job.id 458 job.name {3D AM_6OH cubic amorphous init velocity-NVT 0.2.fs, 2000 to sphere, from job 442} job.description { } job.status finished job.submitted {2025-01-05 16:12:04} job.started {2025-01-05 16:12:05} job.finished {2025-01-06 15:46:00} job.queue 6 job.errormsg {} job.pid 0 job.userid 1 job.priority 5 job.jobserverid 2 data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} nproc 1 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user user} data.script {# # Basic script for running batch jobs # package require logger package require MD::Stage package require MD::TaskManager package require MD.Results package require memory package require MD::Workspace package require jobcontrol package require JobOptions package require base64 package require md5 proc task {args} {} namespace eval ::MD {} logger::setlevel notice set gLog [logger::init MD] ::logger::import -all -prefix "log_" -namespace ::MD MD # # Get the version of the Jobs database in use # set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]] # If we want to start child jobs, we need a jobcontrol object, on the localhost Jobcontrol::JobcontrolProxy ::jobcontrol # # The workspace # set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]] ::MD::Workspace ::workspace ::workspace fromString $tmp # # Any input files? # set lfiles "" if {[catch { set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]] } err_msg]} { error "Failed while getting input files:\n $err_msg" } set linput_files "" foreach elem $lfiles { set fname [file join [pwd] [lindex $elem 0]] set stage_id [lindex $elem 1] set fdata [lindex $elem 2] # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } if {[catch { set fd [open $fname "w"] fconfigure $fd -encoding binary -translation binary puts -nonewline $fd $fdata close $fd } err_msg]} { error "Failed to write Job input file $fname:\n $err_msg" } unset fdata lappend linput_files [list $stage_id $fname] } # # Get info about this job # if {$JobDBVersion < 3.0} { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent 0 } else { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent [lindex $jdata 5] } set ::job::username "" set ::job::queue "" if {[string is integer -strict $::job::userid]} { # Get the username from the user id if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} { set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]] } } if {[string is integer -strict $::job::queueid]} { # Get the queue name from the queue id set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]] } # # Get the nproc option in order to pass it along to subjobs if any # set ::job::nproc 1 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]] foreach {opt_name opt_value} $tmp { if {$opt_name == "nproc"} { set ::job::nproc $opt_value } } # # Set up information about the job in the workspace # ::workspace eval namespace eval ::job [list set id $::job::id] ::workspace eval [list set ::job::parent $::job::parent] ::workspace eval [list set ::job::serverId [info hostname]] ::workspace eval [list set ::job::dir [pwd]] ::workspace eval [list set ::job::name [join $::job::name "_"]] ::workspace eval [list set ::job::queueid $::job::queueid] ::workspace eval [list set ::job::queue $::job::queue] ::workspace eval [list set ::job::userid $::job::userid] ::workspace eval [list set ::job::username $::job::username] ::workspace eval [list set ::job::priority $::job::priority] ::workspace eval [list set ::job::nproc $::job::nproc] # Prepare a list of command to execute from the calling job. ::workspace eval [::list set ::subjob_commands ""] # # And forcefield, if required # set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]] if {[::workspace eval {info exists __fffile}]} { package require MD::FF ::MD::FF ::FF ::FF configure -silent 1 catch { if {$ff_local != ""} { # Load a local forcefield set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]] if {[string range $fname 0 0] == "\{"} { set fname [join $fname] } set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]] if {[string range $fdata 0 0] == "\{"} { set fdata [join $fdata] } # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } set fd [open $fname "w"] puts -nonewline $fd $fdata close $fd ::FF readFF [file join [pwd] $fname] ::FF configure -forcefield $ff_local # Update the workspace for sub-jobs if any ::workspace eval [list set __fffile [::FF fffile]] ::workspace eval [list set __ff $ff_local] } else { # Setup a forcefield from Forcefield.kit set __fffile [::workspace eval {set __fffile}] ::FF readFF $__fffile set __ff [::workspace eval {set __ff}] ::FF configure -forcefield $__ff } set ::FF ::FF set fdata "" # On old JS the ff_file_content might not be available catch {set fdata [::FF ff_file_content]} if {$fdata != ""} { set ffmd5 [::md5::md5 -hex $fdata] unset fdata set cur_ff [::FF cget -forcefield] set cur_file [::FF fffile] puts "\nForcefield set to: $cur_ff\n File: $cur_file \t md5 sum: $ffmd5\n" } } } # # The stages, ignoring everything else like the flowchart # set ok 0 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]] if {[string length $tmp] > 2} { foreach {item data} $tmp { switch $item { "StageHandler" { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } } } else { # No flowchart, but maybe a stagehandler... set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]] if {[string length $data] > 2} { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } unset -nocomplain tmp if {!$ok} { error "Could not find the stage information!" } # # Other tools that we need # ::MD::TaskManager taskmanager if {[file exists Job.xml]} { file delete -force Job.xml } ::MD::Results::Handler Results -file Job.xml # # Finally, do the real work # set stage [stageHandler getInitialStage] $stage configure -workspace ::workspace -workingdirectory [pwd] $stage run 0 # # And save any unsaved results # Results save # # Write down the final workspace if this job was started by another # if {$::job::parent > 0} { set fd [open "final_workspace.txt" "w"] puts $fd [::workspace toString] close $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-246abf9c-b3dd-496e-8895-a151266dae59 MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-246abf9c-b3dd-496e-8895-a151266dae59 Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-variables-8abe6e0a-f879-4757-8979-922ca7631644 out} in,anchor n} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-64068971-3cc0-4f48-84b0-a4858bb7bb61 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-64068971-3cc0-4f48-84b0-a4858bb7bb61 Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-start-d32376e8-1d5f-450d-b6ad-50ffcce52446 out}} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-lammps-stage-93a9c828-8630-4d7e-80d2-947ecdde6c78 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-93a9c828-8630-4d7e-80d2-947ecdde6c78 Options {-zerorotation 0 -autorandom 0 -randomseed 72489 -temperature {$T} -zerotranslation 1 -ff ::fF0 -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-lammps-stage-475ab86e-5b20-41ca-9e7a-1a38c784cc90 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-475ab86e-5b20-41ca-9e7a-1a38c784cc90 Options {-finaltemperature {$T} -trajectorysampling {0 frames} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {2000 ps} -temperaturecontrol Nose-Hoover -dpd_seed 1234567 -initialtemperature {$T} -sampling {10000 samples} -rescaling_interval 100 -berendsen_damping {100.0 fs} -rescaling_fraction 1.0 -nativetrajectory 0 -rescaling_window 20 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-stage-start-d32376e8-1d5f-450d-b6ad-50ffcce52446 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-d32376e8-1d5f-450d-b6ad-50ffcce52446 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-lammps-stage-64068971-3cc0-4f48-84b0-a4858bb7bb61,md-lammps-stage-93a9c828-8630-4d7e-80d2-947ecdde6c78 1 md-stage-start-d32376e8-1d5f-450d-b6ad-50ffcce52446,md-lammps-stage-64068971-3cc0-4f48-84b0-a4858bb7bb61 1 md-lammps-stage-93a9c828-8630-4d7e-80d2-947ecdde6c78,md-lammps-stage-475ab86e-5b20-41ca-9e7a-1a38c784cc90 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-5dd3219e-9589-4f04-a041-7e35d3a87e24 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-5dd3219e-9589-4f04-a041-7e35d3a87e24 Options {-height 120 -selected 0 -description {Temp: $T Time: 2000 ps Step: $tstep Control: Nose-Hoover Sampling: 10000 samples Trajectory: 0 frames} -fill LightBlue -x 104 -width 160 -y 407 -title NVT -stage md-lammps-stage-475ab86e-5b20-41ca-9e7a-1a38c784cc90} } md-flowchart-circle1-af5424b0-04db-49f4-aaa2-4123bfb28af1 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-af5424b0-04db-49f4-aaa2-4123bfb28af1 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-d32376e8-1d5f-450d-b6ad-50ffcce52446} } md-flowchart-oval-4933cada-86fc-45d8-8ba9-d9f07c5fb0dd ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-4933cada-86fc-45d8-8ba9-d9f07c5fb0dd Options {-height 120 -selected 0 -description {3-d periodic Using ReaxFF potential Run LAMMPS on GPU} -fill LightBlue -x 110 -width 160 -y 94 -title Initialize -stage md-lammps-stage-64068971-3cc0-4f48-84b0-a4858bb7bb61} } md-flowchart-rectangle-fabda384-797e-4cd5-a85b-908c55545866 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-fabda384-797e-4cd5-a85b-908c55545866 Options {-height 120 -selected 0 -description {Initial velocities for $T No net translation Random seed: 72489} -fill LightBlue -x 110 -width 160 -y 234 -title velocities -stage md-lammps-stage-93a9c828-8630-4d7e-80d2-947ecdde6c78} } } Connections { md-flowchart-rectangle-fabda384-797e-4cd5-a85b-908c55545866,md-flowchart-rectangle-5dd3219e-9589-4f04-a041-7e35d3a87e24 70 md-flowchart-circle1-af5424b0-04db-49f4-aaa2-4123bfb28af1,md-flowchart-oval-4933cada-86fc-45d8-8ba9-d9f07c5fb0dd 64 md-flowchart-oval-4933cada-86fc-45d8-8ba9-d9f07c5fb0dd,md-flowchart-rectangle-fabda384-797e-4cd5-a85b-908c55545866 76 } } } } md-stage-start-4f8a42ef-fea2-46f5-8f84-afbf6c88934a {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-4f8a42ef-fea2-46f5-8f84-afbf6c88934a Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-variables-8abe6e0a-f879-4757-8979-922ca7631644 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-8abe6e0a-f879-4757-8979-922ca7631644 Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-start-4f8a42ef-fea2-46f5-8f84-afbf6c88934a,md-stage-variables-8abe6e0a-f879-4757-8979-922ca7631644 1 md-stage-variables-8abe6e0a-f879-4757-8979-922ca7631644,md-lammps-stage-246abf9c-b3dd-496e-8895-a151266dae59 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-3c368d75-5bd6-4700-9523-f34286f6b8a8 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-3c368d75-5bd6-4700-9523-f34286f6b8a8 Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-246abf9c-b3dd-496e-8895-a151266dae59} } md-flowchart-circle1-d32b6685-ba1e-4c74-842f-e9cd9a10f785 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-d32b6685-ba1e-4c74-842f-e9cd9a10f785 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-4f8a42ef-fea2-46f5-8f84-afbf6c88934a} } md-flowchart-oval-2cfe14e4-4a36-4d01-ad21-17e24addbc66 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-2cfe14e4-4a36-4d01-ad21-17e24addbc66 Options {-height 120 -selected 0 -description {tstep = 0.2 fs T = 300 K P = 0 atm} -fill #e6eb7a -x 110 -width 160 -y 94 -title Variables -stage md-stage-variables-8abe6e0a-f879-4757-8979-922ca7631644} } } Connections { md-flowchart-circle1-d32b6685-ba1e-4c74-842f-e9cd9a10f785,md-flowchart-oval-2cfe14e4-4a36-4d01-ad21-17e24addbc66 448 md-flowchart-oval-2cfe14e4-4a36-4d01-ad21-17e24addbc66,md-flowchart-rectangle-3c368d75-5bd6-4700-9523-f34286f6b8a8 454 } } } data.workspace {Class ::MD::Workspace Version 1.0 Packages { MD::Db::MaterialsDesign 1.0 MD::Db::ICSD 1.0 MD::Db::COD 1.0 jobcontrol 3.0 Thread 2.8.7 MD::FF 1.0.1 MD::Db 1.1 MD::Db::Pearson 1.0 database 1.0 MD::Db::MetaDb 1.1 MD::Db::NCD 1.0 MD::Db::Pauling 1.0 Utility 1.0 } Variables { scalar ::__ff ReaxFF_CHONFClSi scalar ::__fffile Forcefields.kit::ReaxFF/CHONFClSi.frc scalar ::MedeADb C:/MD/Databases/MedeA.db array ::Units {scalar energy eV} object ::system {::System {@Title amorphous(AM_6OH) @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} FFAtomType string {{}} FFCharge double 0.0 Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 8 {} O 0.0 {0.575637 0.500993 0.496442} O1 1 -1 14 {} Si 0.0 {0.561863 0.508151 0.499745} Si1 2 -1 14 {} Si 0.0 {0.587309 0.497907 0.487156} Si2 3 -1 8 {} O 0.0 {0.584092 0.48321 0.481846} O2 4 -1 1 {} H 0.0 {0.579176 0.559591 0.466091} H1 5 -1 8 {} O 0.0 {0.600567 0.498631 0.495765} O3 6 -1 1 {} H 0.0 {0.601254 0.506311 0.500461} H2 7 -1 8 {} O 0.0 {0.589712 0.505336 0.47406} O4 8 -1 1 {} H 0.0 {0.591623 0.499072 0.467125} H3 9 -1 8 {} O 0.0 {0.552752 0.506574 0.487092} O5 10 -1 1 {} H 0.0 {0.548271 0.515703 0.486002} H4 11 -1 8 {} O 0.0 {0.554134 0.501632 0.511368} O6 12 -1 1 {} H 0.0 {0.59061 0.582256 0.496743} H5 13 -1 8 {} O 0.0 {0.564449 0.522806 0.502067} O7 14 -1 1 {} H 0.0 {0.566232 0.524222 0.511453} H6 15 -1 8 {} O 0.0 {0.364701 0.394439 0.325444} O1 16 -1 14 {} Si 0.0 {0.298684 0.68965 0.467295} Si1 17 -1 14 {} Si 0.0 {0.312974 0.700451 0.453806} Si2 18 -1 8 {} O 0.0 {0.543797 0.431296 0.318071} O2 19 -1 1 {} H 0.0 {0.595469 0.290746 0.437853} H1 20 -1 8 {} O 0.0 {0.512944 0.492016 0.317297} O3 21 -1 1 {} H 0.0 {0.431817 0.477237 0.32872} H2 22 -1 8 {} O 0.0 {0.639907 0.614321 0.617272} O4 23 -1 1 {} H 0.0 {0.641099 0.613137 0.607097} H3 24 -1 8 {} O 0.0 {0.419295 0.596535 0.338164} O5 25 -1 1 {} H 0.0 {0.298253 0.422658 0.550994} H4 26 -1 8 {} O 0.0 {0.319112 0.692549 0.46577} O6 27 -1 1 {} H 0.0 {0.370082 0.402382 0.32522} H5 28 -1 8 {} O 0.0 {0.308434 0.686499 0.449183} O7 29 -1 1 {} H 0.0 {0.63171 0.38795 0.644679} H6 30 -1 8 {} O 0.0 {0.511687 0.379896 0.587542} O1 31 -1 14 {} Si 0.0 {0.50099 0.370831 0.594293} Si1 32 -1 14 {} Si 0.0 {0.52515 0.387315 0.586612} Si2 33 -1 8 {} O 0.0 {0.528869 0.389377 0.571463} O2 34 -1 1 {} H 0.0 {0.523474 0.383 0.567178} H1 35 -1 8 {} O 0.0 {0.536349 0.378544 0.593631} O3 36 -1 1 {} H 0.0 {0.535384 0.369245 0.589976} H2 37 -1 8 {} O 0.0 {0.527514 0.402709 0.591746} O4 38 -1 1 {} H 0.0 {0.555782 0.431176 0.630922} H3 39 -1 8 {} O 0.0 {0.4917 0.379619 0.60334} O5 40 -1 1 {} H 0.0 {0.492717 0.388931 0.600222} H4 41 -1 8 {} O 0.0 {0.491929 0.363965 0.583492} O6 42 -1 1 {} H 0.0 {0.611126 0.377043 0.595197} H5 43 -1 8 {} O 0.0 {0.507074 0.361281 0.604605} O7 44 -1 1 {} H 0.0 {0.515318 0.365253 0.607717} H6 45 -1 8 {} O 0.0 {0.552753 0.621848 0.503666} O1 46 -1 14 {} Si 0.0 {0.562427 0.621235 0.491522} Si1 47 -1 14 {} Si 0.0 {0.548222 0.625421 0.51783} Si2 48 -1 8 {} O 0.0 {0.53372 0.618476 0.519402} O2 49 -1 1 {} H 0.0 {0.531194 0.61424 0.510742} H1 50 -1 8 {} O 0.0 {0.543764 0.639904 0.519365} O3 51 -1 1 {} H 0.0 {0.534802 0.640452 0.523503} H2 52 -1 8 {} O 0.0 {0.559049 0.619356 0.527225} O4 53 -1 1 {} H 0.0 {0.556607 0.609697 0.52982} H3 54 -1 8 {} O 0.0 {0.555567 0.620648 0.477745} O5 55 -1 1 {} H 0.0 {0.546889 0.62474 0.478867} H4 56 -1 8 {} O 0.0 {0.571677 0.63345 0.492628} O6 57 -1 1 {} H 0.0 {0.581091 0.630099 0.49282} H5 58 -1 8 {} O 0.0 {0.571137 0.608099 0.492593} O7 59 -1 1 {} H 0.0 {0.569832 0.603059 0.484687} H6 60 -1 8 {} O 0.0 {0.364269 0.623347 0.555447} O1 61 -1 14 {} Si 0.0 {0.349925 0.626519 0.553409} Si1 62 -1 14 {} Si 0.0 {0.379264 0.618958 0.555291} Si2 63 -1 8 {} O 0.0 {0.380445 0.606437 0.54589} O2 64 -1 1 {} H 0.0 {0.515109 0.543269 0.656147} H1 65 -1 8 {} O 0.0 {0.382421 0.613114 0.569728} O3 66 -1 1 {} H 0.0 {0.413192 0.482369 0.58697} H2 67 -1 8 {} O 0.0 {0.38934 0.629528 0.550179} O4 68 -1 1 {} H 0.0 {0.397517 0.62932 0.555915} H3 69 -1 8 {} O 0.0 {0.349705 0.64245 0.552906} O5 70 -1 1 {} H 0.0 {0.342382 0.64555 0.546461} H4 71 -1 8 {} O 0.0 {0.347117 0.621512 0.538881} O6 72 -1 1 {} H 0.0 {0.354715 0.620466 0.533807} H5 73 -1 8 {} O 0.0 {0.338765 0.61476 0.56547} O7 74 -1 1 {} H 0.0 {0.342276 0.615596 0.575114} H6 75 -1 8 {} O 0.0 {0.533519 0.584395 0.517819} O1 76 -1 14 {} Si 0.0 {0.523269 0.584112 0.506294} Si1 77 -1 14 {} Si 0.0 {0.53932 0.581858 0.532106} Si2 78 -1 8 {} O 0.0 {0.549459 0.590596 0.53985} O2 79 -1 1 {} H 0.0 {0.556211 0.585134 0.54447} H1 80 -1 8 {} O 0.0 {0.546581 0.568126 0.532496} O3 81 -1 1 {} H 0.0 {0.55337 0.568134 0.525387} H2 82 -1 8 {} O 0.0 {0.52689 0.582172 0.541965} O4 83 -1 1 {} H 0.0 {0.520902 0.588465 0.538268} H3 84 -1 8 {} O 0.0 {0.509194 0.58291 0.511907} O5 85 -1 1 {} H 0.0 {0.505669 0.589772 0.51665} H4 86 -1 8 {} O 0.0 {0.522815 0.59859 0.500109} O6 87 -1 1 {} H 0.0 {0.521145 0.59793 0.490174} H5 88 -1 8 {} O 0.0 {0.524884 0.575736 0.493128} O7 89 -1 1 {} H 0.0 {0.518952 0.568493 0.492865} H6 90 -1 8 {} O 0.0 {0.389605 0.332348 0.547071} O1 91 -1 14 {} Si 0.0 {0.393596 0.322731 0.535712} Si1 92 -1 14 {} Si 0.0 {0.388424 0.335297 0.562572} Si2 93 -1 8 {} O 0.0 {0.38555 0.321981 0.569789} O2 94 -1 1 {} H 0.0 {0.387834 0.314583 0.564308} H1 95 -1 8 {} O 0.0 {0.375201 0.344457 0.56448} O3 96 -1 1 {} H 0.0 {0.37095 0.344409 0.555731} H2 97 -1 8 {} O 0.0 {0.400394 0.344617 0.566042} O4 98 -1 1 {} H 0.0 {0.401337 0.352577 0.559511} H3 99 -1 8 {} O 0.0 {0.405564 0.326815 0.52644} O5 100 -1 1 {} H 0.0 {0.676726 0.446985 0.616421} H4 101 -1 8 {} O 0.0 {0.39781 0.30807 0.541064} O6 102 -1 1 {} H 0.0 {0.404021 0.304601 0.534979} H5 103 -1 8 {} O 0.0 {0.380522 0.320184 0.527942} O7 104 -1 1 {} H 0.0 {0.317909 0.613085 0.441955} H6 105 -1 8 {} O 0.0 {0.563338 0.490722 0.684735} O1 106 -1 14 {} Si 0.0 {0.560201 0.500252 0.697187} Si1 107 -1 14 {} Si 0.0 {0.563591 0.476965 0.678292} Si2 108 -1 8 {} O 0.0 {0.568929 0.478555 0.663865} O2 109 -1 1 {} H 0.0 {0.562138 0.475117 0.657234} H1 110 -1 8 {} O 0.0 {0.549353 0.470055 0.68011} O3 111 -1 1 {} H 0.0 {0.55109 0.461003 0.68276} H2 112 -1 8 {} O 0.0 {0.575199 0.469011 0.684973} O4 113 -1 1 {} H 0.0 {0.61859 0.471341 0.671039} H3 114 -1 8 {} O 0.0 {0.569038 0.498978 0.709442} O5 115 -1 1 {} H 0.0 {0.59293 0.458209 0.65179} H4 116 -1 8 {} O 0.0 {0.565197 0.514876 0.693806} O6 117 -1 1 {} H 0.0 {0.558622 0.52097 0.697302} H5 118 -1 8 {} O 0.0 {0.545596 0.500638 0.701308} O7 119 -1 1 {} H 0.0 {0.594163 0.614706 0.686766} H6 120 -1 8 {} O 0.0 {0.513451 0.274247 0.412103} O1 121 -1 14 {} Si 0.0 {0.522205 0.286606 0.408245} Si1 122 -1 14 {} Si 0.0 {0.500255 0.267412 0.417185} Si2 123 -1 8 {} O 0.0 {0.490364 0.277861 0.423849} O2 124 -1 1 {} H 0.0 {0.49199 0.286762 0.419792} H1 125 -1 8 {} O 0.0 {0.505539 0.258082 0.428766} O3 126 -1 1 {} H 0.0 {0.51495 0.25869 0.430454} H2 127 -1 8 {} O 0.0 {0.490581 0.261658 0.406457} O4 128 -1 1 {} H 0.0 {0.540897 0.248282 0.460838} H3 129 -1 8 {} O 0.0 {0.522013 0.289113 0.392427} O5 130 -1 1 {} H 0.0 {0.577196 0.333516 0.415537} H4 131 -1 8 {} O 0.0 {0.516693 0.298858 0.41616} O6 132 -1 1 {} H 0.0 {0.568758 0.290904 0.462375} H5 133 -1 8 {} O 0.0 {0.537303 0.283456 0.411993} O7 134 -1 1 {} H 0.0 {0.538018 0.274124 0.41473} H6 135 -1 8 {} O 0.0 {0.299306 0.586694 0.4245} O1 136 -1 14 {} Si 0.0 {0.606863 0.496962 0.683014} Si1 137 -1 14 {} Si 0.0 {0.314945 0.453254 0.390286} Si2 138 -1 8 {} O 0.0 {0.311344 0.446163 0.403871} O2 139 -1 1 {} H 0.0 {0.30956 0.452738 0.410639} H1 140 -1 8 {} O 0.0 {0.315666 0.469033 0.390671} O3 141 -1 1 {} H 0.0 {0.351106 0.483705 0.381584} H2 142 -1 8 {} O 0.0 {0.304082 0.450929 0.379179} O4 143 -1 1 {} H 0.0 {0.340051 0.530489 0.356841} H3 144 -1 8 {} O 0.0 {0.620545 0.494215 0.673951} O5 145 -1 1 {} H 0.0 {0.431285 0.5762 0.278432} H4 146 -1 8 {} O 0.0 {0.601125 0.482087 0.682482} O6 147 -1 1 {} H 0.0 {0.618082 0.495878 0.664847} H5 148 -1 8 {} O 0.0 {0.453313 0.336048 0.50589} O7 149 -1 1 {} H 0.0 {0.592305 0.431546 0.510101} H6 150 -1 8 {} O 0.0 {0.323265 0.653556 0.515087} O1 151 -1 14 {} Si 0.0 {0.320847 0.666175 0.506501} Si1 152 -1 14 {} Si 0.0 {0.317573 0.640672 0.522396} Si2 153 -1 8 {} O 0.0 {0.303058 0.639649 0.516898} O2 154 -1 1 {} H 0.0 {0.354139 0.530628 0.335143} H1 155 -1 8 {} O 0.0 {0.31776 0.64408 0.537853} O3 156 -1 1 {} H 0.0 {0.310046 0.649544 0.539729} H2 157 -1 8 {} O 0.0 {0.326784 0.628432 0.518812} O4 158 -1 1 {} H 0.0 {0.333446 0.627766 0.526107} H3 159 -1 8 {} O 0.0 {0.331205 0.677377 0.508619} O5 160 -1 1 {} H 0.0 {0.337096 0.678159 0.501313} H4 161 -1 8 {} O 0.0 {0.316927 0.662867 0.491973} O6 162 -1 1 {} H 0.0 {0.32353 0.656964 0.48879} H5 163 -1 8 {} O 0.0 {0.307337 0.672724 0.51134} O7 164 -1 1 {} H 0.0 {0.304404 0.680072 0.506855} H6 165 -1 8 {} O 0.0 {0.371075 0.479068 0.673949} O1 166 -1 14 {} Si 0.0 {0.364312 0.480329 0.660364} Si1 167 -1 14 {} Si 0.0 {0.376666 0.48403 0.687588} Si2 168 -1 8 {} O 0.0 {0.383377 0.498024 0.686934} O2 169 -1 1 {} H 0.0 {0.39217 0.49676 0.682177} H1 170 -1 8 {} O 0.0 {0.387111 0.472964 0.691847} O3 171 -1 1 {} H 0.0 {0.386839 0.465762 0.685289} H2 172 -1 8 {} O 0.0 {0.365508 0.483746 0.698299} O4 173 -1 1 {} H 0.0 {0.602032 0.577963 0.687951} H3 174 -1 8 {} O 0.0 {0.358916 0.46665 0.655771} O5 175 -1 1 {} H 0.0 {0.364421 0.462641 0.649351} H4 176 -1 8 {} O 0.0 {0.351849 0.489107 0.662046} O6 177 -1 1 {} H 0.0 {0.343981 0.483554 0.660706} H5 178 -1 8 {} O 0.0 {0.374308 0.485296 0.649818} O7 179 -1 1 {} H 0.0 {0.372189 0.494866 0.647419} H6 180 -1 8 {} O 0.0 {0.434158 0.334462 0.381385} O1 181 -1 14 {} Si 0.0 {0.440091 0.343758 0.370169} Si1 182 -1 14 {} Si 0.0 {0.431453 0.32034 0.387325} Si2 183 -1 8 {} O 0.0 {0.430655 0.319107 0.402937} O2 184 -1 1 {} H 0.0 {0.350882 0.33662 0.397458} H1 185 -1 8 {} O 0.0 {0.441952 0.310575 0.381324} O3 186 -1 1 {} H 0.0 {0.450257 0.315621 0.379725} H2 187 -1 8 {} O 0.0 {0.417462 0.314765 0.383851} O4 188 -1 1 {} H 0.0 {0.419094 0.306934 0.378007} H3 189 -1 8 {} O 0.0 {0.433348 0.344315 0.355919} O5 190 -1 1 {} H 0.0 {0.432208 0.35353 0.353094} H4 191 -1 8 {} O 0.0 {0.438759 0.358026 0.375562} O6 192 -1 1 {} H 0.0 {0.467529 0.304927 0.483616} H5 193 -1 8 {} O 0.0 {0.455116 0.339975 0.369095} O7 194 -1 1 {} H 0.0 {0.459378 0.341412 0.378975} H6 195 -1 8 {} O 0.0 {0.275373 0.460748 0.422048} O1 196 -1 14 {} Si 0.0 {0.285576 0.465609 0.433147} Si1 197 -1 14 {} Si 0.0 {0.412453 0.589596 0.325886} Si2 198 -1 8 {} O 0.0 {0.396893 0.592567 0.323538} O2 199 -1 1 {} H 0.0 {0.376567 0.600649 0.352506} H1 200 -1 8 {} O 0.0 {0.413269 0.574085 0.329159} O3 201 -1 1 {} H 0.0 {0.534685 0.473602 0.311709} H2 202 -1 8 {} O 0.0 {0.503404 0.652459 0.416449} O4 203 -1 1 {} H 0.0 {0.512059 0.649107 0.416223} H3 204 -1 8 {} O 0.0 {0.286998 0.481295 0.433688} O5 205 -1 1 {} H 0.0 {0.376219 0.548219 0.502018} H4 206 -1 8 {} O 0.0 {0.278812 0.460929 0.446471} O6 207 -1 1 {} H 0.0 {0.315913 0.543188 0.402642} H5 208 -1 8 {} O 0.0 {0.299454 0.458308 0.431053} O7 209 -1 1 {} H 0.0 {0.626621 0.30724 0.452631} H6 210 -1 8 {} O 0.0 {0.666713 0.517986 0.556126} O1 211 -1 14 {} Si 0.0 {0.681544 0.521216 0.555858} Si1 212 -1 14 {} Si 0.0 {0.652734 0.511953 0.557148} Si2 213 -1 8 {} O 0.0 {0.644752 0.515323 0.544124} O2 214 -1 1 {} H 0.0 {0.635349 0.516796 0.545488} H1 215 -1 8 {} O 0.0 {0.642793 0.521687 0.572006} O3 216 -1 1 {} H 0.0 {0.636351 0.526427 0.57647} H2 217 -1 8 {} O 0.0 {0.653909 0.495478 0.55839} O4 218 -1 1 {} H 0.0 {0.661209 0.492452 0.552726} H3 219 -1 8 {} O 0.0 {0.688595 0.509584 0.548628} O5 220 -1 1 {} H 0.0 {0.688567 0.511207 0.538965} H4 221 -1 8 {} O 0.0 {0.684372 0.540202 0.547913} O6 222 -1 1 {} H 0.0 {0.676908 0.546407 0.551945} H5 223 -1 8 {} O 0.0 {0.6843 0.519874 0.57097} O7 224 -1 1 {} H 0.0 {0.68231 0.510409 0.573769} H6 225 -1 8 {} O 0.0 {0.308119 0.597437 0.481713} O1 226 -1 14 {} Si 0.0 {0.499396 0.28603 0.517086} Si1 227 -1 14 {} Si 0.0 {0.314668 0.59171 0.468799} Si2 228 -1 8 {} O 0.0 {0.325208 0.581948 0.474374} O2 229 -1 1 {} H 0.0 {0.343683 0.66238 0.523001} H1 230 -1 8 {} O 0.0 {0.319843 0.603097 0.458974} O3 231 -1 1 {} H 0.0 {0.323155 0.563611 0.437079} H2 232 -1 8 {} O 0.0 {0.303847 0.583685 0.460776} O4 233 -1 1 {} H 0.0 {0.359591 0.578833 0.533261} H3 234 -1 8 {} O 0.0 {0.489144 0.276707 0.525055} O5 235 -1 1 {} H 0.0 {0.48001 0.27628 0.519967} H4 236 -1 8 {} O 0.0 {0.655658 0.437742 0.67156} O6 237 -1 1 {} H 0.0 {0.653282 0.448414 0.681028} H5 238 -1 8 {} O 0.0 {0.506006 0.28029 0.504007} O7 239 -1 1 {} H 0.0 {0.512586 0.287049 0.500465} H6 240 -1 8 {} O 0.0 {0.375553 0.4282 0.47833} O1 241 -1 14 {} Si 0.0 {0.364861 0.417271 0.47432} Si1 242 -1 14 {} Si 0.0 {0.384233 0.437576 0.487028} Si2 243 -1 8 {} O 0.0 {0.378423 0.441478 0.501503} O2 244 -1 1 {} H 0.0 {0.385064 0.437498 0.507674} H1 245 -1 8 {} O 0.0 {0.3874 0.450845 0.479498} O3 246 -1 1 {} H 0.0 {0.395974 0.454698 0.481778} H2 247 -1 8 {} O 0.0 {0.397698 0.429639 0.487535} O4 248 -1 1 {} H 0.0 {0.396633 0.419959 0.487749} H3 249 -1 8 {} O 0.0 {0.356855 0.412031 0.486832} O5 250 -1 1 {} H 0.0 {0.363058 0.408891 0.49398} H4 251 -1 8 {} O 0.0 {0.356442 0.423998 0.462636} O6 252 -1 1 {} H 0.0 {0.359779 0.422387 0.453894} H5 253 -1 8 {} O 0.0 {0.373605 0.404926 0.468095} O7 254 -1 1 {} H 0.0 {0.280207 0.41377 0.411217} H6 255 -1 8 {} O 0.0 {0.291381 0.525603 0.385512} O1 256 -1 14 {} Si 0.0 {0.303027 0.535645 0.387415} Si1 257 -1 14 {} Si 0.0 {0.284574 0.511316 0.384378} Si2 258 -1 8 {} O 0.0 {0.294573 0.502668 0.376389} O2 259 -1 1 {} H 0.0 {0.302828 0.507943 0.37393} H1 260 -1 8 {} O 0.0 {0.271396 0.511605 0.37589} O3 261 -1 1 {} H 0.0 {0.298829 0.38313 0.452221} H2 262 -1 8 {} O 0.0 {0.284461 0.502618 0.39679} O4 263 -1 1 {} H 0.0 {0.300652 0.44978 0.435237} H3 264 -1 8 {} O 0.0 {0.29986 0.549142 0.379999} O5 265 -1 1 {} H 0.0 {0.278189 0.450914 0.447648} H4 266 -1 8 {} O 0.0 {0.435515 0.559012 0.495937} O6 267 -1 1 {} H 0.0 {0.444672 0.561568 0.49686} H5 268 -1 8 {} O 0.0 {0.306366 0.539049 0.402245} O7 269 -1 1 {} H 0.0 {0.35197 0.493779 0.331149} H6 270 -1 8 {} O 0.0 {0.573341 0.391402 0.585569} O1 271 -1 14 {} Si 0.0 {0.578273 0.392565 0.599946} Si1 272 -1 14 {} Si 0.0 {0.570151 0.393499 0.570604} Si2 273 -1 8 {} O 0.0 {0.581595 0.402223 0.564415} O2 274 -1 1 {} H 0.0 {0.579969 0.402014 0.554697} H1 275 -1 8 {} O 0.0 {0.556282 0.401667 0.569266} O3 276 -1 1 {} H 0.0 {0.548818 0.395953 0.571632} H2 277 -1 8 {} O 0.0 {0.568007 0.381153 0.562085} O4 278 -1 1 {} H 0.0 {0.573778 0.382063 0.553795} H3 279 -1 8 {} O 0.0 {0.590672 0.401797 0.60039} O5 280 -1 1 {} H 0.0 {0.595819 0.402245 0.592203} H4 281 -1 8 {} O 0.0 {0.567641 0.400877 0.60831} O6 282 -1 1 {} H 0.0 {0.569324 0.410511 0.607935} H5 283 -1 8 {} O 0.0 {0.582478 0.379419 0.607043} O7 284 -1 1 {} H 0.0 {0.58819 0.374732 0.601961} H6 285 -1 8 {} O 0.0 {0.630788 0.507463 0.334093} O1 286 -1 14 {} Si 0.0 {0.64067 0.499344 0.325579} Si1 287 -1 14 {} Si 0.0 {0.617416 0.515062 0.338421} Si2 288 -1 8 {} O 0.0 {0.604736 0.506089 0.335751} O2 289 -1 1 {} H 0.0 {0.609139 0.492207 0.336871} H1 290 -1 8 {} O 0.0 {0.615159 0.528931 0.331167} O3 291 -1 1 {} H 0.0 {0.60895 0.529415 0.323785} H2 292 -1 8 {} O 0.0 {0.615684 0.514698 0.35436} O4 293 -1 1 {} H 0.0 {0.555197 0.462871 0.259299} H3 294 -1 8 {} O 0.0 {0.638802 0.484865 0.331073} O5 295 -1 1 {} H 0.0 {0.589428 0.647333 0.382175} H4 296 -1 8 {} O 0.0 {0.635706 0.498233 0.310762} O6 297 -1 1 {} H 0.0 {0.631341 0.4897 0.309286} H5 298 -1 8 {} O 0.0 {0.6544 0.505593 0.329478} O7 299 -1 1 {} H 0.0 {0.571052 0.551083 0.384853} H6 300 -1 8 {} O 0.0 {0.487167 0.608346 0.392659} O1 301 -1 14 {} Si 0.0 {0.49739 0.614795 0.403129} Si1 302 -1 14 {} Si 0.0 {0.476947 0.610321 0.380828} Si2 303 -1 8 {} O 0.0 {0.464481 0.600923 0.382003} O2 304 -1 1 {} H 0.0 {0.467217 0.59212 0.384453} H1 305 -1 8 {} O 0.0 {0.485005 0.60629 0.368003} O3 306 -1 1 {} H 0.0 {0.47837 0.605365 0.360796} H2 307 -1 8 {} O 0.0 {0.47064 0.624478 0.378764} O4 308 -1 1 {} H 0.0 {0.477279 0.630722 0.375575} H3 309 -1 8 {} O 0.0 {0.489353 0.624025 0.412811} O5 310 -1 1 {} H 0.0 {0.483905 0.618092 0.41898} H4 311 -1 8 {} O 0.0 {0.503907 0.601515 0.40824} O6 312 -1 1 {} H 0.0 {0.568299 0.525255 0.330187} H5 313 -1 8 {} O 0.0 {0.509083 0.622425 0.396239} O7 314 -1 1 {} H 0.0 {0.514027 0.616916 0.390624} H6 315 -1 8 {} O 0.0 {0.347679 0.606267 0.634088} O1 316 -1 14 {} Si 0.0 {0.345109 0.621466 0.6352} Si1 317 -1 14 {} Si 0.0 {0.344705 0.591251 0.636532} Si2 318 -1 8 {} O 0.0 {0.350126 0.586897 0.65024} O2 319 -1 1 {} H 0.0 {0.358926 0.590194 0.651884} H1 320 -1 8 {} O 0.0 {0.351634 0.58475 0.624594} O3 321 -1 1 {} H 0.0 {0.387181 0.626442 0.65419} H2 322 -1 8 {} O 0.0 {0.329895 0.587827 0.635494} O4 323 -1 1 {} H 0.0 {0.32841 0.578819 0.632639} H3 324 -1 8 {} O 0.0 {0.339649 0.626576 0.648963} O5 325 -1 1 {} H 0.0 {0.345653 0.632492 0.652815} H4 326 -1 8 {} O 0.0 {0.359364 0.628435 0.635301} O6 327 -1 1 {} H 0.0 {0.366614 0.621848 0.635121} H5 328 -1 8 {} O 0.0 {0.339753 0.628734 0.62214} O7 329 -1 1 {} H 0.0 {0.340587 0.622976 0.61519} H6 330 -1 8 {} O 0.0 {0.390405 0.406378 0.649746} O1 331 -1 14 {} Si 0.0 {0.387301 0.407916 0.66468} Si1 332 -1 14 {} Si 0.0 {0.395246 0.43695 0.668792} Si2 333 -1 8 {} O 0.0 {0.408449 0.340604 0.418218} O2 334 -1 1 {} H 0.0 {0.521137 0.57877 0.622031} H1 335 -1 8 {} O 0.0 {0.39904 0.44305 0.65427} O3 336 -1 1 {} H 0.0 {0.379406 0.46761 0.570364} H2 337 -1 8 {} O 0.0 {0.389648 0.422516 0.668846} O4 338 -1 1 {} H 0.0 {0.567477 0.377756 0.362719} H3 339 -1 8 {} O 0.0 {0.46636 0.419957 0.52409} O5 340 -1 1 {} H 0.0 {0.443817 0.435832 0.496141} H4 341 -1 8 {} O 0.0 {0.398013 0.397948 0.670839} O6 342 -1 1 {} H 0.0 {0.386348 0.44128 0.687009} H5 343 -1 8 {} O 0.0 {0.373854 0.401919 0.669363} O7 344 -1 1 {} H 0.0 {0.336373 0.367054 0.428815} H6 345 -1 8 {} O 0.0 {0.474419 0.347538 0.471782} O1 346 -1 14 {} Si 0.0 {0.489913 0.346791 0.474393} Si1 347 -1 14 {} Si 0.0 {0.45988 0.344197 0.468388} Si2 348 -1 8 {} O 0.0 {0.4649 0.626761 0.546065} O2 349 -1 1 {} H 0.0 {0.294241 0.596318 0.448487} H1 350 -1 8 {} O 0.0 {0.453731 0.333066 0.47795} O3 351 -1 1 {} H 0.0 {0.417036 0.296338 0.512426} H2 352 -1 8 {} O 0.0 {0.450974 0.357181 0.47136} O4 353 -1 1 {} H 0.0 {0.431297 0.565601 0.489776} H3 354 -1 8 {} O 0.0 {0.493772 0.334439 0.465985} O5 355 -1 1 {} H 0.0 {0.506576 0.333704 0.42604} H4 356 -1 8 {} O 0.0 {0.497913 0.358877 0.468198} O6 357 -1 1 {} H 0.0 {0.493657 0.367108 0.470324} H5 358 -1 8 {} O 0.0 {0.494011 0.344669 0.489651} O7 359 -1 1 {} H 0.0 {0.491105 0.335479 0.493216} H6 360 -1 8 {} O 0.0 {0.36367 0.53202 0.618555} O1 361 -1 14 {} Si 0.0 {0.365638 0.53415 0.602513} Si1 362 -1 14 {} Si 0.0 {0.35797 0.535612 0.632213} Si2 363 -1 8 {} O 0.0 {0.3431 0.535211 0.631474} O2 364 -1 1 {} H 0.0 {0.339347 0.529151 0.637784} H1 365 -1 8 {} O 0.0 {0.361689 0.550303 0.636692} O3 366 -1 1 {} H 0.0 {0.360614 0.556288 0.628838} H2 367 -1 8 {} O 0.0 {0.363904 0.525996 0.643427} O4 368 -1 1 {} H 0.0 {0.261022 0.584515 0.491576} H3 369 -1 8 {} O 0.0 {0.584665 0.634984 0.529118} O5 370 -1 1 {} H 0.0 {0.587947 0.631633 0.520465} H4 371 -1 8 {} O 0.0 {0.380153 0.539468 0.59724} O6 372 -1 1 {} H 0.0 {0.383886 0.533095 0.591555} H5 373 -1 8 {} O 0.0 {0.361942 0.520477 0.595344} O7 374 -1 1 {} H 0.0 {0.572154 0.539521 0.704506} H6 375 -1 8 {} O 0.0 {0.563358 0.337526 0.48509} O1 376 -1 14 {} Si 0.0 {0.558987 0.323048 0.489361} Si1 377 -1 14 {} Si 0.0 {0.575693 0.345513 0.478472} Si2 378 -1 8 {} O 0.0 {0.618184 0.360255 0.449917} O2 379 -1 1 {} H 0.0 {0.617258 0.36636 0.442344} H1 380 -1 8 {} O 0.0 {0.585761 0.352972 0.489332} O3 381 -1 1 {} H 0.0 {0.594721 0.348987 0.489021} H2 382 -1 8 {} O 0.0 {0.571371 0.35344 0.466085} O4 383 -1 1 {} H 0.0 {0.563067 0.35787 0.467331} H3 384 -1 8 {} O 0.0 {0.569722 0.314612 0.481446} O5 385 -1 1 {} H 0.0 {0.536257 0.330155 0.390372} H4 386 -1 8 {} O 0.0 {0.684063 0.428658 0.593714} O6 387 -1 1 {} H 0.0 {0.544964 0.474574 0.260362} H5 388 -1 8 {} O 0.0 {0.54635 0.465785 0.256156} O7 389 -1 1 {} H 0.0 {0.590474 0.502004 0.333699} H6 390 -1 8 {} O 0.0 {0.58608 0.557856 0.494722} O1 391 -1 14 {} Si 0.0 {0.585561 0.548458 0.481927} Si1 392 -1 14 {} Si 0.0 {0.580841 0.566802 0.50602} Si2 393 -1 8 {} O 0.0 {0.564853 0.569169 0.509479} O2 394 -1 1 {} H 0.0 {0.55978 0.569558 0.501332} H1 395 -1 8 {} O 0.0 {0.584674 0.581729 0.50401} O3 396 -1 1 {} H 0.0 {0.57779 0.478918 0.488845} H2 397 -1 8 {} O 0.0 {0.589407 0.562348 0.518466} O4 398 -1 1 {} H 0.0 {0.597784 0.558028 0.516399} H3 399 -1 8 {} O 0.0 {0.587847 0.557256 0.469454} O5 400 -1 1 {} H 0.0 {0.536616 0.578727 0.398381} H4 401 -1 8 {} O 0.0 {0.59514 0.535216 0.481363} O6 402 -1 1 {} H 0.0 {0.58955 0.528203 0.478628} H5 403 -1 8 {} O 0.0 {0.571548 0.541463 0.480097} O7 404 -1 1 {} H 0.0 {0.567027 0.537691 0.488134} H6 405 -1 8 {} O 0.0 {0.665748 0.544007 0.524114} O1 406 -1 14 {} Si 0.0 {0.657078 0.55367 0.514863} Si1 407 -1 14 {} Si 0.0 {0.678782 0.537066 0.528118} Si2 408 -1 8 {} O 0.0 {0.716438 0.54205 0.511309} O2 409 -1 1 {} H 0.0 {0.715357 0.532532 0.512523} H1 410 -1 8 {} O 0.0 {0.679878 0.521763 0.524649} O3 411 -1 1 {} H 0.0 {0.671535 0.518261 0.522098} H2 412 -1 8 {} O 0.0 {0.68938 0.542225 0.51781} O4 413 -1 1 {} H 0.0 {0.680269 0.607571 0.520326} H3 414 -1 8 {} O 0.0 {0.662565 0.568116 0.517747} O5 415 -1 1 {} H 0.0 {0.656157 0.574941 0.517405} H4 416 -1 8 {} O 0.0 {0.65839 0.550982 0.499153} O6 417 -1 1 {} H 0.0 {0.649885 0.549986 0.495732} H5 418 -1 8 {} O 0.0 {0.642317 0.551259 0.518668} O7 419 -1 1 {} H 0.0 {0.641895 0.550563 0.528181} H6 420 -1 8 {} O 0.0 {0.661876 0.467205 0.633815} O1 421 -1 14 {} Si 0.0 {0.660643 0.45845 0.646599} Si1 422 -1 14 {} Si 0.0 {0.666747 0.473089 0.619833} Si2 423 -1 8 {} O 0.0 {0.673834 0.487231 0.621526} O2 424 -1 1 {} H 0.0 {0.668251 0.494669 0.618181} H1 425 -1 8 {} O 0.0 {0.654753 0.476167 0.610059} O3 426 -1 1 {} H 0.0 {0.618245 0.438695 0.597922} H2 427 -1 8 {} O 0.0 {0.678753 0.464585 0.611334} O4 428 -1 1 {} H 0.0 {0.685989 0.470279 0.609136} H3 429 -1 8 {} O 0.0 {0.647274 0.449902 0.644842} O5 430 -1 1 {} H 0.0 {0.644851 0.44809 0.635443} H4 431 -1 8 {} O 0.0 {0.671484 0.447087 0.647573} O6 432 -1 1 {} H 0.0 {0.679202 0.449008 0.641771} H5 433 -1 8 {} O 0.0 {0.660138 0.468932 0.658096} O7 434 -1 1 {} H 0.0 {0.658449 0.478027 0.654336} H6 435 -1 8 {} O 0.0 {0.408218 0.565865 0.529706} O1 436 -1 14 {} Si 0.0 {0.399221 0.557519 0.539375} Si1 437 -1 14 {} Si 0.0 {0.411932 0.57757 0.520165} Si2 438 -1 8 {} O 0.0 {0.405971 0.591564 0.525369} O2 439 -1 1 {} H 0.0 {0.397642 0.592578 0.520824} H1 440 -1 8 {} O 0.0 {0.402259 0.573789 0.507658} O3 441 -1 1 {} H 0.0 {0.339407 0.663837 0.435439} H2 442 -1 8 {} O 0.0 {0.426016 0.577657 0.513891} O4 443 -1 1 {} H 0.0 {0.427425 0.571396 0.506363} H3 444 -1 8 {} O 0.0 {0.405207 0.550227 0.552366} O5 445 -1 1 {} H 0.0 {0.400656 0.553659 0.560659} H4 446 -1 8 {} O 0.0 {0.389237 0.567218 0.546079} O6 447 -1 1 {} H 0.0 {0.380322 0.565059 0.542613} H5 448 -1 8 {} O 0.0 {0.38994 0.547486 0.531338} O7 449 -1 1 {} H 0.0 {0.350856 0.527754 0.528618} H6 450 -1 8 {} O 0.0 {0.439362 0.46897 0.297105} O1 451 -1 14 {} Si 0.0 {0.441156 0.467142 0.281898} Si1 452 -1 14 {} Si 0.0 {0.443775 0.474219 0.311022} Si2 453 -1 8 {} O 0.0 {0.458196 0.470099 0.313964} O2 454 -1 1 {} H 0.0 {0.480897 0.42887 0.314004} H1 455 -1 8 {} O 0.0 {0.433712 0.470435 0.321705} O3 456 -1 1 {} H 0.0 {0.359853 0.559295 0.349562} H2 457 -1 8 {} O 0.0 {0.444566 0.490045 0.309886} O4 458 -1 1 {} H 0.0 {0.419646 0.4216 0.352873} H3 459 -1 8 {} O 0.0 {0.431676 0.455682 0.276314} O5 460 -1 1 {} H 0.0 {0.425661 0.452955 0.283309} H4 461 -1 8 {} O 0.0 {0.521562 0.697651 0.547931} O6 462 -1 1 {} H 0.0 {0.524463 0.695992 0.556931} H5 463 -1 8 {} O 0.0 {0.436198 0.48058 0.274806} O7 464 -1 1 {} H 0.0 {0.451168 0.4449 0.355908} H6 465 -1 8 {} O 0.0 {0.540768 0.364084 0.415746} O1 466 -1 14 {} Si 0.0 {0.548579 0.358583 0.428505} Si1 467 -1 14 {} Si 0.0 {0.534414 0.370161 0.402163} Si2 468 -1 8 {} O 0.0 {0.519701 0.375846 0.405406} O2 469 -1 1 {} H 0.0 {0.588886 0.379775 0.384803} H1 470 -1 8 {} O 0.0 {0.533736 0.360768 0.389593} O3 471 -1 1 {} H 0.0 {0.526485 0.354327 0.390784} H2 472 -1 8 {} O 0.0 {0.540785 0.383017 0.398281} O4 473 -1 1 {} H 0.0 {0.263316 0.430005 0.473172} H3 474 -1 8 {} O 0.0 {0.540734 0.345131 0.43253} O5 475 -1 1 {} H 0.0 {0.586118 0.328526 0.38127} H4 476 -1 8 {} O 0.0 {0.564018 0.357656 0.425774} O6 477 -1 1 {} H 0.0 {0.569745 0.361581 0.432232} H5 478 -1 8 {} O 0.0 {0.545508 0.36939 0.438987} O7 479 -1 1 {} H 0.0 {0.545069 0.378648 0.435485} H6 480 -1 8 {} O 0.0 {0.428114 0.627833 0.343543} O1 481 -1 14 {} Si 0.0 {0.485563 0.313219 0.512394} Si1 482 -1 14 {} Si 0.0 {0.414968 0.633707 0.337448} Si2 483 -1 8 {} O 0.0 {0.417283 0.639512 0.323192} O2 484 -1 1 {} H 0.0 {0.471976 0.361943 0.416282} H1 485 -1 8 {} O 0.0 {0.411258 0.6468 0.345587} O3 486 -1 1 {} H 0.0 {0.282435 0.606795 0.493501} H2 487 -1 8 {} O 0.0 {0.404676 0.622596 0.335414} O4 488 -1 1 {} H 0.0 {0.398077 0.622672 0.342713} H3 489 -1 8 {} O 0.0 {0.47071 0.314745 0.517173} O5 490 -1 1 {} H 0.0 {0.469781 0.311846 0.526713} H4 491 -1 8 {} O 0.0 {0.492722 0.324839 0.519122} O6 492 -1 1 {} H 0.0 {0.350885 0.555371 0.423002} H5 493 -1 8 {} O 0.0 {0.488488 0.316077 0.497193} O7 494 -1 1 {} H 0.0 {0.4977 0.317462 0.494843} H6 495 -1 8 {} O 0.0 {0.354088 0.56568 0.609753} O1 496 -1 14 {} Si 0.0 {0.345816 0.557515 0.599638} Si1 497 -1 14 {} Si 0.0 {0.359833 0.580608 0.611829} Si2 498 -1 8 {} O 0.0 {0.677159 0.622385 0.439915} O2 499 -1 1 {} H 0.0 {0.668465 0.625424 0.441673} H1 500 -1 8 {} O 0.0 {0.357378 0.58523 0.597053} O3 501 -1 1 {} H 0.0 {0.67966 0.41997 0.591464} H2 502 -1 8 {} O 0.0 {0.353929 0.591544 0.547082} O4 503 -1 1 {} H 0.0 {0.372019 0.623572 0.465131} H3 504 -1 8 {} O 0.0 {0.343981 0.565003 0.580007} O5 505 -1 1 {} H 0.0 {0.335962 0.570157 0.57856} H4 506 -1 8 {} O 0.0 {0.353671 0.543826 0.59809} O6 507 -1 1 {} H 0.0 {0.283223 0.62124 0.455379} H5 508 -1 8 {} O 0.0 {0.331847 0.551917 0.605479} O7 509 -1 1 {} H 0.0 {0.332756 0.544022 0.61084} H6 510 -1 8 {} O 0.0 {0.588564 0.347517 0.398145} O1 511 -1 14 {} Si 0.0 {0.592619 0.332481 0.401011} Si1 512 -1 14 {} Si 0.0 {0.590266 0.362749 0.398174} Si2 513 -1 8 {} O 0.0 {0.580392 0.371547 0.406228} O2 514 -1 1 {} H 0.0 {0.565611 0.418261 0.282185} H1 515 -1 8 {} O 0.0 {0.591127 0.370454 0.3845} O3 516 -1 1 {} H 0.0 {0.518879 0.38096 0.413943} H2 517 -1 8 {} O 0.0 {0.604242 0.366529 0.403755} O4 518 -1 1 {} H 0.0 {0.576977 0.426342 0.346805} H3 519 -1 8 {} O 0.0 {0.593434 0.32494 0.386836} O5 520 -1 1 {} H 0.0 {0.551389 0.390591 0.407186} H4 521 -1 8 {} O 0.0 {0.605319 0.332376 0.409605} O6 522 -1 1 {} H 0.0 {0.532072 0.342658 0.428152} H5 523 -1 8 {} O 0.0 {0.581415 0.325933 0.410771} O7 524 -1 1 {} H 0.0 {0.647481 0.452923 0.4582} H6 525 -1 8 {} O 0.0 {0.319782 0.496416 0.588049} O1 526 -1 14 {} Si 0.0 {0.307678 0.487236 0.591197} Si1 527 -1 14 {} Si 0.0 {0.330809 0.503134 0.579288} Si2 528 -1 8 {} O 0.0 {0.336848 0.51672 0.584753} O2 529 -1 1 {} H 0.0 {0.353276 0.520733 0.59071} H1 530 -1 8 {} O 0.0 {0.597169 0.528572 0.310259} O3 531 -1 1 {} H 0.0 {0.592097 0.537383 0.310058} H2 532 -1 8 {} O 0.0 {0.346205 0.489443 0.574596} O4 533 -1 1 {} H 0.0 {0.353892 0.491694 0.580479} H3 534 -1 8 {} O 0.0 {0.312022 0.475944 0.600694} O5 535 -1 1 {} H 0.0 {0.32039 0.47174 0.598273} H4 536 -1 8 {} O 0.0 {0.297013 0.497194 0.596248} O6 537 -1 1 {} H 0.0 {0.299674 0.506334 0.593266} H5 538 -1 8 {} O 0.0 {0.303873 0.479845 0.57806} O7 539 -1 1 {} H 0.0 {0.46465 0.63831 0.299235} H6 540 -1 8 {} O 0.0 {0.352442 0.590819 0.572664} O1 541 -1 14 {} Si 0.0 {0.553252 0.678709 0.428495} Si1 542 -1 14 {} Si 0.0 {0.358437 0.580049 0.582026} Si2 543 -1 8 {} O 0.0 {0.989724 0.231071 0.713564} O2 544 -1 1 {} H 0.0 {0.672782 0.497243 0.430617} H1 545 -1 8 {} O 0.0 {0.264639 0.478165 0.406122} O3 546 -1 1 {} H 0.0 {0.26707 0.4735 0.397267} H2 547 -1 8 {} O 0.0 {0.39275 0.574653 0.597315} O4 548 -1 1 {} H 0.0 {0.450075 0.362869 0.463582} H3 549 -1 8 {} O 0.0 {0.555257 0.673211 0.414033} O5 550 -1 1 {} H 0.0 {0.306607 0.470938 0.578045} H4 551 -1 8 {} O 0.0 {0.562271 0.666261 0.390242} O6 552 -1 1 {} H 0.0 {0.569186 0.661592 0.385487} H5 553 -1 8 {} O 0.0 {0.550745 0.695414 0.442054} O7 554 -1 1 {} H 0.0 {0.535084 0.629898 0.377961} H6 555 -1 8 {} O 0.0 {0.409117 0.556628 0.347203} O1 556 -1 14 {} Si 0.0 {0.40309 0.548485 0.358346} Si1 557 -1 14 {} Si 0.0 {0.419396 0.56467 0.33965} Si2 558 -1 8 {} O 0.0 {0.431288 0.555506 0.333864} O2 559 -1 1 {} H 0.0 {0.665248 0.563527 0.391278} H1 560 -1 8 {} O 0.0 {0.437413 0.404289 0.641243} O3 561 -1 1 {} H 0.0 {0.596202 0.435691 0.524428} H2 562 -1 8 {} O 0.0 {0.593068 0.484566 0.429067} O4 563 -1 1 {} H 0.0 {0.598066 0.483766 0.420294} H3 564 -1 8 {} O 0.0 {0.426765 0.575473 0.348441} O5 565 -1 1 {} H 0.0 {0.425112 0.661519 0.575692} H4 566 -1 8 {} O 0.0 {0.627928 0.301409 0.445269} O6 567 -1 1 {} H 0.0 {0.619337 0.297394 0.444953} H5 568 -1 8 {} O 0.0 {0.395829 0.535264 0.35414} O7 569 -1 1 {} H 0.0 {0.393048 0.530479 0.362389} H6 570 -1 8 {} O 0.0 {0.377177 0.663204 0.526912} O1 571 -1 14 {} Si 0.0 {0.363892 0.663667 0.518765} Si1 572 -1 14 {} Si 0.0 {0.386149 0.667212 0.539223} Si2 573 -1 8 {} O 0.0 {0.397345 0.656671 0.54148} O2 574 -1 1 {} H 0.0 {0.451731 0.61899 0.380775} H1 575 -1 8 {} O 0.0 {0.377982 0.668208 0.552602} O3 576 -1 1 {} H 0.0 {0.569829 0.570002 0.708229} H2 577 -1 8 {} O 0.0 {0.393173 0.680721 0.535172} O4 578 -1 1 {} H 0.0 {0.402656 0.681128 0.536692} H3 579 -1 8 {} O 0.0 {0.362158 0.650379 0.510552} O5 580 -1 1 {} H 0.0 {0.322127 0.571544 0.473685} H4 581 -1 8 {} O 0.0 {0.351715 0.664662 0.528133} O6 582 -1 1 {} H 0.0 {0.418319 0.641163 0.422154} H5 583 -1 8 {} O 0.0 {0.364063 0.675352 0.509026} O7 584 -1 1 {} H 0.0 {0.414057 0.636735 0.445289} H6 585 -1 8 {} O 0.0 {0.45535 0.462409 0.686504} O1 586 -1 14 {} Si 0.0 {0.463959 0.462364 0.673165} Si1 587 -1 14 {} Si 0.0 {0.458137 0.45536 0.700174} Si2 588 -1 8 {} O 0.0 {0.446159 0.446014 0.703475} O2 589 -1 1 {} H 0.0 {0.445896 0.438034 0.697944} H1 590 -1 8 {} O 0.0 {0.46132 0.467974 0.708675} O3 591 -1 1 {} H 0.0 {0.452715 0.472606 0.710856} H2 592 -1 8 {} O 0.0 {0.474545 0.45053 0.687868} O4 593 -1 1 {} H 0.0 {0.506531 0.451791 0.646187} H3 594 -1 8 {} O 0.0 {0.502318 0.369723 0.658162} O5 595 -1 1 {} H 0.0 {0.494096 0.374717 0.661412} H4 596 -1 8 {} O 0.0 {0.287696 0.490271 0.553568} O6 597 -1 1 {} H 0.0 {0.291403 0.487207 0.561637} H5 598 -1 8 {} O 0.0 {0.644119 0.658773 0.447605} O7 599 -1 1 {} H 0.0 {0.64418 0.655094 0.456455} H6 600 -1 8 {} O 0.0 {0.477219 0.548391 0.503306} O1 601 -1 14 {} Si 0.0 {0.475549 0.541688 0.517552} Si1 602 -1 14 {} Si 0.0 {0.478814 0.561468 0.494105} Si2 603 -1 8 {} O 0.0 {0.46444 0.566645 0.489244} O2 604 -1 1 {} H 0.0 {0.465342 0.572148 0.48126} H1 605 -1 8 {} O 0.0 {0.488901 0.558631 0.481745} O3 606 -1 1 {} H 0.0 {0.485053 0.551601 0.476573} H2 607 -1 8 {} O 0.0 {0.484931 0.572469 0.502613} O4 608 -1 1 {} H 0.0 {0.492599 0.568862 0.507517} H3 609 -1 8 {} O 0.0 {0.474399 0.526003 0.514929} O5 610 -1 1 {} H 0.0 {0.466799 0.522609 0.519979} H4 611 -1 8 {} O 0.0 {0.489255 0.544088 0.525858} O6 612 -1 1 {} H 0.0 {0.495862 0.537131 0.524309} H5 613 -1 8 {} O 0.0 {0.46306 0.548552 0.524026} O7 614 -1 1 {} H 0.0 {0.465028 0.557624 0.527653} H6 615 -1 8 {} O 0.0 {0.425452 0.484498 0.688583} O1 616 -1 14 {} Si 0.0 {0.422355 0.477525 0.701958} Si1 617 -1 14 {} Si 0.0 {0.423155 0.486874 0.673173} Si2 618 -1 8 {} O 0.0 {0.42214 0.472554 0.665793} O2 619 -1 1 {} H 0.0 {0.413723 0.471781 0.661335} H1 620 -1 8 {} O 0.0 {0.434442 0.495378 0.666548} O3 621 -1 1 {} H 0.0 {0.435662 0.492339 0.657144} H2 622 -1 8 {} O 0.0 {0.409606 0.49312 0.668634} O4 623 -1 1 {} H 0.0 {0.391162 0.471967 0.648841} H3 624 -1 8 {} O 0.0 {0.421205 0.461951 0.699278} O5 625 -1 1 {} H 0.0 {0.429475 0.457566 0.701264} H4 626 -1 8 {} O 0.0 {0.433175 0.480295 0.712551} O6 627 -1 1 {} H 0.0 {0.377576 0.453687 0.630018} H5 628 -1 8 {} O 0.0 {0.409142 0.483768 0.70774} O7 629 -1 1 {} H 0.0 {0.386233 0.417159 0.590927} H6 630 -1 8 {} O 0.0 {0.568468 0.349489 0.53928} O1 631 -1 14 {} Si 0.0 {0.568945 0.345066 0.554616} Si1 632 -1 14 {} Si 0.0 {0.566097 0.354748 0.524628} Si2 633 -1 8 {} O 0.0 {0.553373 0.349218 0.516835} O2 634 -1 1 {} H 0.0 {0.555568 0.346007 0.507998} H1 635 -1 8 {} O 0.0 {0.56194 0.370111 0.525348} O3 636 -1 1 {} H 0.0 {0.552263 0.37216 0.522592} H2 637 -1 8 {} O 0.0 {0.578472 0.353136 0.516028} O4 638 -1 1 {} H 0.0 {0.583707 0.351611 0.508509} H3 639 -1 8 {} O 0.0 {0.557637 0.354178 0.560771} O5 640 -1 1 {} H 0.0 {0.561124 0.362588 0.563939} H4 641 -1 8 {} O 0.0 {0.564325 0.330031 0.553509} O6 642 -1 1 {} H 0.0 {0.566236 0.325991 0.544638} H5 643 -1 8 {} O 0.0 {0.582251 0.348913 0.561082} O7 644 -1 1 {} H 0.0 {0.589666 0.34736 0.555246} H6 645 -1 8 {} O 0.0 {0.317343 0.452199 0.510103} O1 646 -1 14 {} Si 0.0 {0.303443 0.450254 0.501579} Si1 647 -1 14 {} Si 0.0 {0.296602 0.420997 0.501363} Si2 648 -1 8 {} O 0.0 {0.281128 0.422562 0.503421} O2 649 -1 1 {} H 0.0 {0.2773 0.425179 0.494574} H1 650 -1 8 {} O 0.0 {0.300705 0.418338 0.516463} O3 651 -1 1 {} H 0.0 {0.287681 0.53277 0.527541} H2 652 -1 8 {} O 0.0 {0.300709 0.435303 0.497088} O4 653 -1 1 {} H 0.0 {0.337649 0.433109 0.457488} H3 654 -1 8 {} O 0.0 {0.303823 0.461525 0.491224} O5 655 -1 1 {} H 0.0 {0.342652 0.397748 0.38695} H4 656 -1 8 {} O 0.0 {0.292337 0.461413 0.550069} O6 657 -1 1 {} H 0.0 {0.301833 0.462807 0.54991} H5 658 -1 8 {} O 0.0 {0.352505 0.559584 0.343157} O7 659 -1 1 {} H 0.0 {0.443767 0.486353 0.275828} H6 660 -1 8 {} O 0.0 {0.565473 0.470602 0.385505} O1 661 -1 14 {} Si 0.0 {0.574592 0.482703 0.387823} Si1 662 -1 14 {} Si 0.0 {0.552316 0.462346 0.382718} Si2 663 -1 8 {} O 0.0 {0.547081 0.463398 0.367427} O2 664 -1 1 {} H 0.0 {0.464973 0.471493 0.349381} H1 665 -1 8 {} O 0.0 {0.553786 0.446735 0.385731} O3 666 -1 1 {} H 0.0 {0.562785 0.443628 0.381129} H2 667 -1 8 {} O 0.0 {0.522733 0.529824 0.387242} O4 668 -1 1 {} H 0.0 {0.471061 0.526439 0.372848} H3 669 -1 8 {} O 0.0 {0.528235 0.386876 0.672749} O5 670 -1 1 {} H 0.0 {0.524736 0.395437 0.67122} H4 671 -1 8 {} O 0.0 {0.589165 0.48017 0.383014} O6 672 -1 1 {} H 0.0 {0.588962 0.479003 0.373304} H5 673 -1 8 {} O 0.0 {0.576806 0.486037 0.402856} O7 674 -1 1 {} H 0.0 {0.656149 0.437366 0.412774} H6 675 -1 8 {} O 0.0 {0.540175 0.374163 0.641883} O1 676 -1 14 {} Si 0.0 {0.606705 0.478295 0.697964} Si1 677 -1 14 {} Si 0.0 {0.529586 0.379804 0.632365} Si2 678 -1 8 {} O 0.0 {0.532232 0.370786 0.620119} O2 679 -1 1 {} H 0.0 {0.53543 0.375418 0.612858} H1 680 -1 8 {} O 0.0 {0.37603 0.565936 0.505415} O3 681 -1 1 {} H 0.0 {0.607101 0.392421 0.614064} H2 682 -1 8 {} O 0.0 {0.416309 0.491434 0.587769} O4 683 -1 1 {} H 0.0 {0.369338 0.567611 0.498228} H3 684 -1 8 {} O 0.0 {0.612174 0.494349 0.697758} O5 685 -1 1 {} H 0.0 {0.411637 0.495165 0.595384} H4 686 -1 8 {} O 0.0 {0.505986 0.336894 0.369431} O6 687 -1 1 {} H 0.0 {0.600111 0.492024 0.444884} H5 688 -1 8 {} O 0.0 {0.592546 0.482242 0.704621} O7 689 -1 1 {} H 0.0 {0.369897 0.567987 0.513173} H6 690 -1 8 {} O 0.0 {0.430524 0.480697 0.487578} O1 691 -1 14 {} Si 0.0 {0.44316 0.489804 0.48775} Si1 692 -1 14 {} Si 0.0 {0.422461 0.468489 0.48241} Si2 693 -1 8 {} O 0.0 {0.431124 0.460526 0.471986} O2 694 -1 1 {} H 0.0 {0.425538 0.453612 0.468162} H1 695 -1 8 {} O 0.0 {0.409979 0.472853 0.474462} O3 696 -1 1 {} H 0.0 {0.409437 0.482419 0.473802} H2 697 -1 8 {} O 0.0 {0.415084 0.460725 0.493359} O4 698 -1 1 {} H 0.0 {0.434106 0.448062 0.430373} H3 699 -1 8 {} O 0.0 {0.455859 0.482818 0.482035} O5 700 -1 1 {} H 0.0 {0.45684 0.485231 0.472477} H4 701 -1 8 {} O 0.0 {0.442497 0.504954 0.482968} O6 702 -1 1 {} H 0.0 {0.440259 0.509656 0.490879} H5 703 -1 8 {} O 0.0 {0.445114 0.493482 0.503084} O7 704 -1 1 {} H 0.0 {0.43747 0.489675 0.507549} H6 705 -1 8 {} O 0.0 {0.540854 0.662544 0.577284} O1 706 -1 14 {} Si 0.0 {0.531712 0.675132 0.580272} Si1 707 -1 14 {} Si 0.0 {0.554455 0.655598 0.575313} Si2 708 -1 8 {} O 0.0 {0.564326 0.657938 0.587227} O2 709 -1 1 {} H 0.0 {0.517394 0.651743 0.616077} H1 710 -1 8 {} O 0.0 {0.561076 0.658671 0.561635} O3 711 -1 1 {} H 0.0 {0.567221 0.651779 0.558474} H2 712 -1 8 {} O 0.0 {0.551298 0.640254 0.576003} O4 713 -1 1 {} H 0.0 {0.543861 0.638832 0.570273} H3 714 -1 8 {} O 0.0 {0.53373 0.675496 0.596241} O5 715 -1 1 {} H 0.0 {0.529593 0.667431 0.600264} H4 716 -1 8 {} O 0.0 {0.536435 0.688123 0.572215} O6 717 -1 1 {} H 0.0 {0.544059 0.686665 0.56688} H5 718 -1 8 {} O 0.0 {0.517031 0.671725 0.575691} O7 719 -1 1 {} H 0.0 {0.515482 0.662087 0.576759} H6 720 -1 8 {} O 0.0 {0.443414 0.385271 0.493817} O1 721 -1 14 {} Si 0.0 {0.428407 0.381507 0.491798} Si1 722 -1 14 {} Si 0.0 {0.456741 0.380684 0.501593} Si2 723 -1 8 {} O 0.0 {0.455276 0.381282 0.517158} O2 724 -1 1 {} H 0.0 {0.450491 0.389245 0.519635} H1 725 -1 8 {} O 0.0 {0.469159 0.389228 0.498177} O3 726 -1 1 {} H 0.0 {0.385136 0.417688 0.535283} H2 727 -1 8 {} O 0.0 {0.461776 0.36728 0.496492} O4 728 -1 1 {} H 0.0 {0.460123 0.366883 0.48708} H3 729 -1 8 {} O 0.0 {0.42576 0.38134 0.476208} O5 730 -1 1 {} H 0.0 {0.407767 0.405667 0.459499} H4 731 -1 8 {} O 0.0 {0.42831 0.367026 0.49762} O6 732 -1 1 {} H 0.0 {0.435595 0.362149 0.49316} H5 733 -1 8 {} O 0.0 {0.419923 0.391558 0.500024} O7 734 -1 1 {} H 0.0 {0.425882 0.399463 0.501458} H6 735 -1 8 {} O 0.0 {0.506358 0.570444 0.57117} O1 736 -1 14 {} Si 0.0 {0.506222 0.560303 0.559646} Si1 737 -1 14 {} Si 0.0 {0.512267 0.580792 0.581162} Si2 738 -1 8 {} O 0.0 {0.505529 0.578064 0.594891} O2 739 -1 1 {} H 0.0 {0.499019 0.569941 0.594011} H1 740 -1 8 {} O 0.0 {0.507007 0.595431 0.578499} O3 741 -1 1 {} H 0.0 {0.498801 0.597015 0.584313} H2 742 -1 8 {} O 0.0 {0.527827 0.578562 0.583925} O4 743 -1 1 {} H 0.0 {0.528347 0.600527 0.567291} H3 744 -1 8 {} O 0.0 {0.497407 0.565204 0.547273} O5 745 -1 1 {} H 0.0 {0.494305 0.557073 0.54272} H4 746 -1 8 {} O 0.0 {0.520303 0.555726 0.555074} O6 747 -1 1 {} H 0.0 {0.52478 0.563967 0.552215} H5 748 -1 8 {} O 0.0 {0.499195 0.548005 0.565639} O7 749 -1 1 {} H 0.0 {0.499973 0.548059 0.575337} H6 750 -1 8 {} O 0.0 {0.489717 0.444372 0.608997} O1 751 -1 14 {} Si 0.0 {0.479553 0.435235 0.617333} Si1 752 -1 14 {} Si 0.0 {0.498691 0.445303 0.595719} Si2 753 -1 8 {} O 0.0 {0.508551 0.457425 0.597652} O2 754 -1 1 {} H 0.0 {0.510093 0.459802 0.606703} H1 755 -1 8 {} O 0.0 {0.488232 0.451355 0.585102} O3 756 -1 1 {} H 0.0 {0.488172 0.461328 0.586715} H2 757 -1 8 {} O 0.0 {0.506525 0.432933 0.590393} O4 758 -1 1 {} H 0.0 {0.511367 0.433654 0.582465} H3 759 -1 8 {} O 0.0 {0.48247 0.439385 0.632043} O5 760 -1 1 {} H 0.0 {0.488777 0.446671 0.631998} H4 761 -1 8 {} O 0.0 {0.479325 0.419579 0.615893} O6 762 -1 1 {} H 0.0 {0.470179 0.416736 0.614161} H5 763 -1 8 {} O 0.0 {0.464421 0.439509 0.615829} O7 764 -1 1 {} H 0.0 {0.461256 0.44214 0.624134} H6 765 -1 8 {} O 0.0 {0.516693 0.455719 0.540748} O1 766 -1 14 {} Si 0.0 {0.502182 0.457908 0.537124} Si1 767 -1 14 {} Si 0.0 {0.529818 0.470411 0.542639} Si2 768 -1 8 {} O 0.0 {0.543939 0.463911 0.541061} O2 769 -1 1 {} H 0.0 {0.549151 0.463104 0.549214} H1 770 -1 8 {} O 0.0 {0.530275 0.4753 0.557883} O3 771 -1 1 {} H 0.0 {0.525695 0.483476 0.559063} H2 772 -1 8 {} O 0.0 {0.531722 0.483983 0.534719} O4 773 -1 1 {} H 0.0 {0.523202 0.487759 0.533269} H3 774 -1 8 {} O 0.0 {0.481655 0.461953 0.539954} O5 775 -1 1 {} H 0.0 {0.477141 0.455388 0.545628} H4 776 -1 8 {} O 0.0 {0.503608 0.454374 0.521671} O6 777 -1 1 {} H 0.0 {0.505455 0.461848 0.516345} H5 778 -1 8 {} O 0.0 {0.498648 0.444295 0.544803} O7 779 -1 1 {} H 0.0 {0.498855 0.437244 0.538435} H6 780 -1 8 {} O 0.0 {0.314989 0.365069 0.476346} O1 781 -1 14 {} Si 0.0 {0.30495 0.374255 0.483742} Si1 782 -1 14 {} Si 0.0 {0.319193 0.355228 0.465227} Si2 783 -1 8 {} O 0.0 {0.334566 0.357908 0.461816} O2 784 -1 1 {} H 0.0 {0.339412 0.350143 0.465523} H1 785 -1 8 {} O 0.0 {0.450434 0.543519 0.290598} O3 786 -1 1 {} H 0.0 {0.555533 0.380705 0.658189} H2 787 -1 8 {} O 0.0 {0.317705 0.340219 0.470311} O4 788 -1 1 {} H 0.0 {0.579989 0.683159 0.456409} H3 789 -1 8 {} O 0.0 {0.314497 0.381195 0.494056} O5 790 -1 1 {} H 0.0 {0.314075 0.33354 0.463291} H4 791 -1 8 {} O 0.0 {0.366914 0.523606 0.693057} O6 792 -1 1 {} H 0.0 {0.43265 0.454773 0.664786} H5 793 -1 8 {} O 0.0 {0.293931 0.366717 0.491945} O7 794 -1 1 {} H 0.0 {0.522768 0.584925 0.608999} H6 795 -1 8 {} O 0.0 {0.536758 0.324495 0.579531} O1 796 -1 14 {} Si 0.0 {0.52852 0.337104 0.583184} Si1 797 -1 14 {} Si 0.0 {0.542525 0.310266 0.58149} Si2 798 -1 8 {} O 0.0 {0.546178 0.308997 0.596884} O2 799 -1 1 {} H 0.0 {0.53897 0.313016 0.601542} H1 800 -1 8 {} O 0.0 {0.556161 0.308435 0.573707} O3 801 -1 1 {} H 0.0 {0.558007 0.316648 0.567895} H2 802 -1 8 {} O 0.0 {0.532236 0.300275 0.575602} O4 803 -1 1 {} H 0.0 {0.524413 0.305171 0.572954} H3 804 -1 8 {} O 0.0 {0.525741 0.335998 0.598465} O5 805 -1 1 {} H 0.0 {0.518672 0.342351 0.601033} H4 806 -1 8 {} O 0.0 {0.53579 0.350772 0.580995} O6 807 -1 1 {} H 0.0 {0.540535 0.350409 0.572382} H5 808 -1 8 {} O 0.0 {0.516101 0.336546 0.573846} O7 809 -1 1 {} H 0.0 {0.514566 0.327363 0.571323} H6 810 -1 8 {} O 0.0 {0.591775 0.490176 0.28645} O1 811 -1 14 {} Si 0.0 {0.603121 0.500374 0.282651} Si1 812 -1 14 {} Si 0.0 {0.581512 0.478382 0.284462} Si2 813 -1 8 {} O 0.0 {0.572231 0.482694 0.27294} O2 814 -1 1 {} H 0.0 {0.570886 0.493078 0.27347} H1 815 -1 8 {} O 0.0 {0.572095 0.478639 0.296353} O3 816 -1 1 {} H 0.0 {0.669965 0.577884 0.392988} H2 817 -1 8 {} O 0.0 {0.271892 0.444647 0.399339} O4 818 -1 1 {} H 0.0 {0.273445 0.448926 0.407539} H3 819 -1 8 {} O 0.0 {0.597822 0.511697 0.273376} O5 820 -1 1 {} H 0.0 {0.588971 0.510649 0.271828} H4 821 -1 8 {} O 0.0 {0.668439 0.571155 0.385883} O6 822 -1 1 {} H 0.0 {0.580056 0.341528 0.341153} H5 823 -1 8 {} O 0.0 {0.614482 0.493049 0.275193} O7 824 -1 1 {} H 0.0 {0.622862 0.494025 0.279064} H6 825 -1 8 {} O 0.0 {0.479004 0.666453 0.583717} O1 826 -1 14 {} Si 0.0 {0.477789 0.654582 0.573756} Si1 827 -1 14 {} Si 0.0 {0.481458 0.680434 0.590207} Si2 828 -1 8 {} O 0.0 {0.506662 0.682009 0.46391} O2 829 -1 1 {} H 0.0 {0.509337 0.723957 0.522911} H1 830 -1 8 {} O 0.0 {0.492275 0.688044 0.581517} O3 831 -1 1 {} H 0.0 {0.397972 0.640375 0.624441} H2 832 -1 8 {} O 0.0 {0.487115 0.67706 0.6041} O4 833 -1 1 {} H 0.0 {0.50389 0.648177 0.561391} H3 834 -1 8 {} O 0.0 {0.481778 0.64108 0.581429} O5 835 -1 1 {} H 0.0 {0.441843 0.607732 0.550142} H4 836 -1 8 {} O 0.0 {0.461999 0.651608 0.571553} O6 837 -1 1 {} H 0.0 {0.457405 0.653902 0.579736} H5 838 -1 8 {} O 0.0 {0.487233 0.657717 0.561298} O7 839 -1 1 {} H 0.0 {0.419118 0.623337 0.572203} H6 840 -1 8 {} O 0.0 {0.491643 0.383817 0.639907} O1 841 -1 14 {} Si 0.0 {0.480907 0.393335 0.645938} Si1 842 -1 14 {} Si 0.0 {0.502289 0.372287 0.642127} Si2 843 -1 8 {} O 0.0 {0.496943 0.359331 0.635661} O2 844 -1 1 {} H 0.0 {0.499143 0.359501 0.62618} H1 845 -1 8 {} O 0.0 {0.456434 0.66294 0.371808} O3 846 -1 1 {} H 0.0 {0.457751 0.665084 0.380869} H2 847 -1 8 {} O 0.0 {0.515009 0.378516 0.636386} O4 848 -1 1 {} H 0.0 {0.536508 0.405424 0.590138} H3 849 -1 8 {} O 0.0 {0.467221 0.390667 0.639255} O5 850 -1 1 {} H 0.0 {0.643093 0.528802 0.494515} H4 851 -1 8 {} O 0.0 {0.480765 0.391328 0.661422} O6 852 -1 1 {} H 0.0 {0.475397 0.397936 0.665424} H5 853 -1 8 {} O 0.0 {0.484481 0.408349 0.643107} O7 854 -1 1 {} H 0.0 {0.482574 0.411016 0.633212} H6 855 -1 8 {} O 0.0 {0.474303 0.421766 0.572889} O1 856 -1 14 {} Si 0.0 {0.463216 0.430797 0.565847} Si1 857 -1 14 {} Si 0.0 {0.479893 0.406845 0.574047} Si2 858 -1 8 {} O 0.0 {0.490063 0.405478 0.585751} O2 859 -1 1 {} H 0.0 {0.491075 0.414544 0.590756} H1 860 -1 8 {} O 0.0 {0.48559 0.404378 0.559663} O3 861 -1 1 {} H 0.0 {0.510799 0.391787 0.511815} H2 862 -1 8 {} O 0.0 {0.467568 0.396743 0.575051} O4 863 -1 1 {} H 0.0 {0.460622 0.399811 0.569291} H3 864 -1 8 {} O 0.0 {0.459546 0.423209 0.552376} O5 865 -1 1 {} H 0.0 {0.452637 0.416146 0.55426} H4 866 -1 8 {} O 0.0 {0.450345 0.427977 0.574442} O6 867 -1 1 {} H 0.0 {0.466961 0.423966 0.533575} H5 868 -1 8 {} O 0.0 {0.468943 0.444905 0.56292} O7 869 -1 1 {} H 0.0 {0.476287 0.446362 0.569097} H6 870 -1 8 {} O 0.0 {0.506786 0.379898 0.364964} O1 871 -1 14 {} Si 0.0 {0.497924 0.390317 0.372254} Si1 872 -1 14 {} Si 0.0 {0.517731 0.375297 0.354381} Si2 873 -1 8 {} O 0.0 {0.51993 0.359907 0.356552} O2 874 -1 1 {} H 0.0 {0.684697 0.379341 0.475128} H1 875 -1 8 {} O 0.0 {0.530909 0.381284 0.357716} O3 876 -1 1 {} H 0.0 {0.531647 0.387406 0.365957} H2 877 -1 8 {} O 0.0 {0.51396 0.380798 0.340371} O4 878 -1 1 {} H 0.0 {0.584139 0.306668 0.385746} H3 879 -1 8 {} O 0.0 {0.484148 0.393237 0.366429} O5 880 -1 1 {} H 0.0 {0.534842 0.436759 0.383397} H4 881 -1 8 {} O 0.0 {0.497203 0.387126 0.387609} O6 882 -1 1 {} H 0.0 {0.504979 0.382463 0.390997} H5 883 -1 8 {} O 0.0 {0.5056 0.403454 0.372179} O7 884 -1 1 {} H 0.0 {0.562334 0.425534 0.367699} H6 885 -1 8 {} O 0.0 {0.647044 0.431869 0.388781} O1 886 -1 14 {} Si 0.0 {0.647425 0.435929 0.37382} Si1 887 -1 14 {} Si 0.0 {0.648492 0.421873 0.400978} Si2 888 -1 8 {} O 0.0 {0.658276 0.428195 0.410987} O2 889 -1 1 {} H 0.0 {0.665811 0.353322 0.432419} H1 890 -1 8 {} O 0.0 {0.654184 0.408427 0.397058} O3 891 -1 1 {} H 0.0 {0.65926 0.403664 0.404584} H2 892 -1 8 {} O 0.0 {0.634479 0.41823 0.407022} O4 893 -1 1 {} H 0.0 {0.635224 0.409744 0.412972} H3 894 -1 8 {} O 0.0 {0.661789 0.442267 0.372282} O5 895 -1 1 {} H 0.0 {0.661652 0.450558 0.376989} H4 896 -1 8 {} O 0.0 {0.642961 0.422841 0.365882} O6 897 -1 1 {} H 0.0 {0.638118 0.425727 0.358246} H5 898 -1 8 {} O 0.0 {0.636452 0.446292 0.370778} O7 899 -1 1 {} H 0.0 {0.630074 0.447592 0.378019} H6 900 -1 8 {} O 0.0 {0.327854 0.518989 0.483259} O1 901 -1 14 {} Si 0.0 {0.313167 0.514941 0.480334} Si1 902 -1 14 {} Si 0.0 {0.340436 0.527066 0.487018} Si2 903 -1 8 {} O 0.0 {0.342873 0.53855 0.476465} O2 904 -1 1 {} H 0.0 {0.33487 0.538546 0.469967} H1 905 -1 8 {} O 0.0 {0.351759 0.51668 0.482956} O3 906 -1 1 {} H 0.0 {0.355145 0.518986 0.47414} H2 907 -1 8 {} O 0.0 {0.340421 0.533293 0.501025} O4 908 -1 1 {} H 0.0 {0.307494 0.543334 0.489116} H3 909 -1 8 {} O 0.0 {0.30499 0.526109 0.474091} O5 910 -1 1 {} H 0.0 {0.283939 0.48482 0.442581} H4 911 -1 8 {} O 0.0 {0.314233 0.50312 0.469837} O6 912 -1 1 {} H 0.0 {0.323257 0.50169 0.466949} H5 913 -1 8 {} O 0.0 {0.306997 0.507631 0.492852} O7 914 -1 1 {} H 0.0 {0.31104 0.498876 0.494183} H6 915 -1 8 {} O 0.0 {0.440327 0.649945 0.442319} O1 916 -1 14 {} Si 0.0 {0.451417 0.642073 0.435688} Si1 917 -1 14 {} Si 0.0 {0.426837 0.65199 0.450142} Si2 918 -1 8 {} O 0.0 {0.42777 0.645582 0.463575} O2 919 -1 1 {} H 0.0 {0.465107 0.640319 0.5051} H1 920 -1 8 {} O 0.0 {0.414731 0.64593 0.442782} O3 921 -1 1 {} H 0.0 {0.401304 0.622254 0.463815} H2 922 -1 8 {} O 0.0 {0.423598 0.667258 0.450444} O4 923 -1 1 {} H 0.0 {0.413865 0.668918 0.449146} H3 924 -1 8 {} O 0.0 {0.45432 0.647776 0.420944} O5 925 -1 1 {} H 0.0 {0.451833 0.642347 0.413266} H4 926 -1 8 {} O 0.0 {0.46282 0.641111 0.446956} O6 927 -1 1 {} H 0.0 {0.466099 0.650017 0.448087} H5 928 -1 8 {} O 0.0 {0.4466 0.627369 0.434238} O7 929 -1 1 {} H 0.0 {0.440012 0.625114 0.441198} H6 930 -1 8 {} O 0.0 {0.51688 0.58501 0.688932} O1 931 -1 14 {} Si 0.0 {0.519943 0.588296 0.673892} Si1 932 -1 14 {} Si 0.0 {0.510808 0.576597 0.700666} Si2 933 -1 8 {} O 0.0 {0.501648 0.586028 0.709545} O2 934 -1 1 {} H 0.0 {0.491805 0.584021 0.709492} H1 935 -1 8 {} O 0.0 {0.523924 0.572311 0.708479} O3 936 -1 1 {} H 0.0 {0.525054 0.562595 0.710153} H2 937 -1 8 {} O 0.0 {0.50241 0.564491 0.694493} O4 938 -1 1 {} H 0.0 {0.499267 0.565751 0.685421} H3 939 -1 8 {} O 0.0 {0.51983 0.57386 0.667113} O5 940 -1 1 {} H 0.0 {0.528189 0.569511 0.669274} H4 941 -1 8 {} O 0.0 {0.507522 0.597225 0.668593} O6 942 -1 1 {} H 0.0 {0.507677 0.60111 0.660282} H5 943 -1 8 {} O 0.0 {0.534073 0.594848 0.674023} O7 944 -1 1 {} H 0.0 {0.540283 0.534363 0.629306} H6 945 -1 8 {} O 0.0 {0.461165 0.337093 0.550517} O1 946 -1 14 {} Si 0.0 {0.464207 0.349707 0.54138} Si1 947 -1 14 {} Si 0.0 {0.463613 0.323288 0.55639} Si2 948 -1 8 {} O 0.0 {0.453706 0.320872 0.567798} O2 949 -1 1 {} H 0.0 {0.448614 0.312944 0.566114} H1 950 -1 8 {} O 0.0 {0.476493 0.323001 0.56567} O3 951 -1 1 {} H 0.0 {0.475842 0.32799 0.57376} H2 952 -1 8 {} O 0.0 {0.464241 0.311551 0.546413} O4 953 -1 1 {} H 0.0 {0.485071 0.32873 0.465049} H3 954 -1 8 {} O 0.0 {0.46817 0.36269 0.548435} O5 955 -1 1 {} H 0.0 {0.460469 0.367312 0.552785} H4 956 -1 8 {} O 0.0 {0.47598 0.346938 0.53093} O6 957 -1 1 {} H 0.0 {0.482135 0.353538 0.5319} H5 958 -1 8 {} O 0.0 {0.451838 0.353651 0.532739} O7 959 -1 1 {} H 0.0 {0.454042 0.362674 0.529301} H6 960 -1 8 {} O 0.0 {0.598978 0.590048 0.460622} O1 961 -1 14 {} Si 0.0 {0.604929 0.59987 0.471017} Si1 962 -1 14 {} Si 0.0 {0.395474 0.452231 0.642557} Si2 963 -1 8 {} O 0.0 {0.404425 0.448373 0.630304} O2 964 -1 1 {} H 0.0 {0.411784 0.454872 0.629652} H1 965 -1 8 {} O 0.0 {0.399135 0.466964 0.647554} O3 966 -1 1 {} H 0.0 {0.415548 0.550411 0.697597} H2 967 -1 8 {} O 0.0 {0.37988 0.453737 0.639751} O4 968 -1 1 {} H 0.0 {0.608183 0.60884 0.352837} H3 969 -1 8 {} O 0.0 {0.604755 0.591159 0.483582} O5 970 -1 1 {} H 0.0 {0.538602 0.646884 0.455741} H4 971 -1 8 {} O 0.0 {0.594226 0.610233 0.472335} O6 972 -1 1 {} H 0.0 {0.586874 0.606516 0.479177} H5 973 -1 8 {} O 0.0 {0.545672 0.644087 0.449415} O7 974 -1 1 {} H 0.0 {0.54137 0.645821 0.440842} H6 975 -1 8 {} O 0.0 {0.432566 0.512789 0.353581} O1 976 -1 14 {} Si 0.0 {0.43946 0.514722 0.367302} Si1 977 -1 14 {} Si 0.0 {0.42757 0.507562 0.339643} Si2 978 -1 8 {} O 0.0 {0.414425 0.515447 0.3361} O2 979 -1 1 {} H 0.0 {0.500644 0.59383 0.404144} H1 980 -1 8 {} O 0.0 {0.423881 0.492146 0.337816} O3 981 -1 1 {} H 0.0 {0.509004 0.491867 0.308295} H2 982 -1 8 {} O 0.0 {0.437148 0.512515 0.329208} O4 983 -1 1 {} H 0.0 {0.438091 0.506102 0.322179} H3 984 -1 8 {} O 0.0 {0.452644 0.522881 0.36455} O5 985 -1 1 {} H 0.0 {0.456805 0.519431 0.355683} H4 986 -1 8 {} O 0.0 {0.42991 0.522422 0.376787} O6 987 -1 1 {} H 0.0 {0.428247 0.531874 0.374589} H5 988 -1 8 {} O 0.0 {0.446602 0.502043 0.372797} O7 989 -1 1 {} H 0.0 {0.404099 0.445834 0.348721} H6 990 -1 8 {} O 0.0 {0.511778 0.29777 0.549396} O1 991 -1 14 {} Si 0.0 {0.520093 0.298675 0.536117} Si1 992 -1 14 {} Si 0.0 {0.502832 0.292367 0.5613} Si2 993 -1 8 {} O 0.0 {0.501214 0.306373 0.568909} O2 994 -1 1 {} H 0.0 {0.619416 0.371214 0.543897} H1 995 -1 8 {} O 0.0 {0.507536 0.282217 0.572371} O3 996 -1 1 {} H 0.0 {0.435235 0.335755 0.510834} H2 997 -1 8 {} O 0.0 {0.489844 0.288772 0.553065} O4 998 -1 1 {} H 0.0 {0.491698 0.286693 0.543456} H3 999 -1 8 {} O 0.0 {0.535395 0.294002 0.538367} O5 1000 -1 1 {} H 0.0 {0.538196 0.288844 0.530752} H4 1001 -1 8 {} O 0.0 {0.511439 0.289319 0.526103} O6 1002 -1 1 {} H 0.0 {0.467776 0.33596 0.402238} H5 1003 -1 8 {} O 0.0 {0.520519 0.312762 0.529809} O7 1004 -1 1 {} H 0.0 {0.483474 0.483541 0.580408} H6 1005 -1 8 {} O 0.0 {0.482891 0.610586 0.501925} O1 1006 -1 14 {} Si 0.0 {0.474047 0.622336 0.495226} Si1 1007 -1 14 {} Si 0.0 {0.517715 0.645762 0.476126} Si2 1008 -1 8 {} O 0.0 {0.528935 0.634261 0.477119} O2 1009 -1 1 {} H 0.0 {0.52483 0.625867 0.474564} H1 1010 -1 8 {} O 0.0 {0.518048 0.653612 0.48951} O3 1011 -1 1 {} H 0.0 {0.430287 0.608932 0.297663} H2 1012 -1 8 {} O 0.0 {0.521173 0.6551 0.463963} O4 1013 -1 1 {} H 0.0 {0.51721 0.663781 0.46563} H3 1014 -1 8 {} O 0.0 {0.659637 0.58778 0.425732} O5 1015 -1 1 {} H 0.0 {0.551428 0.668677 0.372954} H4 1016 -1 8 {} O 0.0 {0.470228 0.632595 0.5068} O6 1017 -1 1 {} H 0.0 {0.447802 0.705798 0.553066} H5 1018 -1 8 {} O 0.0 {0.461886 0.616479 0.488689} O7 1019 -1 1 {} H 0.0 {0.542562 0.69804 0.446455} H6 1020 -1 8 {} O 0.0 {0.444241 0.670283 0.542008} O1 1021 -1 14 {} Si 0.0 {0.458317 0.667267 0.535772} Si1 1022 -1 14 {} Si 0.0 {0.430856 0.676219 0.549492} Si2 1023 -1 8 {} O 0.0 {0.435833 0.688489 0.559187} O2 1024 -1 1 {} H 0.0 {0.407356 0.361174 0.5421} H1 1025 -1 8 {} O 0.0 {0.421882 0.666114 0.556949} O3 1026 -1 1 {} H 0.0 {0.414437 0.663106 0.551494} H2 1027 -1 8 {} O 0.0 {0.422333 0.685341 0.540762} O4 1028 -1 1 {} H 0.0 {0.292712 0.503918 0.402334} H3 1029 -1 8 {} O 0.0 {0.458007 0.651798 0.532502} O5 1030 -1 1 {} H 0.0 {0.355629 0.67752 0.546459} H4 1031 -1 8 {} O 0.0 {0.458002 0.674564 0.522016} O6 1032 -1 1 {} H 0.0 {0.4174 0.650523 0.488211} H5 1033 -1 8 {} O 0.0 {0.470662 0.672412 0.544442} O7 1034 -1 1 {} H 0.0 {0.46234 0.650141 0.52367} H6 1035 -1 8 {} O 0.0 {0.640279 0.497764 0.623997} O1 1036 -1 14 {} Si 0.0 {0.637854 0.511152 0.61673} Si1 1037 -1 14 {} Si 0.0 {0.501995 0.711607 0.507238} Si2 1038 -1 8 {} O 0.0 {0.509489 0.723848 0.513237} O2 1039 -1 1 {} H 0.0 {0.500594 0.682491 0.581636} H1 1040 -1 8 {} O 0.0 {0.493859 0.714416 0.494482} O3 1041 -1 1 {} H 0.0 {0.653105 0.46531 0.67879} H2 1042 -1 8 {} O 0.0 {0.684182 0.491604 0.576051} O4 1043 -1 1 {} H 0.0 {0.692264 0.443044 0.481929} H3 1044 -1 8 {} O 0.0 {0.593576 0.439497 0.515918} O5 1045 -1 1 {} H 0.0 {0.471904 0.278823 0.430382} H4 1046 -1 8 {} O 0.0 {0.642112 0.522429 0.62709} O6 1047 -1 1 {} H 0.0 {0.638028 0.520968 0.635769} H5 1048 -1 8 {} O 0.0 {0.648499 0.459446 0.68486} O7 1049 -1 1 {} H 0.0 {0.414231 0.468005 0.269742} H6 1050 -1 8 {} O 0.0 {0.35211 0.445107 0.397517} O1 1051 -1 14 {} Si 0.0 {0.36186 0.443404 0.409179} Si1 1052 -1 14 {} Si 0.0 {0.341819 0.440133 0.387179} Si2 1053 -1 8 {} O 0.0 {0.552572 0.572349 0.715968} O2 1054 -1 1 {} H 0.0 {0.543748 0.569312 0.714088} H1 1055 -1 8 {} O 0.0 {0.348915 0.441837 0.373062} O3 1056 -1 1 {} H 0.0 {0.346405 0.434175 0.367578} H2 1057 -1 8 {} O 0.0 {0.329811 0.450128 0.387585} O4 1058 -1 1 {} H 0.0 {0.373127 0.460245 0.416073} H3 1059 -1 8 {} O 0.0 {0.376088 0.439562 0.40224} O5 1060 -1 1 {} H 0.0 {0.298177 0.365808 0.500877} H4 1061 -1 8 {} O 0.0 {0.364551 0.455954 0.417966} O6 1062 -1 1 {} H 0.0 {0.343305 0.414253 0.350049} H5 1063 -1 8 {} O 0.0 {0.359642 0.430366 0.418781} O7 1064 -1 1 {} H 0.0 {0.286236 0.514359 0.476904} H6 1065 -1 8 {} O 0.0 {0.588282 0.342852 0.345771} O1 1066 -1 14 {} Si 0.0 {0.599855 0.35303 0.346041} Si1 1067 -1 14 {} Si 0.0 {0.339772 0.326494 0.531635} Si2 1068 -1 8 {} O 0.0 {0.343449 0.341225 0.534647} O2 1069 -1 1 {} H 0.0 {0.386445 0.302081 0.501833} H1 1070 -1 8 {} O 0.0 {0.351215 0.319534 0.534982} O3 1071 -1 1 {} H 0.0 {0.37318 0.396879 0.474299} H2 1072 -1 8 {} O 0.0 {0.641324 0.617281 0.469568} O4 1073 -1 1 {} H 0.0 {0.634914 0.643716 0.474484} H3 1074 -1 8 {} O 0.0 {0.606917 0.351277 0.331951} O5 1075 -1 1 {} H 0.0 {0.604007 0.35862 0.325588} H4 1076 -1 8 {} O 0.0 {0.592378 0.366144 0.347108} O6 1077 -1 1 {} H 0.0 {0.607715 0.398571 0.309374} H5 1078 -1 8 {} O 0.0 {0.610636 0.353812 0.357436} O7 1079 -1 1 {} H 0.0 {0.360733 0.308921 0.466566} H6 1080 -1 8 {} O 0.0 {0.525231 0.62857 0.62769} O1 1081 -1 14 {} Si 0.0 {0.524502 0.618922 0.640727} Si1 1082 -1 14 {} Si 0.0 {0.528416 0.633887 0.613328} Si2 1083 -1 8 {} O 0.0 {0.52519 0.648778 0.610571} O2 1084 -1 1 {} H 0.0 {0.568897 0.616391 0.636247} H1 1085 -1 8 {} O 0.0 {0.519811 0.625938 0.602223} O3 1086 -1 1 {} H 0.0 {0.509807 0.627088 0.602807} H2 1087 -1 8 {} O 0.0 {0.543863 0.631545 0.608532} O4 1088 -1 1 {} H 0.0 {0.544524 0.626408 0.600121} H3 1089 -1 8 {} O 0.0 {0.534519 0.607097 0.638991} O5 1090 -1 1 {} H 0.0 {0.531832 0.600947 0.631014} H4 1091 -1 8 {} O 0.0 {0.527516 0.62837 0.652633} O6 1092 -1 1 {} H 0.0 {0.532569 0.613889 0.694152} H5 1093 -1 8 {} O 0.0 {0.510777 0.611449 0.644232} O7 1094 -1 1 {} H 0.0 {0.502591 0.616115 0.641475} H6 1095 -1 8 {} O 0.0 {0.660366 0.55507 0.58695} O1 1096 -1 14 {} Si 0.0 {0.668064 0.56231 0.575603} Si1 1097 -1 14 {} Si 0.0 {0.652295 0.555522 0.601015} Si2 1098 -1 8 {} O 0.0 {0.659089 0.546232 0.61169} O2 1099 -1 1 {} H 0.0 {0.652695 0.538745 0.613615} H1 1100 -1 8 {} O 0.0 {0.638849 0.548945 0.596112} O3 1101 -1 1 {} H 0.0 {0.633965 0.554438 0.589705} H2 1102 -1 8 {} O 0.0 {0.64933 0.570548 0.603944} O4 1103 -1 1 {} H 0.0 {0.648699 0.575413 0.595884} H3 1104 -1 8 {} O 0.0 {0.663798 0.554045 0.56334} O5 1105 -1 1 {} H 0.0 {0.664437 0.543468 0.564141} H4 1106 -1 8 {} O 0.0 {0.663703 0.576915 0.575726} O6 1107 -1 1 {} H 0.0 {0.383943 0.396512 0.61208} H5 1108 -1 8 {} O 0.0 {0.683494 0.559225 0.578723} O7 1109 -1 1 {} H 0.0 {0.684474 0.554366 0.586668} H6 1110 -1 8 {} O 0.0 {0.697477 0.443253 0.473313} O1 1111 -1 14 {} Si 0.0 {0.33728 0.60952 0.403998} Si1 1112 -1 14 {} Si 0.0 {0.704728 0.457651 0.471511} Si2 1113 -1 8 {} O 0.0 {0.465484 0.692381 0.559491} O2 1114 -1 1 {} H 0.0 {0.467349 0.683919 0.552743} H1 1115 -1 8 {} O 0.0 {0.692579 0.467494 0.472789} O3 1116 -1 1 {} H 0.0 {0.687161 0.465659 0.481237} H2 1117 -1 8 {} O 0.0 {0.712979 0.460423 0.484476} O4 1118 -1 1 {} H 0.0 {0.721178 0.466021 0.482546} H3 1119 -1 8 {} O 0.0 {0.322156 0.612695 0.405207} O5 1120 -1 1 {} H 0.0 {0.409873 0.509209 0.402286} H4 1121 -1 8 {} O 0.0 {0.339377 0.596942 0.412957} O6 1122 -1 1 {} H 0.0 {0.611839 0.407545 0.364027} H5 1123 -1 8 {} O 0.0 {0.317468 0.574732 0.511125} O7 1124 -1 1 {} H 0.0 {0.35287 0.586084 0.306229} H6 1125 -1 8 {} O 0.0 {0.560875 0.436027 0.652861} O1 1126 -1 14 {} Si 0.0 {0.564421 0.427396 0.665459} Si1 1127 -1 14 {} Si 0.0 {0.562343 0.447429 0.642317} Si2 1128 -1 8 {} O 0.0 {0.577821 0.450049 0.642837} O2 1129 -1 1 {} H 0.0 {0.582895 0.442103 0.639994} H1 1130 -1 8 {} O 0.0 {0.554005 0.459653 0.646195} O3 1131 -1 1 {} H 0.0 {0.548443 0.461817 0.638582} H2 1132 -1 8 {} O 0.0 {0.559649 0.440115 0.628877} O4 1133 -1 1 {} H 0.0 {0.494336 0.36859 0.575157} H3 1134 -1 8 {} O 0.0 {0.555496 0.433104 0.677726} O5 1135 -1 1 {} H 0.0 {0.56128 0.437124 0.684259} H4 1136 -1 8 {} O 0.0 {0.5609 0.412639 0.660934} O6 1137 -1 1 {} H 0.0 {0.555914 0.411642 0.65338} H5 1138 -1 8 {} O 0.0 {0.579707 0.42772 0.667201} O7 1139 -1 1 {} H 0.0 {0.586 0.475332 0.702085} H6 1140 -1 8 {} O 0.0 {0.554883 0.595003 0.406769} O1 1141 -1 14 {} Si 0.0 {0.543672 0.588782 0.415672} Si1 1142 -1 14 {} Si 0.0 {0.56398 0.597226 0.394725} Si2 1143 -1 8 {} O 0.0 {0.575688 0.606339 0.398054} O2 1144 -1 1 {} H 0.0 {0.61042 0.585473 0.363728} H1 1145 -1 8 {} O 0.0 {0.555406 0.60613 0.3847} O3 1146 -1 1 {} H 0.0 {0.561362 0.612707 0.380754} H2 1147 -1 8 {} O 0.0 {0.567297 0.585322 0.385211} O4 1148 -1 1 {} H 0.0 {0.559828 0.584488 0.379232} H3 1149 -1 8 {} O 0.0 {0.533475 0.600187 0.417958} O5 1150 -1 1 {} H 0.0 {0.52391 0.599928 0.41481} H4 1151 -1 8 {} O 0.0 {0.534878 0.578284 0.407975} O6 1152 -1 1 {} H 0.0 {0.578062 0.299009 0.584476} H5 1153 -1 8 {} O 0.0 {0.549267 0.581495 0.42808} O7 1154 -1 1 {} H 0.0 {0.542245 0.57288 0.481868} H6 1155 -1 8 {} O 0.0 {0.517561 0.456278 0.673665} O1 1156 -1 14 {} Si 0.0 {0.515424 0.46195 0.688212} Si1 1157 -1 14 {} Si 0.0 {0.426507 0.456947 0.582448} Si2 1158 -1 8 {} O 0.0 {0.387067 0.445748 0.678777} O2 1159 -1 1 {} H 0.0 {0.678996 0.366758 0.53264} H1 1160 -1 8 {} O 0.0 {0.437967 0.465591 0.575274} O3 1161 -1 1 {} H 0.0 {0.445153 0.466197 0.581567} H2 1162 -1 8 {} O 0.0 {0.430571 0.456169 0.598267} O4 1163 -1 1 {} H 0.0 {0.429601 0.446758 0.600691} H3 1164 -1 8 {} O 0.0 {0.521667 0.476023 0.688971} O5 1165 -1 1 {} H 0.0 {0.531817 0.476513 0.687536} H4 1166 -1 8 {} O 0.0 {0.522406 0.453934 0.699869} O6 1167 -1 1 {} H 0.0 {0.523053 0.443991 0.697726} H5 1168 -1 8 {} O 0.0 {0.499787 0.463393 0.690721} O7 1169 -1 1 {} H 0.0 {0.496318 0.472515 0.690747} H6 1170 -1 8 {} O 0.0 {0.493078 0.345058 0.402933} O1 1171 -1 14 {} Si 0.0 {0.480852 0.353169 0.399077} Si1 1172 -1 14 {} Si 0.0 {0.505294 0.335578 0.405127} Si2 1173 -1 8 {} O 0.0 {0.501032 0.320315 0.404028} O2 1174 -1 1 {} H 0.0 {0.5084 0.315418 0.407735} H1 1175 -1 8 {} O 0.0 {0.512309 0.336885 0.419261} O3 1176 -1 1 {} H 0.0 {0.48614 0.331283 0.52251} H2 1177 -1 8 {} O 0.0 {0.51711 0.33691 0.39467} O4 1178 -1 1 {} H 0.0 {0.513639 0.337287 0.384699} H3 1179 -1 8 {} O 0.0 {0.468193 0.344443 0.397216} O5 1180 -1 1 {} H 0.0 {0.485344 0.311565 0.4162} H4 1181 -1 8 {} O 0.0 {0.478173 0.364856 0.409192} O6 1182 -1 1 {} H 0.0 {0.497498 0.339037 0.373485} H5 1183 -1 8 {} O 0.0 {0.484012 0.358479 0.384971} O7 1184 -1 1 {} H 0.0 {0.483411 0.367761 0.385041} H6 1185 -1 8 {} O 0.0 {0.686698 0.479007 0.523859} O1 1186 -1 14 {} Si 0.0 {0.677475 0.472615 0.534677} Si1 1187 -1 14 {} Si 0.0 {0.691818 0.477488 0.508271} Si2 1188 -1 8 {} O 0.0 {0.680111 0.473142 0.498586} O2 1189 -1 1 {} H 0.0 {0.673318 0.468469 0.503661} H1 1190 -1 8 {} O 0.0 {0.70222 0.489196 0.504902} O3 1191 -1 1 {} H 0.0 {0.639388 0.32689 0.461798} H2 1192 -1 8 {} O 0.0 {0.70017 0.464328 0.507919} O4 1193 -1 1 {} H 0.0 {0.707542 0.463785 0.502436} H3 1194 -1 8 {} O 0.0 {0.663372 0.474198 0.527937} O5 1195 -1 1 {} H 0.0 {0.661873 0.465638 0.523048} H4 1196 -1 8 {} O 0.0 {0.680335 0.457222 0.536226} O6 1197 -1 1 {} H 0.0 {0.682581 0.45318 0.528061} H5 1198 -1 8 {} O 0.0 {0.677811 0.480192 0.548728} O7 1199 -1 1 {} H 0.0 {0.685642 0.486456 0.548297} H6 1200 -1 8 {} O 0.0 {0.564915 0.589923 0.583287} O1 1201 -1 14 {} Si 0.0 {0.56513 0.600811 0.593438} Si1 1202 -1 14 {} Si 0.0 {0.565739 0.579266 0.571694} Si2 1203 -1 8 {} O 0.0 {0.551596 0.572007 0.568529} O2 1204 -1 1 {} H 0.0 {0.545364 0.574663 0.575077} H1 1205 -1 8 {} O 0.0 {0.573061 0.566566 0.576207} O3 1206 -1 1 {} H 0.0 {0.57566 0.56522 0.586026} H2 1207 -1 8 {} O 0.0 {0.57029 0.585561 0.558102} O4 1208 -1 1 {} H 0.0 {0.578488 0.583803 0.553682} H3 1209 -1 8 {} O 0.0 {0.567611 0.595707 0.607762} O5 1210 -1 1 {} H 0.0 {0.566315 0.602861 0.614461} H4 1211 -1 8 {} O 0.0 {0.577337 0.610058 0.59295} O6 1212 -1 1 {} H 0.0 {0.584984 0.604507 0.589585} H5 1213 -1 8 {} O 0.0 {0.551877 0.609127 0.591438} O7 1214 -1 1 {} H 0.0 {0.559006 0.657973 0.595417} H6 1215 -1 8 {} O 0.0 {0.443941 0.48528 0.615342} O1 1216 -1 14 {} Si 0.0 {0.438292 0.478547 0.628771} Si1 1217 -1 14 {} Si 0.0 {0.452253 0.489829 0.602199} Si2 1218 -1 8 {} O 0.0 {0.465629 0.498014 0.606406} O2 1219 -1 1 {} H 0.0 {0.463449 0.507179 0.60945} H1 1220 -1 8 {} O 0.0 {0.443289 0.498451 0.592677} O3 1221 -1 1 {} H 0.0 {0.433848 0.496302 0.593174} H2 1222 -1 8 {} O 0.0 {0.458747 0.477642 0.595358} O4 1223 -1 1 {} H 0.0 {0.46885 0.477442 0.594364} H3 1224 -1 8 {} O 0.0 {0.43153 0.489251 0.63811} O5 1225 -1 1 {} H 0.0 {0.421868 0.491449 0.636055} H4 1226 -1 8 {} O 0.0 {0.426984 0.467893 0.624463} O6 1227 -1 1 {} H 0.0 {0.427191 0.465673 0.615187} H5 1228 -1 8 {} O 0.0 {0.450302 0.473329 0.637634} O7 1229 -1 1 {} H 0.0 {0.456565 0.480538 0.641169} H6 1230 -1 8 {} O 0.0 {0.386449 0.38305 0.512298} O1 1231 -1 14 {} Si 0.0 {0.391525 0.37871 0.526889} Si1 1232 -1 14 {} Si 0.0 {0.382078 0.393247 0.500499} Si2 1233 -1 8 {} O 0.0 {0.393537 0.402709 0.495362} O2 1234 -1 1 {} H 0.0 {0.402293 0.399895 0.498493} H1 1235 -1 8 {} O 0.0 {0.369718 0.40051 0.505602} O3 1236 -1 1 {} H 0.0 {0.384155 0.382355 0.567224} H2 1237 -1 8 {} O 0.0 {0.379064 0.384649 0.487455} O4 1238 -1 1 {} H 0.0 {0.383982 0.375963 0.486917} H3 1239 -1 8 {} O 0.0 {0.395478 0.363446 0.527607} O5 1240 -1 1 {} H 0.0 {0.394401 0.358162 0.518911} H4 1241 -1 8 {} O 0.0 {0.402717 0.387535 0.534899} O6 1242 -1 1 {} H 0.0 {0.369221 0.36214 0.575504} H5 1243 -1 8 {} O 0.0 {0.37886 0.378549 0.535405} O7 1244 -1 1 {} H 0.0 {0.37812 0.377469 0.545026} H6 1245 -1 8 {} O 0.0 {0.474447 0.678773 0.423203} O1 1246 -1 14 {} Si 0.0 {0.46849 0.683379 0.409776} Si1 1247 -1 14 {} Si 0.0 {0.482001 0.678707 0.436193} Si2 1248 -1 8 {} O 0.0 {0.474691 0.667425 0.444184} O2 1249 -1 1 {} H 0.0 {0.467508 0.672433 0.4494} H1 1250 -1 8 {} O 0.0 {0.482244 0.692516 0.444293} O3 1251 -1 1 {} H 0.0 {0.474655 0.696295 0.441962} H2 1252 -1 8 {} O 0.0 {0.495964 0.672807 0.435483} O4 1253 -1 1 {} H 0.0 {0.49591 0.664965 0.429439} H3 1254 -1 8 {} O 0.0 {0.456486 0.692971 0.410062} O5 1255 -1 1 {} H 0.0 {0.448758 0.688146 0.414526} H4 1256 -1 8 {} O 0.0 {0.478462 0.687456 0.399083} O6 1257 -1 1 {} H 0.0 {0.474017 0.69151 0.391437} H5 1258 -1 8 {} O 0.0 {0.461341 0.671501 0.403062} O7 1259 -1 1 {} H 0.0 {0.491144 0.483209 0.593911} H6 1260 -1 8 {} O 0.0 {0.453484 0.429556 0.662862} O1 1261 -1 14 {} Si 0.0 {0.447712 0.442617 0.656399} Si1 1262 -1 14 {} Si 0.0 {0.458452 0.41968 0.673708} Si2 1263 -1 8 {} O 0.0 {0.473067 0.421772 0.677617} O2 1264 -1 1 {} H 0.0 {0.474942 0.430886 0.681585} H1 1265 -1 8 {} O 0.0 {0.456442 0.405875 0.66802} O3 1266 -1 1 {} H 0.0 {0.451502 0.4061 0.659266} H2 1267 -1 8 {} O 0.0 {0.448051 0.420357 0.685085} O4 1268 -1 1 {} H 0.0 {0.439897 0.414857 0.683726} H3 1269 -1 8 {} O 0.0 {0.449343 0.445479 0.641158} O5 1270 -1 1 {} H 0.0 {0.448247 0.454993 0.638971} H4 1271 -1 8 {} O 0.0 {0.432501 0.445841 0.660361} O6 1272 -1 1 {} H 0.0 {0.399086 0.518915 0.648269} H5 1273 -1 8 {} O 0.0 {0.454486 0.45496 0.663038} O7 1274 -1 1 {} H 0.0 {0.544678 0.384795 0.670443} H6 1275 -1 8 {} O 0.0 {0.354599 0.310144 0.459263} O1 1276 -1 14 {} Si 0.0 {0.375093 0.3414 0.440011} Si1 1277 -1 14 {} Si 0.0 {0.354426 0.324576 0.454483} Si2 1278 -1 8 {} O 0.0 {0.351495 0.334148 0.46657} O2 1279 -1 1 {} H 0.0 {0.347284 0.328715 0.473839} H1 1280 -1 8 {} O 0.0 {0.341743 0.32552 0.444627} O3 1281 -1 1 {} H 0.0 {0.340237 0.316482 0.442349} H2 1282 -1 8 {} O 0.0 {0.366281 0.329989 0.446703} O4 1283 -1 1 {} H 0.0 {0.324237 0.378486 0.492529} H3 1284 -1 8 {} O 0.0 {0.374958 0.339262 0.424247} O5 1285 -1 1 {} H 0.0 {0.409328 0.428257 0.630523} H4 1286 -1 8 {} O 0.0 {0.409286 0.418515 0.632639} O6 1287 -1 1 {} H 0.0 {0.670212 0.44268 0.544728} H5 1288 -1 8 {} O 0.0 {0.390146 0.343616 0.444093} O7 1289 -1 1 {} H 0.0 {0.393799 0.351927 0.441772} H6 1290 -1 8 {} O 0.0 {0.404801 0.42963 0.318532} O1 1291 -1 14 {} Si 0.0 {0.4149 0.43735 0.31018} Si1 1292 -1 14 {} Si 0.0 {0.398722 0.416937 0.326241} Si2 1293 -1 8 {} O 0.0 {0.404905 0.418389 0.340713} O2 1294 -1 1 {} H 0.0 {0.400506 0.426207 0.344525} H1 1295 -1 8 {} O 0.0 {0.403501 0.403351 0.31991} O3 1296 -1 1 {} H 0.0 {0.409273 0.404807 0.312324} H2 1297 -1 8 {} O 0.0 {0.382965 0.417715 0.326128} O4 1298 -1 1 {} H 0.0 {0.379623 0.426938 0.3256} H3 1299 -1 8 {} O 0.0 {0.423974 0.443695 0.320766} O5 1300 -1 1 {} H 0.0 {0.429049 0.451768 0.31697} H4 1301 -1 8 {} O 0.0 {0.42309 0.428472 0.300455} O6 1302 -1 1 {} H 0.0 {0.432704 0.430187 0.301512} H5 1303 -1 8 {} O 0.0 {0.40618 0.448596 0.303171} O7 1304 -1 1 {} H 0.0 {0.397323 0.445514 0.302036} H6 1305 -1 8 {} O 0.0 {0.521882 0.431207 0.361515} O1 1306 -1 14 {} Si 0.0 {0.51551 0.436513 0.374505} Si1 1307 -1 14 {} Si 0.0 {0.523552 0.425487 0.346978} Si2 1308 -1 8 {} O 0.0 {0.510347 0.417417 0.345901} O2 1309 -1 1 {} H 0.0 {0.496125 0.448551 0.328324} H1 1310 -1 8 {} O 0.0 {0.536015 0.416785 0.345509} O3 1311 -1 1 {} H 0.0 {0.542046 0.417965 0.353583} H2 1312 -1 8 {} O 0.0 {0.523551 0.437193 0.336961} O4 1313 -1 1 {} H 0.0 {0.611033 0.362306 0.362145} H3 1314 -1 8 {} O 0.0 {0.502259 0.429992 0.379858} O5 1315 -1 1 {} H 0.0 {0.494717 0.435486 0.375566} H4 1316 -1 8 {} O 0.0 {0.525842 0.434862 0.386131} O6 1317 -1 1 {} H 0.0 {0.530642 0.488439 0.403398} H5 1318 -1 8 {} O 0.0 {0.512276 0.45179 0.373625} O7 1319 -1 1 {} H 0.0 {0.504282 0.410521 0.378733} H6 1320 -1 8 {} O 0.0 {0.665472 0.436398 0.550684} O1 1321 -1 14 {} Si 0.0 {0.431608 0.685364 0.499221} Si1 1322 -1 14 {} Si 0.0 {0.403201 0.678991 0.491103} Si2 1323 -1 8 {} O 0.0 {0.5816 0.542614 0.707107} O2 1324 -1 1 {} H 0.0 {0.587217 0.539471 0.699233} H1 1325 -1 8 {} O 0.0 {0.640963 0.877405 0.95038} O3 1326 -1 1 {} H 0.0 {0.545001 0.624638 0.343737} H2 1327 -1 8 {} O 0.0 {0.399518 0.688936 0.479917} O4 1328 -1 1 {} H 0.0 {0.407059 0.694342 0.477475} H3 1329 -1 8 {} O 0.0 {0.405163 0.665414 0.483488} O5 1330 -1 1 {} H 0.0 {0.640911 0.362335 0.546475} H4 1331 -1 8 {} O 0.0 {0.416211 0.683333 0.499007} O6 1332 -1 1 {} H 0.0 {0.64247 0.589632 0.629702} H5 1333 -1 8 {} O 0.0 {0.392602 0.682392 0.501925} O7 1334 -1 1 {} H 0.0 {0.395929 0.687752 0.509093} H6 1335 -1 8 {} O 0.0 {0.470715 0.569459 0.324837} O1 1336 -1 14 {} Si 0.0 {0.470863 0.565036 0.339764} Si1 1337 -1 14 {} Si 0.0 {0.445522 0.554699 0.328998} Si2 1338 -1 8 {} O 0.0 {0.438608 0.576632 0.271997} O2 1339 -1 1 {} H 0.0 {0.57352 0.566634 0.692426} H1 1340 -1 8 {} O 0.0 {0.457271 0.556299 0.339114} O3 1341 -1 1 {} H 0.0 {0.432387 0.602882 0.3676} H2 1342 -1 8 {} O 0.0 {0.448272 0.541396 0.321811} O4 1343 -1 1 {} H 0.0 {0.443821 0.533739 0.326022} H3 1344 -1 8 {} O 0.0 {0.464408 0.578849 0.346289} O5 1345 -1 1 {} H 0.0 {0.682197 0.570998 0.534008} H4 1346 -1 8 {} O 0.0 {0.577844 0.568004 0.701395} O6 1347 -1 1 {} H 0.0 {0.407464 0.674076 0.612097} H5 1348 -1 8 {} O 0.0 {0.34699 0.49199 0.323799} O7 1349 -1 1 {} H 0.0 {0.340916 0.49923 0.323361} H6 1350 -1 8 {} O 0.0 {0.443481 0.542146 0.604712} O1 1351 -1 14 {} Si 0.0 {0.427794 0.538215 0.606894} Si1 1352 -1 14 {} Si 0.0 {0.45827 0.541985 0.60634} Si2 1353 -1 8 {} O 0.0 {0.465768 0.548898 0.594055} O2 1354 -1 1 {} H 0.0 {0.458713 0.553898 0.58889} H1 1355 -1 8 {} O 0.0 {0.464989 0.528013 0.606029} O3 1356 -1 1 {} H 0.0 {0.47445 0.528143 0.608071} H2 1357 -1 8 {} O 0.0 {0.463015 0.549806 0.618804} O4 1358 -1 1 {} H 0.0 {0.462229 0.559707 0.616538} H3 1359 -1 8 {} O 0.0 {0.420251 0.550816 0.610869} O5 1360 -1 1 {} H 0.0 {0.385811 0.60445 0.568588} H4 1361 -1 8 {} O 0.0 {0.422563 0.532764 0.593347} O6 1362 -1 1 {} H 0.0 {0.429635 0.532797 0.586875} H5 1363 -1 8 {} O 0.0 {0.425568 0.528305 0.618949} O7 1364 -1 1 {} H 0.0 {0.422835 0.5326 0.627229} H6 1365 -1 8 {} O 0.0 {0.396292 0.462478 0.364816} O1 1366 -1 14 {} Si 0.0 {0.385799 0.451879 0.358927} Si1 1367 -1 14 {} Si 0.0 {0.404952 0.475951 0.367494} Si2 1368 -1 8 {} O 0.0 {0.404797 0.484261 0.354114} O2 1369 -1 1 {} H 0.0 {0.36951 0.494272 0.422821} H1 1370 -1 8 {} O 0.0 {0.417057 0.470601 0.375323} O3 1371 -1 1 {} H 0.0 {0.419996 0.461664 0.37294} H2 1372 -1 8 {} O 0.0 {0.395327 0.483918 0.377494} O4 1373 -1 1 {} H 0.0 {0.388117 0.489874 0.372273} H3 1374 -1 8 {} O 0.0 {0.375247 0.459708 0.348367} O5 1375 -1 1 {} H 0.0 {0.343893 0.457923 0.359703} H4 1376 -1 8 {} O 0.0 {0.394216 0.443195 0.349835} O6 1377 -1 1 {} H 0.0 {0.443866 0.500659 0.382166} H5 1378 -1 8 {} O 0.0 {0.378632 0.443042 0.370048} O7 1379 -1 1 {} H 0.0 {0.436284 0.493088 0.305742} H6 1380 -1 8 {} O 0.0 {0.330312 0.442201 0.578972} O1 1381 -1 14 {} Si 0.0 {0.317876 0.444261 0.569416} Si1 1382 -1 14 {} Si 0.0 {0.341488 0.448892 0.587577} Si2 1383 -1 8 {} O 0.0 {0.33753 0.463039 0.592802} O2 1384 -1 1 {} H 0.0 {0.341054 0.469893 0.587513} H1 1385 -1 8 {} O 0.0 {0.354022 0.448221 0.579046} O3 1386 -1 1 {} H 0.0 {0.30008 0.414323 0.53871} H2 1387 -1 8 {} O 0.0 {0.345121 0.439747 0.600033} O4 1388 -1 1 {} H 0.0 {0.457354 0.327037 0.507975} H3 1389 -1 8 {} O 0.0 {0.319661 0.455341 0.559044} O5 1390 -1 1 {} H 0.0 {0.320964 0.450773 0.550271} H4 1391 -1 8 {} O 0.0 {0.316919 0.430552 0.561359} O6 1392 -1 1 {} H 0.0 {0.323839 0.424576 0.56402} H5 1393 -1 8 {} O 0.0 {0.30542 0.449577 0.577483} O7 1394 -1 1 {} H 0.0 {0.298452 0.449642 0.571288} H6 1395 -1 8 {} O 0.0 {0.571953 0.531746 0.40312} O1 1396 -1 14 {} Si 0.0 {0.58343 0.523441 0.409094} Si1 1397 -1 14 {} Si 0.0 {0.561035 0.535048 0.392694} Si2 1398 -1 8 {} O 0.0 {0.556565 0.522243 0.385276} O2 1399 -1 1 {} H 0.0 {0.564737 0.516686 0.384222} H1 1400 -1 8 {} O 0.0 {0.563122 0.546028 0.382} O3 1401 -1 1 {} H 0.0 {0.641818 0.461173 0.298302} H2 1402 -1 8 {} O 0.0 {0.548249 0.541635 0.398902} O4 1403 -1 1 {} H 0.0 {0.540415 0.540795 0.391989} H3 1404 -1 8 {} O 0.0 {0.588941 0.514148 0.397857} O5 1405 -1 1 {} H 0.0 {0.656505 0.503393 0.338488} H4 1406 -1 8 {} O 0.0 {0.592979 0.532875 0.417412} O6 1407 -1 1 {} H 0.0 {0.600141 0.527407 0.421087} H5 1408 -1 8 {} O 0.0 {0.577755 0.514282 0.420405} O7 1409 -1 1 {} H 0.0 {0.571532 0.519679 0.425191} H6 1410 -1 8 {} O 0.0 {0.27399 0.512519 0.530852} O1 1411 -1 14 {} Si 0.0 {0.275319 0.507484 0.515945} Si1 1412 -1 14 {} Si 0.0 {0.276454 0.523561 0.542043} Si2 1413 -1 8 {} O 0.0 {0.286427 0.534655 0.53685} O2 1414 -1 1 {} H 0.0 {0.299006 0.557142 0.47565} H1 1415 -1 8 {} O 0.0 {0.281647 0.518515 0.55577} O3 1416 -1 1 {} H 0.0 {0.283891 0.508906 0.555161} H2 1417 -1 8 {} O 0.0 {0.263882 0.532415 0.542224} O4 1418 -1 1 {} H 0.0 {0.257626 0.52981 0.534839} H3 1419 -1 8 {} O 0.0 {0.287003 0.516623 0.510411} O5 1420 -1 1 {} H 0.0 {0.294124 0.511032 0.50704} H4 1421 -1 8 {} O 0.0 {0.28018 0.49238 0.514877} O6 1422 -1 1 {} H 0.0 {0.564111 0.362124 0.363187} H5 1423 -1 8 {} O 0.0 {0.263471 0.511648 0.506132} O7 1424 -1 1 {} H 0.0 {0.266396 0.513848 0.496532} H6 1425 -1 8 {} O 0.0 {0.543385 0.526428 0.587275} O1 1426 -1 14 {} Si 0.0 {0.53254 0.515913 0.584012} Si1 1427 -1 14 {} Si 0.0 {0.558115 0.532157 0.587163} Si2 1428 -1 8 {} O 0.0 {0.568146 0.529068 0.57552} O2 1429 -1 1 {} H 0.0 {0.56323 0.529474 0.567169} H1 1430 -1 8 {} O 0.0 {0.563196 0.526481 0.601078} O3 1431 -1 1 {} H 0.0 {0.564379 0.533799 0.607023} H2 1432 -1 8 {} O 0.0 {0.557978 0.547662 0.588669} O4 1433 -1 1 {} H 0.0 {0.561057 0.55205 0.58093} H3 1434 -1 8 {} O 0.0 {0.533478 0.508796 0.569494} O5 1435 -1 1 {} H 0.0 {0.524651 0.506775 0.565895} H4 1436 -1 8 {} O 0.0 {0.529847 0.505088 0.595555} O6 1437 -1 1 {} H 0.0 {0.538068 0.502391 0.599078} H5 1438 -1 8 {} O 0.0 {0.519182 0.523876 0.583528} O7 1439 -1 1 {} H 0.0 {0.517397 0.528085 0.591984} H6 1440 -1 8 {} O 0.0 {0.543554 0.328806 0.31983} O1 1441 -1 14 {} Si 0.0 {0.540167 0.316565 0.311058} Si1 1442 -1 14 {} Si 0.0 {0.545939 0.343057 0.325965} Si2 1443 -1 8 {} O 0.0 {0.558026 0.343085 0.335564} O2 1444 -1 1 {} H 0.0 {0.556678 0.336645 0.343253} H1 1445 -1 8 {} O 0.0 {0.532849 0.347138 0.333635} O3 1446 -1 1 {} H 0.0 {0.525482 0.345584 0.327673} H2 1447 -1 8 {} O 0.0 {0.547289 0.354723 0.315821} O4 1448 -1 1 {} H 0.0 {0.551367 0.363278 0.318871} H3 1449 -1 8 {} O 0.0 {0.529394 0.320203 0.300292} O5 1450 -1 1 {} H 0.0 {0.5232 0.326461 0.301947} H4 1451 -1 8 {} O 0.0 {0.554133 0.31293 0.304072} O6 1452 -1 1 {} H 0.0 {0.560503 0.320012 0.304813} H5 1453 -1 8 {} O 0.0 {0.5358 0.304791 0.320393} O7 1454 -1 1 {} H 0.0 {0.527349 0.301159 0.317937} H6 1455 -1 8 {} O 0.0 {0.396448 0.541641 0.66131} O1 1456 -1 14 {} Si 0.0 {0.386295 0.549451 0.669612} Si1 1457 -1 14 {} Si 0.0 {0.409359 0.533852 0.658108} Si2 1458 -1 8 {} O 0.0 {0.407027 0.519046 0.653988} O2 1459 -1 1 {} H 0.0 {0.367694 0.529499 0.685777} H1 1460 -1 8 {} O 0.0 {0.417032 0.532939 0.671333} O3 1461 -1 1 {} H 0.0 {0.36853 0.514564 0.690256} H2 1462 -1 8 {} O 0.0 {0.417551 0.540743 0.647376} O4 1463 -1 1 {} H 0.0 {0.427114 0.54079 0.650262} H3 1464 -1 8 {} O 0.0 {0.371732 0.544376 0.668606} O5 1465 -1 1 {} H 0.0 {0.364635 0.551884 0.668048} H4 1466 -1 8 {} O 0.0 {0.388623 0.548486 0.685471} O6 1467 -1 1 {} H 0.0 {0.396675 0.543092 0.687345} H5 1468 -1 8 {} O 0.0 {0.385441 0.56482 0.665569} O7 1469 -1 1 {} H 0.0 {0.386567 0.565195 0.655817} H6 1470 -1 8 {} O 0.0 {0.609122 0.531543 0.665301} O1 1471 -1 14 {} Si 0.0 {0.623514 0.53323 0.661088} Si1 1472 -1 14 {} Si 0.0 {0.594887 0.529792 0.671938} Si2 1473 -1 8 {} O 0.0 {0.584742 0.531723 0.660113} O2 1474 -1 1 {} H 0.0 {0.585589 0.525298 0.652985} H1 1475 -1 8 {} O 0.0 {0.593333 0.542984 0.681358} O3 1476 -1 1 {} H 0.0 {0.597386 0.551297 0.678486} H2 1477 -1 8 {} O 0.0 {0.594713 0.516646 0.682407} O4 1478 -1 1 {} H 0.0 {0.584559 0.514546 0.685562} H3 1479 -1 8 {} O 0.0 {0.632181 0.540067 0.672021} O5 1480 -1 1 {} H 0.0 {0.641032 0.535923 0.672252} H4 1481 -1 8 {} O 0.0 {0.629822 0.520483 0.654921} O6 1482 -1 1 {} H 0.0 {0.623041 0.513602 0.652775} H5 1483 -1 8 {} O 0.0 {0.62441 0.544708 0.650185} O7 1484 -1 1 {} H 0.0 {0.621738 0.553544 0.654118} H6 1485 -1 8 {} O 0.0 {0.431987 0.445392 0.373915} O1 1486 -1 14 {} Si 0.0 {0.431058 0.438932 0.359687} Si1 1487 -1 14 {} Si 0.0 {0.566776 0.60286 0.661458} Si2 1488 -1 8 {} O 0.0 {0.564504 0.588966 0.654404} O2 1489 -1 1 {} H 0.0 {0.572023 0.583172 0.656881} H1 1490 -1 8 {} O 0.0 {0.558847 0.602166 0.674651} O3 1491 -1 1 {} H 0.0 {0.580237 0.554596 0.705284} H2 1492 -1 8 {} O 0.0 {0.481364 0.391203 0.286498} O4 1493 -1 1 {} H 0.0 {0.478107 0.400413 0.285798} H3 1494 -1 8 {} O 0.0 {0.444646 0.43887 0.352357} O5 1495 -1 1 {} H 0.0 {0.537728 0.69637 0.535659} H4 1496 -1 8 {} O 0.0 {0.426079 0.423616 0.360622} O6 1497 -1 1 {} H 0.0 {0.475665 0.422327 0.280108} H5 1498 -1 8 {} O 0.0 {0.421652 0.447805 0.350475} O7 1499 -1 1 {} H 0.0 {0.42419 0.447108 0.340603} H6 1500 -1 8 {} O 0.0 {0.377359 0.417286 0.411359} O1 1501 -1 14 {} Si 0.0 {0.364405 0.415873 0.4208} Si1 1502 -1 14 {} Si 0.0 {0.387021 0.427764 0.404139} Si2 1503 -1 8 {} O 0.0 {0.390345 0.42594 0.388287} O2 1504 -1 1 {} H 0.0 {0.383669 0.431235 0.383361} H1 1505 -1 8 {} O 0.0 {0.298536 0.385403 0.475417} O3 1506 -1 1 {} H 0.0 {0.299968 0.39351 0.480834} H2 1507 -1 8 {} O 0.0 {0.398437 0.434798 0.412512} O4 1508 -1 1 {} H 0.0 {0.396774 0.444634 0.413461} H3 1509 -1 8 {} O 0.0 {0.356051 0.402639 0.418203} O5 1510 -1 1 {} H 0.0 {0.34873 0.404268 0.412069} H4 1511 -1 8 {} O 0.0 {0.370061 0.416556 0.435698} O6 1512 -1 1 {} H 0.0 {0.309185 0.413623 0.517385} H5 1513 -1 8 {} O 0.0 {0.297927 0.411036 0.489347} O7 1514 -1 1 {} H 0.0 {0.310883 0.430624 0.446635} H6 1515 -1 8 {} O 0.0 {0.541316 0.467848 0.392492} O1 1516 -1 14 {} Si 0.0 {0.531837 0.467593 0.404765} Si1 1517 -1 14 {} Si 0.0 {0.546917 0.473085 0.35467} Si2 1518 -1 8 {} O 0.0 {0.555401 0.486388 0.357341} O2 1519 -1 1 {} H 0.0 {0.6078 0.458598 0.467016} H1 1520 -1 8 {} O 0.0 {0.549269 0.467272 0.340835} O3 1521 -1 1 {} H 0.0 {0.607481 0.516738 0.294794} H2 1522 -1 8 {} O 0.0 {0.532561 0.477699 0.351893} O4 1523 -1 1 {} H 0.0 {0.521212 0.446161 0.34102} H3 1524 -1 8 {} O 0.0 {0.535836 0.456787 0.415884} O5 1525 -1 1 {} H 0.0 {0.515471 0.487053 0.358794} H4 1526 -1 8 {} O 0.0 {0.528306 0.481466 0.410164} O6 1527 -1 1 {} H 0.0 {0.5288 0.451026 0.417771} H5 1528 -1 8 {} O 0.0 {0.517779 0.463211 0.399085} O7 1529 -1 1 {} H 0.0 {0.517828 0.457487 0.391864} H6 1530 -1 8 {} O 0.0 {0.691416 0.502583 0.450605} O1 1531 -1 14 {} Si 0.0 {0.684494 0.489703 0.44702} Si1 1532 -1 14 {} Si 0.0 {0.703477 0.512962 0.44889} Si2 1533 -1 8 {} O 0.0 {0.698701 0.524083 0.439561} O2 1534 -1 1 {} H 0.0 {0.706684 0.526578 0.434328} H1 1535 -1 8 {} O 0.0 {0.717659 0.508904 0.445078} O3 1536 -1 1 {} H 0.0 {0.722834 0.508789 0.453252} H2 1537 -1 8 {} O 0.0 {0.702733 0.520566 0.462861} O4 1538 -1 1 {} H 0.0 {0.693434 0.522504 0.464799} H3 1539 -1 8 {} O 0.0 {0.694829 0.478672 0.445546} O5 1540 -1 1 {} H 0.0 {0.698879 0.476266 0.454181} H4 1541 -1 8 {} O 0.0 {0.675735 0.486616 0.458704} O6 1542 -1 1 {} H 0.0 {0.679502 0.478375 0.463114} H5 1543 -1 8 {} O 0.0 {0.674472 0.488502 0.435156} O7 1544 -1 1 {} H 0.0 {0.53847 0.609657 0.323532} H6 1545 -1 8 {} O 0.0 {0.432219 0.419723 0.589436} O1 1546 -1 14 {} Si 0.0 {0.435167 0.417768 0.60488} Si1 1547 -1 14 {} Si 0.0 {0.434886 0.428501 0.576728} Si2 1548 -1 8 {} O 0.0 {0.411995 0.462944 0.584154} O2 1549 -1 1 {} H 0.0 {0.406519 0.456835 0.590208} H1 1550 -1 8 {} O 0.0 {0.426826 0.441986 0.577855} O3 1551 -1 1 {} H 0.0 {0.402645 0.337401 0.411031} H2 1552 -1 8 {} O 0.0 {0.428487 0.421404 0.564214} O4 1553 -1 1 {} H 0.0 {0.420529 0.389988 0.536601} H3 1554 -1 8 {} O 0.0 {0.434513 0.431319 0.612776} O5 1555 -1 1 {} H 0.0 {0.443205 0.434391 0.614988} H4 1556 -1 8 {} O 0.0 {0.425023 0.406596 0.60941} O6 1557 -1 1 {} H 0.0 {0.423156 0.401037 0.601748} H5 1558 -1 8 {} O 0.0 {0.448521 0.411401 0.608856} O7 1559 -1 1 {} H 0.0 {0.448919 0.402305 0.605327} H6 1560 -1 8 {} O 0.0 {0.626538 0.626135 0.566078} O1 1561 -1 14 {} Si 0.0 {0.632629 0.628591 0.580394} Si1 1562 -1 14 {} Si 0.0 {0.61603 0.630581 0.555351} Si2 1563 -1 8 {} O 0.0 {0.625005 0.633077 0.542344} O2 1564 -1 1 {} H 0.0 {0.633194 0.629048 0.544206} H1 1565 -1 8 {} O 0.0 {0.607651 0.642991 0.560522} O3 1566 -1 1 {} H 0.0 {0.647496 0.607193 0.620349} H2 1567 -1 8 {} O 0.0 {0.606398 0.619849 0.549873} O4 1568 -1 1 {} H 0.0 {0.603255 0.622456 0.540897} H3 1569 -1 8 {} O 0.0 {0.63256 0.614885 0.588915} O5 1570 -1 1 {} H 0.0 {0.638654 0.60864 0.585066} H4 1571 -1 8 {} O 0.0 {0.647867 0.630352 0.579448} O6 1572 -1 1 {} H 0.0 {0.651113 0.635218 0.587238} H5 1573 -1 8 {} O 0.0 {0.626128 0.639305 0.589631} O7 1574 -1 1 {} H 0.0 {0.616645 0.639638 0.586267} H6 1575 -1 8 {} O 0.0 {0.580907 0.496931 0.335677} O1 1576 -1 14 {} Si 0.0 {0.570534 0.504037 0.327324} Si1 1577 -1 14 {} Si 0.0 {0.562878 0.657757 0.446005} Si2 1578 -1 8 {} O 0.0 {0.566176 0.673796 0.436035} O2 1579 -1 1 {} H 0.0 {0.547278 0.677128 0.480045} H1 1580 -1 8 {} O 0.0 {0.547116 0.666472 0.435229} O3 1581 -1 1 {} H 0.0 {0.533802 0.688112 0.463199} H2 1582 -1 8 {} O 0.0 {0.549573 0.532253 0.357623} O4 1583 -1 1 {} H 0.0 {0.542492 0.539003 0.358541} H3 1584 -1 8 {} O 0.0 {0.571943 0.503261 0.311709} O5 1585 -1 1 {} H 0.0 {0.564771 0.508019 0.306059} H4 1586 -1 8 {} O 0.0 {0.556292 0.50289 0.332896} O6 1587 -1 1 {} H 0.0 {0.616457 0.553815 0.394632} H5 1588 -1 8 {} O 0.0 {0.575716 0.519339 0.327856} O7 1589 -1 1 {} H 0.0 {0.455629 0.380855 0.452281} H6 1590 -1 8 {} O 0.0 {0.353171 0.356854 0.379006} O1 1591 -1 14 {} Si 0.0 {0.361506 0.353263 0.391226} Si1 1592 -1 14 {} Si 0.0 {0.648471 0.508106 0.587479} Si2 1593 -1 8 {} O 0.0 {0.662889 0.504142 0.589372} O2 1594 -1 1 {} H 0.0 {0.71037 0.415511 0.471699} H1 1595 -1 8 {} O 0.0 {0.685709 0.375177 0.483902} O3 1596 -1 1 {} H 0.0 {0.681769 0.366627 0.483697} H2 1597 -1 8 {} O 0.0 {0.645097 0.513412 0.602294} O4 1598 -1 1 {} H 0.0 {0.54207 0.55577 0.598988} H3 1599 -1 8 {} O 0.0 {0.364981 0.367497 0.397068} O5 1600 -1 1 {} H 0.0 {0.42148 0.32222 0.405431} H4 1601 -1 8 {} O 0.0 {0.354152 0.345537 0.402132} O6 1602 -1 1 {} H 0.0 {0.526793 0.356521 0.350166} H5 1603 -1 8 {} O 0.0 {0.71653 0.411675 0.477786} O7 1604 -1 1 {} H 0.0 {0.711547 0.407243 0.484346} H6 1605 -1 8 {} O 0.0 {0.470005 0.502797 0.671053} O1 1606 -1 14 {} Si 0.0 {0.470841 0.491078 0.681219} Si1 1607 -1 14 {} Si 0.0 {0.467024 0.508286 0.656395} Si2 1608 -1 8 {} O 0.0 {0.452792 0.51467 0.658267} O2 1609 -1 1 {} H 0.0 {0.448176 0.508815 0.66434} H1 1610 -1 8 {} O 0.0 {0.467798 0.496129 0.646697} O3 1611 -1 1 {} H 0.0 {0.583171 0.473478 0.683267} H2 1612 -1 8 {} O 0.0 {0.478929 0.518125 0.651428} O4 1613 -1 1 {} H 0.0 {0.477338 0.52664 0.655292} H3 1614 -1 8 {} O 0.0 {0.48476 0.488812 0.687564} O5 1615 -1 1 {} H 0.0 {0.48743 0.496888 0.692817} H4 1616 -1 8 {} O 0.0 {0.462662 0.49402 0.694137} O6 1617 -1 1 {} H 0.0 {0.462778 0.4866 0.700601} H5 1618 -1 8 {} O 0.0 {0.46848 0.477367 0.673275} O7 1619 -1 1 {} H 0.0 {0.644098 0.490881 0.618902} H6 1620 -1 8 {} O 0.0 {0.645576 0.448174 0.593553} O1 1621 -1 14 {} Si 0.0 {0.652052 0.451959 0.579675} Si1 1622 -1 14 {} Si 0.0 {0.638152 0.439013 0.603533} Si2 1623 -1 8 {} O 0.0 {0.625541 0.431962 0.598248} O2 1624 -1 1 {} H 0.0 {0.691546 0.412914 0.500802} H1 1625 -1 8 {} O 0.0 {0.634413 0.446278 0.617255} O3 1626 -1 1 {} H 0.0 {0.627285 0.452199 0.614981} H2 1627 -1 8 {} O 0.0 {0.64765 0.427939 0.609051} O4 1628 -1 1 {} H 0.0 {0.642468 0.420971 0.613704} H3 1629 -1 8 {} O 0.0 {0.641165 0.450417 0.568346} O5 1630 -1 1 {} H 0.0 {0.636985 0.45919 0.566364} H4 1631 -1 8 {} O 0.0 {0.654643 0.467171 0.581159} O6 1632 -1 1 {} H 0.0 {0.646551 0.471982 0.581426} H5 1633 -1 8 {} O 0.0 {0.664564 0.443217 0.576274} O7 1634 -1 1 {} H 0.0 {0.664257 0.440353 0.566967} H6 1635 -1 8 {} O 0.0 {0.555537 0.647417 0.406075} O1 1636 -1 14 {} Si 0.0 {0.562333 0.662001 0.405068} Si1 1637 -1 14 {} Si 0.0 {0.544282 0.638443 0.411257} Si2 1638 -1 8 {} O 0.0 {0.548721 0.626846 0.420914} O2 1639 -1 1 {} H 0.0 {0.487964 0.710903 0.470284} H1 1640 -1 8 {} O 0.0 {0.535646 0.63355 0.399313} O3 1641 -1 1 {} H 0.0 {0.480317 0.6785 0.53482} H2 1642 -1 8 {} O 0.0 {0.53414 0.646764 0.419675} O4 1643 -1 1 {} H 0.0 {0.537133 0.655595 0.422356} H3 1644 -1 8 {} O 0.0 {0.269071 0.586923 0.496261} O5 1645 -1 1 {} H 0.0 {0.273632 0.578747 0.496881} H4 1646 -1 8 {} O 0.0 {0.555347 0.383027 0.668265} O6 1647 -1 1 {} H 0.0 {0.482515 0.455612 0.690972} H5 1648 -1 8 {} O 0.0 {0.576825 0.659784 0.410428} O7 1649 -1 1 {} H 0.0 {0.577511 0.663705 0.419369} H6 1650 -1 8 {} O 0.0 {0.420866 0.625195 0.539665} O1 1651 -1 14 {} Si 0.0 {0.421794 0.633609 0.526498} Si1 1652 -1 14 {} Si 0.0 {0.423034 0.617342 0.552502} Si2 1653 -1 8 {} O 0.0 {0.415051 0.625149 0.563851} O2 1654 -1 1 {} H 0.0 {0.47674 0.633202 0.578072} H1 1655 -1 8 {} O 0.0 {0.438183 0.616232 0.554404} O3 1656 -1 1 {} H 0.0 {0.393565 0.616944 0.590474} H2 1657 -1 8 {} O 0.0 {0.41945 0.602906 0.549573} O4 1658 -1 1 {} H 0.0 {0.482709 0.663919 0.554625} H3 1659 -1 8 {} O 0.0 {0.427685 0.647746 0.528579} O5 1660 -1 1 {} H 0.0 {0.437267 0.648375 0.531021} H4 1661 -1 8 {} O 0.0 {0.430056 0.629156 0.514451} O6 1662 -1 1 {} H 0.0 {0.429728 0.634961 0.506833} H5 1663 -1 8 {} O 0.0 {0.406943 0.636265 0.522383} O7 1664 -1 1 {} H 0.0 {0.40269 0.642291 0.528234} H6 1665 -1 8 {} O 0.0 {0.399612 0.597687 0.299915} O1 1666 -1 14 {} Si 0.0 {0.388239 0.597359 0.311112} Si1 1667 -1 14 {} Si 0.0 {0.414456 0.594353 0.297233} Si2 1668 -1 8 {} O 0.0 {0.424232 0.604666 0.291133} O2 1669 -1 1 {} H 0.0 {0.628577 0.376342 0.373256} H1 1670 -1 8 {} O 0.0 {0.414276 0.581412 0.288297} O3 1671 -1 1 {} H 0.0 {0.412101 0.573728 0.293821} H2 1672 -1 8 {} O 0.0 {0.419486 0.591301 0.311855} O4 1673 -1 1 {} H 0.0 {0.651528 0.588303 0.420392} H3 1674 -1 8 {} O 0.0 {0.376524 0.588304 0.307292} O5 1675 -1 1 {} H 0.0 {0.323662 0.5697 0.506315} H4 1676 -1 8 {} O 0.0 {0.710931 0.461959 0.457465} O6 1677 -1 1 {} H 0.0 {0.677598 0.38459 0.455919} H5 1678 -1 8 {} O 0.0 {0.38473 0.612287 0.316187} O7 1679 -1 1 {} H 0.0 {0.392389 0.615804 0.320658} H6 1680 -1 8 {} O 0.0 {0.529918 0.365515 0.489487} O1 1681 -1 14 {} Si 0.0 {0.523241 0.363831 0.503213} Si1 1682 -1 14 {} Si 0.0 {0.537284 0.372459 0.477714} Si2 1683 -1 8 {} O 0.0 {0.543522 0.362663 0.467487} O2 1684 -1 1 {} H 0.0 {0.702419 0.398906 0.530742} H1 1685 -1 8 {} O 0.0 {0.547879 0.383923 0.480697} O3 1686 -1 1 {} H 0.0 {0.571674 0.386329 0.532674} H2 1687 -1 8 {} O 0.0 {0.525224 0.378603 0.469984} O4 1688 -1 1 {} H 0.0 {0.517035 0.372976 0.4709} H3 1689 -1 8 {} O 0.0 {0.510267 0.372333 0.502891} O5 1690 -1 1 {} H 0.0 {0.632549 0.369676 0.472418} H4 1691 -1 8 {} O 0.0 {0.613117 0.456501 0.696824} O6 1692 -1 1 {} H 0.0 {0.622269 0.458348 0.692065} H5 1693 -1 8 {} O 0.0 {0.533353 0.368408 0.513996} O7 1694 -1 1 {} H 0.0 {0.537822 0.360292 0.517453} H6 1695 -1 8 {} O 0.0 {0.510342 0.5074 0.385346} O1 1696 -1 14 {} Si 0.0 {0.518205 0.516631 0.394905} Si1 1697 -1 14 {} Si 0.0 {0.505214 0.49755 0.374349} Si2 1698 -1 8 {} O 0.0 {0.492075 0.502755 0.367954} O2 1699 -1 1 {} H 0.0 {0.487437 0.509005 0.373944} H1 1700 -1 8 {} O 0.0 {0.502679 0.483833 0.380734} O3 1701 -1 1 {} H 0.0 {0.507182 0.482157 0.389318} H2 1702 -1 8 {} O 0.0 {0.515161 0.496001 0.362569} O4 1703 -1 1 {} H 0.0 {0.415046 0.489794 0.341346} H3 1704 -1 8 {} O 0.0 {0.569083 0.495591 0.381296} O5 1705 -1 1 {} H 0.0 {0.561632 0.494741 0.375025} H4 1706 -1 8 {} O 0.0 {0.509491 0.519748 0.407002} O6 1707 -1 1 {} H 0.0 {0.582794 0.365442 0.350846} H5 1708 -1 8 {} O 0.0 {0.530845 0.507496 0.397435} O7 1709 -1 1 {} H 0.0 {0.538036 0.510554 0.391542} H6 1710 -1 8 {} O 0.0 {0.301874 0.549035 0.447148} O1 1711 -1 14 {} Si 0.0 {0.314702 0.552634 0.454988} Si1 1712 -1 14 {} Si 0.0 {0.288035 0.544417 0.441267} Si2 1713 -1 8 {} O 0.0 {0.289576 0.530417 0.434324} O2 1714 -1 1 {} H 0.0 {0.456328 0.622385 0.546808} H1 1715 -1 8 {} O 0.0 {0.282699 0.556606 0.433941} O3 1716 -1 1 {} H 0.0 {0.284868 0.55662 0.423981} H2 1717 -1 8 {} O 0.0 {0.279356 0.540702 0.453572} O4 1718 -1 1 {} H 0.0 {0.282778 0.545526 0.46087} H3 1719 -1 8 {} O 0.0 {0.325091 0.560083 0.446197} O5 1720 -1 1 {} H 0.0 {0.334603 0.487807 0.433554} H4 1721 -1 8 {} O 0.0 {0.312626 0.560434 0.46844} O6 1722 -1 1 {} H 0.0 {0.28137 0.534605 0.500365} H5 1723 -1 8 {} O 0.0 {0.320893 0.539506 0.458694} O7 1724 -1 1 {} H 0.0 {0.305469 0.57349 0.463072} H6 1725 -1 8 {} O 0.0 {0.659127 0.378142 0.437002} O1 1726 -1 14 {} Si 0.0 {0.666758 0.368721 0.446457} Si1 1727 -1 14 {} Si 0.0 {0.657257 0.386361 0.42374} Si2 1728 -1 8 {} O 0.0 {0.653842 0.378321 0.41094} O2 1729 -1 1 {} H 0.0 {0.557075 0.447751 0.291693} H1 1730 -1 8 {} O 0.0 {0.669202 0.39657 0.42059} O3 1731 -1 1 {} H 0.0 {0.670838 0.400822 0.429218} H2 1732 -1 8 {} O 0.0 {0.644891 0.395975 0.425333} O4 1733 -1 1 {} H 0.0 {0.641477 0.394706 0.434577} H3 1734 -1 8 {} O 0.0 {0.669765 0.354692 0.4406} O5 1735 -1 1 {} H 0.0 {0.57615 0.379193 0.630752} H4 1736 -1 8 {} O 0.0 {0.677974 0.375355 0.455334} O6 1737 -1 1 {} H 0.0 {0.381325 0.481512 0.277622} H5 1738 -1 8 {} O 0.0 {0.65623 0.365319 0.45745} O7 1739 -1 1 {} H 0.0 {0.592867 0.375837 0.330304} H6 1740 -1 8 {} O 0.0 {0.288704 0.602072 0.443371} O1 1741 -1 14 {} Si 0.0 {0.28607 0.593949 0.42938} Si1 1742 -1 14 {} Si 0.0 {0.305361 0.575456 0.414283} Si2 1743 -1 8 {} O 0.0 {0.293593 0.56438 0.410371} O2 1744 -1 1 {} H 0.0 {0.296656 0.556337 0.405008} H1 1745 -1 8 {} O 0.0 {0.317464 0.567855 0.420391} O3 1746 -1 1 {} H 0.0 {0.462139 0.635872 0.544135} H2 1747 -1 8 {} O 0.0 {0.309337 0.583964 0.402354} O4 1748 -1 1 {} H 0.0 {0.4344 0.578211 0.263369} H3 1749 -1 8 {} O 0.0 {0.34638 0.67477 0.48267} O5 1750 -1 1 {} H 0.0 {0.269226 0.520987 0.374449} H4 1751 -1 8 {} O 0.0 {0.273305 0.5843 0.428352} O6 1752 -1 1 {} H 0.0 {0.27644 0.575284 0.428922} H5 1753 -1 8 {} O 0.0 {0.282374 0.603834 0.41729} O7 1754 -1 1 {} H 0.0 {0.275713 0.599801 0.412398} H6 1755 -1 8 {} O 0.0 {0.345476 0.483042 0.492826} O1 1756 -1 14 {} Si 0.0 {0.334782 0.484103 0.510441} Si1 1757 -1 14 {} Si 0.0 {0.356769 0.478347 0.483872} Si2 1758 -1 8 {} O 0.0 {0.370919 0.476247 0.490794} O2 1759 -1 1 {} H 0.0 {0.375748 0.468677 0.486735} H1 1760 -1 8 {} O 0.0 {0.357576 0.489368 0.472555} O3 1761 -1 1 {} H 0.0 {0.355668 0.498212 0.475129} H2 1762 -1 8 {} O 0.0 {0.352585 0.465936 0.475325} O4 1763 -1 1 {} H 0.0 {0.423574 0.39037 0.472974} H3 1764 -1 8 {} O 0.0 {0.350365 0.485889 0.516365} O5 1765 -1 1 {} H 0.0 {0.35618 0.484376 0.508452} H4 1766 -1 8 {} O 0.0 {0.32792 0.497228 0.519} O6 1767 -1 1 {} H 0.0 {0.335264 0.504116 0.519826} H5 1768 -1 8 {} O 0.0 {0.321868 0.480234 0.494879} O7 1769 -1 1 {} H 0.0 {0.329483 0.477626 0.489444} H6 1770 -1 8 {} O 0.0 {0.489514 0.460305 0.354095} O1 1771 -1 14 {} Si 0.0 {0.476881 0.458574 0.362349} Si1 1772 -1 14 {} Si 0.0 {0.50062 0.464111 0.343246} Si2 1773 -1 8 {} O 0.0 {0.501254 0.479827 0.340396} O2 1774 -1 1 {} H 0.0 {0.507812 0.414262 0.354679} H1 1775 -1 8 {} O 0.0 {0.496382 0.45837 0.328975} O3 1776 -1 1 {} H 0.0 {0.522103 0.380647 0.667704} H2 1777 -1 8 {} O 0.0 {0.513875 0.458259 0.348264} O4 1778 -1 1 {} H 0.0 {0.51312 0.455115 0.364245} H3 1779 -1 8 {} O 0.0 {0.477912 0.4681 0.37424} O5 1780 -1 1 {} H 0.0 {0.486756 0.472848 0.374265} H4 1781 -1 8 {} O 0.0 {0.465139 0.462418 0.352677} O6 1782 -1 1 {} H 0.0 {0.535424 0.456126 0.293062} H5 1783 -1 8 {} O 0.0 {0.476899 0.443603 0.367169} O7 1784 -1 1 {} H 0.0 {0.430268 0.440931 0.38216} H6 1785 -1 8 {} O 0.0 {0.660873 0.539877 0.4345} O1 1786 -1 14 {} Si 0.0 {0.655622 0.525035 0.433907} Si1 1787 -1 14 {} Si 0.0 {0.665653 0.552373 0.427041} Si2 1788 -1 8 {} O 0.0 {0.654354 0.56052 0.420152} O2 1789 -1 1 {} H 0.0 {0.646047 0.559429 0.424666} H1 1790 -1 8 {} O 0.0 {0.675218 0.548724 0.415663} O3 1791 -1 1 {} H 0.0 {0.628264 0.552738 0.466211} H2 1792 -1 8 {} O 0.0 {0.672629 0.561489 0.437396} O4 1793 -1 1 {} H 0.0 {0.613152 0.591645 0.488252} H3 1794 -1 8 {} O 0.0 {0.655623 0.520182 0.449219} O5 1795 -1 1 {} H 0.0 {0.538156 0.600417 0.55643} H4 1796 -1 8 {} O 0.0 {0.666162 0.517264 0.426389} O6 1797 -1 1 {} H 0.0 {0.606486 0.585762 0.456231} H5 1798 -1 8 {} O 0.0 {0.409388 0.436529 0.67616} O7 1799 -1 1 {} H 0.0 {0.416242 0.439303 0.669469} H6 1800 -1 8 {} O 0.0 {0.444338 0.387797 0.398504} O1 1801 -1 14 {} Si 0.0 {0.446646 0.394803 0.384845} Si1 1802 -1 14 {} Si 0.0 {0.440673 0.387064 0.413383} Si2 1803 -1 8 {} O 0.0 {0.432473 0.399235 0.417291} O2 1804 -1 1 {} H 0.0 {0.430988 0.404391 0.408628} H1 1805 -1 8 {} O 0.0 {0.453969 0.386317 0.422096} O3 1806 -1 1 {} H 0.0 {0.460664 0.390304 0.417042} H2 1807 -1 8 {} O 0.0 {0.43207 0.374349 0.414963} O4 1808 -1 1 {} H 0.0 {0.424286 0.373402 0.40979} H3 1809 -1 8 {} O 0.0 {0.436456 0.406666 0.385739} O5 1810 -1 1 {} H 0.0 {0.434305 0.408191 0.376236} H4 1811 -1 8 {} O 0.0 {0.460293 0.402232 0.383388} O6 1812 -1 1 {} H 0.0 {0.461748 0.408454 0.390372} H5 1813 -1 8 {} O 0.0 {0.444595 0.386086 0.372279} O7 1814 -1 1 {} H 0.0 {0.4403 0.378 0.375211} H6 1815 -1 8 {} O 0.0 {0.596394 0.666863 0.488634} O1 1816 -1 14 {} Si 0.0 {0.584796 0.675831 0.493727} Si1 1817 -1 14 {} Si 0.0 {0.611301 0.665769 0.48459} Si2 1818 -1 8 {} O 0.0 {0.614305 0.651102 0.479718} O2 1819 -1 1 {} H 0.0 {0.605624 0.647217 0.476946} H1 1820 -1 8 {} O 0.0 {0.348887 0.526881 0.34245} O3 1821 -1 1 {} H 0.0 {0.61214 0.674988 0.470527} H2 1822 -1 8 {} O 0.0 {0.410113 0.61581 0.496621} O4 1823 -1 1 {} H 0.0 {0.412364 0.621908 0.504342} H3 1824 -1 8 {} O 0.0 {0.588579 0.69059 0.491226} O5 1825 -1 1 {} H 0.0 {0.584963 0.6926 0.482914} H4 1826 -1 8 {} O 0.0 {0.572559 0.672829 0.484177} O6 1827 -1 1 {} H 0.0 {0.381395 0.59538 0.338769} H5 1828 -1 8 {} O 0.0 {0.585277 0.675452 0.509571} O7 1829 -1 1 {} H 0.0 {0.591413 0.668651 0.51199} H6 1830 -1 8 {} O 0.0 {0.614546 0.480124 0.362512} O1 1831 -1 14 {} Si 0.0 {0.607312 0.474915 0.349434} Si1 1832 -1 14 {} Si 0.0 {0.62714 0.482756 0.371399} Si2 1833 -1 8 {} O 0.0 {0.639006 0.474508 0.364631} O2 1834 -1 1 {} H 0.0 {0.625424 0.502657 0.364612} H1 1835 -1 8 {} O 0.0 {0.626417 0.476404 0.386028} O3 1836 -1 1 {} H 0.0 {0.436504 0.599758 0.422004} H2 1837 -1 8 {} O 0.0 {0.630007 0.498247 0.371653} O4 1838 -1 1 {} H 0.0 {0.608095 0.519521 0.358551} H3 1839 -1 8 {} O 0.0 {0.592197 0.477534 0.353076} O5 1840 -1 1 {} H 0.0 {0.288263 0.478857 0.378726} H4 1841 -1 8 {} O 0.0 {0.612066 0.481756 0.336424} O6 1842 -1 1 {} H 0.0 {0.566296 0.461377 0.306015} H5 1843 -1 8 {} O 0.0 {0.610062 0.459375 0.34962} O7 1844 -1 1 {} H 0.0 {0.603854 0.454332 0.35489} H6 1845 -1 8 {} O 0.0 {0.371897 0.514679 0.395912} O1 1846 -1 14 {} Si 0.0 {0.379404 0.527506 0.39} Si1 1847 -1 14 {} Si 0.0 {0.36544 0.501623 0.402281} Si2 1848 -1 8 {} O 0.0 {0.365059 0.491531 0.390747} O2 1849 -1 1 {} H 0.0 {0.371284 0.49524 0.382553} H1 1850 -1 8 {} O 0.0 {0.351607 0.507691 0.40788} O3 1851 -1 1 {} H 0.0 {0.350678 0.518257 0.404094} H2 1852 -1 8 {} O 0.0 {0.374452 0.495845 0.41375} O4 1853 -1 1 {} H 0.0 {0.354869 0.459854 0.437265} H3 1854 -1 8 {} O 0.0 {0.385033 0.522156 0.376333} O5 1855 -1 1 {} H 0.0 {0.380542 0.512992 0.373916} H4 1856 -1 8 {} O 0.0 {0.368706 0.538466 0.386681} O6 1857 -1 1 {} H 0.0 {0.359698 0.537218 0.392721} H5 1858 -1 8 {} O 0.0 {0.391159 0.534639 0.399042} O7 1859 -1 1 {} H 0.0 {0.398081 0.528269 0.400866} H6 1860 -1 8 {} O 0.0 {0.585478 0.640094 0.616937} O1 1861 -1 14 {} Si 0.0 {0.596996 0.643557 0.606789} Si1 1862 -1 14 {} Si 0.0 {0.579605 0.634499 0.629826} Si2 1863 -1 8 {} O 0.0 {0.589123 0.63686 0.641312} O2 1864 -1 1 {} H 0.0 {0.593486 0.646036 0.64034} H1 1865 -1 8 {} O 0.0 {0.575868 0.618992 0.629669} O3 1866 -1 1 {} H 0.0 {0.536692 0.627387 0.656524} H2 1867 -1 8 {} O 0.0 {0.565746 0.64123 0.633126} O4 1868 -1 1 {} H 0.0 {0.563118 0.647168 0.625811} H3 1869 -1 8 {} O 0.0 {0.592292 0.656975 0.599404} O5 1870 -1 1 {} H 0.0 {0.583114 0.657382 0.598027} H4 1871 -1 8 {} O 0.0 {0.610723 0.644375 0.612938} O6 1872 -1 1 {} H 0.0 {0.617378 0.642594 0.606295} H5 1873 -1 8 {} O 0.0 {0.597817 0.63406 0.59473} O7 1874 -1 1 {} H 0.0 {0.593182 0.626474 0.596972} H6 1875 -1 8 {} O 0.0 {0.519682 0.656985 0.514614} O1 1876 -1 14 {} Si 0.0 {0.512768 0.656358 0.528441} Si1 1877 -1 14 {} Si 0.0 {0.523853 0.662393 0.50057} Si2 1878 -1 8 {} O 0.0 {0.497582 0.652776 0.526645} O2 1879 -1 1 {} H 0.0 {0.493917 0.653967 0.518212} H1 1880 -1 8 {} O 0.0 {0.3743 0.594969 0.345227} O3 1881 -1 1 {} H 0.0 {0.556267 0.692204 0.45078} H2 1882 -1 8 {} O 0.0 {0.539658 0.661131 0.498685} O4 1883 -1 1 {} H 0.0 {0.542975 0.618966 0.419753} H3 1884 -1 8 {} O 0.0 {0.686355 0.577041 0.540171} O5 1885 -1 1 {} H 0.0 {0.594055 0.632239 0.398829} H4 1886 -1 8 {} O 0.0 {0.515008 0.34239 0.536194} O6 1887 -1 1 {} H 0.0 {0.343248 0.589082 0.349228} H5 1888 -1 8 {} O 0.0 {0.512602 0.670649 0.534794} O7 1889 -1 1 {} H 0.0 {0.504107 0.675276 0.532933} H6 1890 -1 8 {} O 0.0 {0.540461 0.540079 0.451718} O1 1891 -1 14 {} Si 0.0 {0.532687 0.537299 0.464804} Si1 1892 -1 14 {} Si 0.0 {0.546569 0.538523 0.43734} Si2 1893 -1 8 {} O 0.0 {0.551791 0.553106 0.433797} O2 1894 -1 1 {} H 0.0 {0.554666 0.55723 0.442933} H1 1895 -1 8 {} O 0.0 {0.538723 0.532733 0.425463} O3 1896 -1 1 {} H 0.0 {0.544191 0.533572 0.417004} H2 1897 -1 8 {} O 0.0 {0.558464 0.527876 0.438611} O4 1898 -1 1 {} H 0.0 {0.555378 0.519442 0.443255} H3 1899 -1 8 {} O 0.0 {0.52409 0.549143 0.469908} O5 1900 -1 1 {} H 0.0 {0.519346 0.554952 0.463082} H4 1901 -1 8 {} O 0.0 {0.523602 0.524851 0.463478} O6 1902 -1 1 {} H 0.0 {0.547229 0.506235 0.331345} H5 1903 -1 8 {} O 0.0 {0.54325 0.532252 0.475157} O7 1904 -1 1 {} H 0.0 {0.551914 0.536796 0.47309} H6 1905 -1 8 {} O 0.0 {0.319725 0.410612 0.380051} O1 1906 -1 14 {} Si 0.0 {0.328632 0.41367 0.392533} Si1 1907 -1 14 {} Si 0.0 {0.30945 0.403138 0.371209} Si2 1908 -1 8 {} O 0.0 {0.300576 0.413534 0.363762} O2 1909 -1 1 {} H 0.0 {0.296779 0.420089 0.369971} H1 1910 -1 8 {} O 0.0 {0.299328 0.397219 0.381541} O3 1911 -1 1 {} H 0.0 {0.437127 0.673176 0.432002} H2 1912 -1 8 {} O 0.0 {0.317043 0.393289 0.361365} O4 1913 -1 1 {} H 0.0 {0.325488 0.390659 0.364711} H3 1914 -1 8 {} O 0.0 {0.337991 0.425353 0.389697} O5 1915 -1 1 {} H 0.0 {0.294951 0.404703 0.387181} H4 1916 -1 8 {} O 0.0 {0.320156 0.416462 0.405474} O6 1917 -1 1 {} H 0.0 {0.318651 0.425908 0.406266} H5 1918 -1 8 {} O 0.0 {0.337898 0.401126 0.395455} O7 1919 -1 1 {} H 0.0 {0.32389 0.505123 0.359096} H6 1920 -1 8 {} O 0.0 {0.602234 0.567952 0.432063} O1 1921 -1 14 {} Si 0.0 {0.590722 0.57233 0.423028} Si1 1922 -1 14 {} Si 0.0 {0.616555 0.568625 0.43828} Si2 1923 -1 8 {} O 0.0 {0.620358 0.583446 0.438368} O2 1924 -1 1 {} H 0.0 {0.613115 0.588803 0.433423} H1 1925 -1 8 {} O 0.0 {0.625728 0.55833 0.431574} O3 1926 -1 1 {} H 0.0 {0.622112 0.549399 0.432334} H2 1927 -1 8 {} O 0.0 {0.61653 0.563885 0.453176} O4 1928 -1 1 {} H 0.0 {0.607154 0.562336 0.456574} H3 1929 -1 8 {} O 0.0 {0.578605 0.576515 0.431688} O5 1930 -1 1 {} H 0.0 {0.57831 0.585545 0.431595} H4 1931 -1 8 {} O 0.0 {0.594949 0.585637 0.416326} O6 1932 -1 1 {} H 0.0 {0.590524 0.586981 0.407196} H5 1933 -1 8 {} O 0.0 {0.588294 0.561467 0.412485} O7 1934 -1 1 {} H 0.0 {0.667048 0.564531 0.445181} H6 1935 -1 8 {} O 0.0 {0.370345 0.464513 0.314033} O1 1936 -1 14 {} Si 0.0 {0.365973 0.449925 0.313457} Si1 1937 -1 14 {} Si 0.0 {0.378745 0.476916 0.308996} Si2 1938 -1 8 {} O 0.0 {0.385069 0.472215 0.295757} O2 1939 -1 1 {} H 0.0 {0.385697 0.462624 0.296485} H1 1940 -1 8 {} O 0.0 {0.388024 0.481605 0.320592} O3 1941 -1 1 {} H 0.0 {0.383625 0.480019 0.329284} H2 1942 -1 8 {} O 0.0 {0.370002 0.489478 0.307519} O4 1943 -1 1 {} H 0.0 {0.362501 0.488519 0.314022} H3 1944 -1 8 {} O 0.0 {0.368257 0.443404 0.326844} O5 1945 -1 1 {} H 0.0 {0.373425 0.509004 0.338111} H4 1946 -1 8 {} O 0.0 {0.351522 0.447992 0.307964} O6 1947 -1 1 {} H 0.0 {0.347164 0.44066 0.312783} H5 1948 -1 8 {} O 0.0 {0.37574 0.443149 0.302036} O7 1949 -1 1 {} H 0.0 {0.3708 0.434998 0.297789} H6 1950 -1 8 {} O 0.0 {0.335987 0.530585 0.420886} O1 1951 -1 14 {} Si 0.0 {0.341641 0.540556 0.409663} Si1 1952 -1 14 {} Si 0.0 {0.332085 0.518511 0.430893} Si2 1953 -1 8 {} O 0.0 {0.344768 0.517281 0.440939} O2 1954 -1 1 {} H 0.0 {0.349214 0.508299 0.439748} H1 1955 -1 8 {} O 0.0 {0.331102 0.504426 0.423962} O3 1956 -1 1 {} H 0.0 {0.336787 0.503511 0.416403} H2 1957 -1 8 {} O 0.0 {0.319186 0.52063 0.440552} O4 1958 -1 1 {} H 0.0 {0.321665 0.52902 0.446734} H3 1959 -1 8 {} O 0.0 {0.34646 0.531577 0.398388} O5 1960 -1 1 {} H 0.0 {0.371734 0.607418 0.385181} H4 1961 -1 8 {} O 0.0 {0.33031 0.550047 0.40553} O6 1962 -1 1 {} H 0.0 {0.322569 0.560312 0.414337} H5 1963 -1 8 {} O 0.0 {0.351326 0.551213 0.414373} O7 1964 -1 1 {} H 0.0 {0.413114 0.648549 0.323072} H6 1965 -1 8 {} O 0.0 {0.469544 0.622746 0.612859} O1 1966 -1 14 {} Si 0.0 {0.484558 0.623172 0.616792} Si1 1967 -1 14 {} Si 0.0 {0.454045 0.62649 0.611731} Si2 1968 -1 8 {} O 0.0 {0.447191 0.617411 0.622816} O2 1969 -1 1 {} H 0.0 {0.454915 0.613559 0.634952} H1 1970 -1 8 {} O 0.0 {0.450324 0.618772 0.59911} O3 1971 -1 1 {} H 0.0 {0.517599 0.610477 0.528396} H2 1972 -1 8 {} O 0.0 {0.45026 0.641244 0.611642} O4 1973 -1 1 {} H 0.0 {0.438683 0.644123 0.620498} H3 1974 -1 8 {} O 0.0 {0.491077 0.609232 0.611857} O5 1975 -1 1 {} H 0.0 {0.485832 0.605337 0.604418} H4 1976 -1 8 {} O 0.0 {0.491405 0.634166 0.608262} O6 1977 -1 1 {} H 0.0 {0.48896 0.632855 0.598732} H5 1978 -1 8 {} O 0.0 {0.48538 0.624953 0.632341} O7 1979 -1 1 {} H 0.0 {0.477651 0.620028 0.636426} H6 1980 -1 8 {} O 0.0 {0.296404 0.407766 0.444321} O1 1981 -1 14 {} Si 0.0 {0.291334 0.421936 0.448765} Si1 1982 -1 14 {} Si 0.0 {0.301667 0.396626 0.43477} Si2 1983 -1 8 {} O 0.0 {0.291482 0.395047 0.422928} O2 1984 -1 1 {} H 0.0 {0.286571 0.386449 0.423488} H1 1985 -1 8 {} O 0.0 {0.302097 0.382834 0.442698} O3 1986 -1 1 {} H 0.0 {0.267803 0.519726 0.453839} H2 1987 -1 8 {} O 0.0 {0.315509 0.398915 0.428843} O4 1988 -1 1 {} H 0.0 {0.316105 0.404037 0.420657} H3 1989 -1 8 {} O 0.0 {0.301902 0.430572 0.441734} O5 1990 -1 1 {} H 0.0 {0.463569 0.431923 0.518453} H4 1991 -1 8 {} O 0.0 {0.277518 0.426431 0.444485} O6 1992 -1 1 {} H 0.0 {0.340747 0.450717 0.475727} H5 1993 -1 8 {} O 0.0 {0.29287 0.425012 0.463879} O7 1994 -1 1 {} H 0.0 {0.295399 0.434822 0.464928} H6 1995 -1 8 {} O 0.0 {0.344769 0.415726 0.52611} O1 1996 -1 14 {} Si 0.0 {0.337915 0.400706 0.526205} Si1 1997 -1 14 {} Si 0.0 {0.356607 0.424688 0.530516} Si2 1998 -1 8 {} O 0.0 {0.355752 0.425546 0.546328} O2 1999 -1 1 {} H 0.0 {0.34829 0.42 0.549128} H1 2000 -1 8 {} O 0.0 {0.355556 0.438438 0.52232} O3 2001 -1 1 {} H 0.0 {0.363549 0.438895 0.516687} H2 2002 -1 8 {} O 0.0 {0.368782 0.418509 0.52404} O4 2003 -1 1 {} H 0.0 {0.365698 0.411945 0.516415} H3 2004 -1 8 {} O 0.0 {0.336097 0.39805 0.541637} O5 2005 -1 1 {} H 0.0 {0.656661 0.436223 0.547304} H4 2006 -1 8 {} O 0.0 {0.324074 0.399568 0.518536} O6 2007 -1 1 {} H 0.0 {0.322385 0.392155 0.512726} H5 2008 -1 8 {} O 0.0 {0.348882 0.391099 0.519928} O7 2009 -1 1 {} H 0.0 {0.356571 0.395198 0.515845} H6 2010 -1 8 {} O 0.0 {0.456619 0.588885 0.63162} O1 2011 -1 14 {} Si 0.0 {0.44755 0.581747 0.620569} Si1 2012 -1 14 {} Si 0.0 {0.463601 0.595237 0.643681} Si2 2013 -1 8 {} O 0.0 {0.477196 0.588379 0.644563} O2 2014 -1 1 {} H 0.0 {0.477432 0.579489 0.64158} H1 2015 -1 8 {} O 0.0 {0.455214 0.590753 0.655506} O3 2016 -1 1 {} H 0.0 {0.446813 0.59538 0.656932} H2 2017 -1 8 {} O 0.0 {0.462518 0.610984 0.642569} O4 2018 -1 1 {} H 0.0 {0.42519 0.66169 0.612304} H3 2019 -1 8 {} O 0.0 {0.43771 0.570625 0.626} O5 2020 -1 1 {} H 0.0 {0.489209 0.590619 0.670861} H4 2021 -1 8 {} O 0.0 {0.438835 0.593555 0.615846} O6 2022 -1 1 {} H 0.0 {0.377981 0.609133 0.537101} H5 2023 -1 8 {} O 0.0 {0.454468 0.576514 0.607382} O7 2024 -1 1 {} H 0.0 {0.456563 0.58412 0.601908} H6 2025 -1 8 {} O 0.0 {0.546997 0.671449 0.364996} O1 2026 -1 14 {} Si 0.0 {0.534049 0.636173 0.357805} Si1 2027 -1 14 {} Si 0.0 {0.53192 0.665369 0.365733} Si2 2028 -1 8 {} O 0.0 {0.524846 0.671458 0.352873} O2 2029 -1 1 {} H 0.0 {0.524635 0.680871 0.353565} H1 2030 -1 8 {} O 0.0 {0.527551 0.670008 0.380321} O3 2031 -1 1 {} H 0.0 {0.468048 0.647675 0.320226} H2 2032 -1 8 {} O 0.0 {0.536132 0.650489 0.363923} O4 2033 -1 1 {} H 0.0 {0.641526 0.430587 0.47949} H3 2034 -1 8 {} O 0.0 {0.532166 0.625531 0.36926} O5 2035 -1 1 {} H 0.0 {0.362036 0.596294 0.547378} H4 2036 -1 8 {} O 0.0 {0.546957 0.629695 0.351432} O6 2037 -1 1 {} H 0.0 {0.441326 0.71285 0.440275} H5 2038 -1 8 {} O 0.0 {0.475508 0.653463 0.322378} O7 2039 -1 1 {} H 0.0 {0.475684 0.652938 0.33211} H6 2040 -1 8 {} O 0.0 {0.342724 0.551003 0.52066} O1 2041 -1 14 {} Si 0.0 {0.3384 0.537145 0.515772} Si1 2042 -1 14 {} Si 0.0 {0.346011 0.562221 0.530732} Si2 2043 -1 8 {} O 0.0 {0.334515 0.572399 0.532367} O2 2044 -1 1 {} H 0.0 {0.327606 0.57247 0.525131} H1 2045 -1 8 {} O 0.0 {0.359926 0.569021 0.530012} O3 2046 -1 1 {} H 0.0 {0.329327 0.605441 0.460741} H2 2047 -1 8 {} O 0.0 {0.347118 0.553201 0.544049} O4 2048 -1 1 {} H 0.0 {0.340146 0.55523 0.549702} H3 2049 -1 8 {} O 0.0 {0.491385 0.299388 0.516247} O5 2050 -1 1 {} H 0.0 {0.51654 0.265015 0.494192} H4 2051 -1 8 {} O 0.0 {0.323043 0.537602 0.519781} O6 2052 -1 1 {} H 0.0 {0.649858 0.440143 0.664282} H5 2053 -1 8 {} O 0.0 {0.343479 0.525079 0.522946} O7 2054 -1 1 {} H 0.0 {0.432879 0.52667 0.509066} H6 2055 -1 8 {} O 0.0 {0.60171 0.594175 0.669385} O1 2056 -1 14 {} Si 0.0 {0.59629 0.608555 0.666469} Si1 2057 -1 14 {} Si 0.0 {0.604505 0.579056 0.667004} Si2 2058 -1 8 {} O 0.0 {0.592281 0.572431 0.658265} O2 2059 -1 1 {} H 0.0 {0.594535 0.574539 0.649024} H1 2060 -1 8 {} O 0.0 {0.602318 0.571283 0.680504} O3 2061 -1 1 {} H 0.0 {0.518971 0.463239 0.66693} H2 2062 -1 8 {} O 0.0 {0.617502 0.573294 0.660392} O4 2063 -1 1 {} H 0.0 {0.619413 0.578523 0.652591} H3 2064 -1 8 {} O 0.0 {0.597919 0.618784 0.678115} O5 2065 -1 1 {} H 0.0 {0.536324 0.589907 0.697722} H4 2066 -1 8 {} O 0.0 {0.603537 0.614635 0.654151} O6 2067 -1 1 {} H 0.0 {0.5982 0.621748 0.649738} H5 2068 -1 8 {} O 0.0 {0.581588 0.607092 0.663016} O7 2069 -1 1 {} H 0.0 {0.66409 0.441097 0.667703} H6 2070 -1 8 {} O 0.0 {0.37357 0.574582 0.580005} O1 2071 -1 14 {} Si 0.0 {0.389003 0.573172 0.582078} Si1 2072 -1 14 {} Si 0.0 {0.388998 0.574402 0.612901} Si2 2073 -1 8 {} O 0.0 {0.397889 0.585844 0.618256} O2 2074 -1 1 {} H 0.0 {0.402911 0.591146 0.611713} H1 2075 -1 8 {} O 0.0 {0.391409 0.560082 0.619484} O3 2076 -1 1 {} H 0.0 {0.400745 0.556067 0.617618} H2 2077 -1 8 {} O 0.0 {0.374791 0.579566 0.616033} O4 2078 -1 1 {} H 0.0 {0.351 0.568278 0.665581} H3 2079 -1 8 {} O 0.0 {0.980511 0.227089 0.719389} O5 2080 -1 1 {} H 0.0 {0.277248 0.487913 0.507685} H4 2081 -1 8 {} O 0.0 {0.396932 0.585188 0.574596} O6 2082 -1 1 {} H 0.0 {0.406846 0.583957 0.573562} H5 2083 -1 8 {} O 0.0 {0.393465 0.558832 0.57937} O7 2084 -1 1 {} H 0.0 {0.389024 0.550531 0.583258} H6 2085 -1 8 {} O 0.0 {0.269017 0.489475 0.471091} O1 2086 -1 14 {} Si 0.0 {0.273859 0.502495 0.465327} Si1 2087 -1 14 {} Si 0.0 {0.265918 0.475808 0.478256} Si2 2088 -1 8 {} O 0.0 {0.269519 0.462771 0.469955} O2 2089 -1 1 {} H 0.0 {0.268552 0.46529 0.460835} H1 2090 -1 8 {} O 0.0 {0.251344 0.476766 0.484031} O3 2091 -1 1 {} H 0.0 {0.252083 0.482106 0.492634} H2 2092 -1 8 {} O 0.0 {0.275223 0.476352 0.49141} O4 2093 -1 1 {} H 0.0 {0.282634 0.470048 0.49019} H3 2094 -1 8 {} O 0.0 {0.266492 0.509687 0.453568} O5 2095 -1 1 {} H 0.0 {0.296985 0.458581 0.380553} H4 2096 -1 8 {} O 0.0 {0.276692 0.512605 0.476827} O6 2097 -1 1 {} H 0.0 {0.300467 0.570191 0.504262} H5 2098 -1 8 {} O 0.0 {0.287126 0.498656 0.458963} O7 2099 -1 1 {} H 0.0 {0.295052 0.500845 0.464449} H6 2100 -1 8 {} O 0.0 {0.496186 0.420762 0.412921} O1 2101 -1 14 {} Si 0.0 {0.507695 0.421895 0.423267} Si1 2102 -1 14 {} Si 0.0 {0.481016 0.420014 0.409085} Si2 2103 -1 8 {} O 0.0 {0.476421 0.424002 0.395271} O2 2104 -1 1 {} H 0.0 {0.480875 0.431487 0.392377} H1 2105 -1 8 {} O 0.0 {0.471175 0.429004 0.417835} O3 2106 -1 1 {} H 0.0 {0.464082 0.42341 0.42137} H2 2107 -1 8 {} O 0.0 {0.475922 0.405318 0.41296} O4 2108 -1 1 {} H 0.0 {0.483824 0.400455 0.414198} H3 2109 -1 8 {} O 0.0 {0.515413 0.43434 0.417326} O5 2110 -1 1 {} H 0.0 {0.51812 0.433065 0.408225} H4 2111 -1 8 {} O 0.0 {0.502943 0.424166 0.437711} O6 2112 -1 1 {} H 0.0 {0.504527 0.431987 0.441993} H5 2113 -1 8 {} O 0.0 {0.517574 0.410386 0.42026} O7 2114 -1 1 {} H 0.0 {0.513157 0.401834 0.422472} H6 2115 -1 8 {} O 0.0 {0.603405 0.541186 0.600677} O1 2116 -1 14 {} Si 0.0 {0.604491 0.531033 0.588927} Si1 2117 -1 14 {} Si 0.0 {0.604545 0.54378 0.616857} Si2 2118 -1 8 {} O 0.0 {0.617373 0.551049 0.622852} O2 2119 -1 1 {} H 0.0 {0.538774 0.566459 0.609792} H1 2120 -1 8 {} O 0.0 {0.606138 0.528076 0.619561} O3 2121 -1 1 {} H 0.0 {0.59304 0.4442 0.669531} H2 2122 -1 8 {} O 0.0 {0.591584 0.549509 0.621831} O4 2123 -1 1 {} H 0.0 {0.589236 0.558305 0.618069} H3 2124 -1 8 {} O 0.0 {0.596663 0.538521 0.577227} O5 2125 -1 1 {} H 0.0 {0.587286 0.535868 0.576714} H4 2126 -1 8 {} O 0.0 {0.619296 0.530254 0.583875} O6 2127 -1 1 {} H 0.0 {0.625837 0.534871 0.590597} H5 2128 -1 8 {} O 0.0 {0.598902 0.512396 0.593696} O7 2129 -1 1 {} H 0.0 {0.601559 0.505604 0.586279} H6 2130 -1 8 {} O 0.0 {0.561176 0.447616 0.505442} O1 2131 -1 14 {} Si 0.0 {0.566586 0.462453 0.507838} Si1 2132 -1 14 {} Si 0.0 {0.558834 0.434263 0.49857} Si2 2133 -1 8 {} O 0.0 {0.564657 0.419994 0.504195} O2 2134 -1 1 {} H 0.0 {0.567645 0.415728 0.496296} H1 2135 -1 8 {} O 0.0 {0.564737 0.436353 0.484552} O3 2136 -1 1 {} H 0.0 {0.560216 0.443581 0.479959} H2 2137 -1 8 {} O 0.0 {0.543356 0.432775 0.496749} O4 2138 -1 1 {} H 0.0 {0.538711 0.434022 0.506136} H3 2139 -1 8 {} O 0.0 {0.559811 0.473571 0.499307} O5 2140 -1 1 {} H 0.0 {0.559025 0.482187 0.504637} H4 2141 -1 8 {} O 0.0 {0.56776 0.466933 0.522395} O6 2142 -1 1 {} H 0.0 {0.559705 0.46784 0.526902} H5 2143 -1 8 {} O 0.0 {0.581906 0.460485 0.502167} O7 2144 -1 1 {} H 0.0 {0.585475 0.452735 0.506216} H6 2145 -1 8 {} O 0.0 {0.411378 0.596684 0.463511} O1 2146 -1 14 {} Si 0.0 {0.414455 0.5826 0.469984} Si1 2147 -1 14 {} Si 0.0 {0.412301 0.607846 0.452831} Si2 2148 -1 8 {} O 0.0 {0.426581 0.613659 0.451614} O2 2149 -1 1 {} H 0.0 {0.431366 0.611912 0.459611} H1 2150 -1 8 {} O 0.0 {0.40189 0.619242 0.454052} O3 2151 -1 1 {} H 0.0 {0.457402 0.666303 0.40999} H2 2152 -1 8 {} O 0.0 {0.40988 0.600072 0.439035} O4 2153 -1 1 {} H 0.0 {0.402302 0.604138 0.434392} H3 2154 -1 8 {} O 0.0 {0.417618 0.572522 0.458583} O5 2155 -1 1 {} H 0.0 {0.41118 0.573983 0.451237} H4 2156 -1 8 {} O 0.0 {0.425709 0.582873 0.480981} O6 2157 -1 1 {} H 0.0 {0.427473 0.592067 0.483896} H5 2158 -1 8 {} O 0.0 {0.402003 0.578351 0.478457} O7 2159 -1 1 {} H 0.0 {0.40539 0.57542 0.48743} H6 2160 -1 8 {} O 0.0 {0.396069 0.536724 0.308984} O1 2161 -1 14 {} Si 0.0 {0.38305 0.52835 0.314034} Si1 2162 -1 14 {} Si 0.0 {0.405009 0.542087 0.297542} Si2 2163 -1 8 {} O 0.0 {0.371456 0.53521 0.321504} O2 2164 -1 1 {} H 0.0 {0.373442 0.545079 0.320979} H1 2165 -1 8 {} O 0.0 {0.411648 0.554839 0.30382} O3 2166 -1 1 {} H 0.0 {0.416343 0.554315 0.31305} H2 2167 -1 8 {} O 0.0 {0.39545 0.547156 0.285994} O4 2168 -1 1 {} H 0.0 {0.388201 0.552862 0.288969} H3 2169 -1 8 {} O 0.0 {0.266668 0.434775 0.481047} O5 2170 -1 1 {} H 0.0 {0.539648 0.439802 0.315267} H4 2171 -1 8 {} O 0.0 {0.375562 0.521318 0.302495} O6 2172 -1 1 {} H 0.0 {0.374708 0.511547 0.304041} H5 2173 -1 8 {} O 0.0 {0.386835 0.51738 0.324332} O7 2174 -1 1 {} H 0.0 {0.329645 0.522937 0.587699} H6 2175 -1 8 {} O 0.0 {0.528131 0.583364 0.361379} O1 2176 -1 14 {} Si 0.0 {0.516276 0.591772 0.364624} Si1 2177 -1 14 {} Si 0.0 {0.539406 0.572115 0.365145} Si2 2178 -1 8 {} O 0.0 {0.554037 0.575765 0.360931} O2 2179 -1 1 {} H 0.0 {0.558598 0.56805 0.357206} H1 2180 -1 8 {} O 0.0 {0.535913 0.558989 0.35835} O3 2181 -1 1 {} H 0.0 {0.527431 0.559676 0.354371} H2 2182 -1 8 {} O 0.0 {0.543392 0.569411 0.379702} O4 2183 -1 1 {} H 0.0 {0.548812 0.560715 0.379905} H3 2184 -1 8 {} O 0.0 {0.515271 0.602562 0.352857} O5 2185 -1 1 {} H 0.0 {0.519062 0.611002 0.356046} H4 2186 -1 8 {} O 0.0 {0.503073 0.584222 0.368178} O6 2187 -1 1 {} H 0.0 {0.495885 0.589752 0.366696} H5 2188 -1 8 {} O 0.0 {0.520814 0.599452 0.37716} O7 2189 -1 1 {} H 0.0 {0.527101 0.606319 0.374817} H6 2190 -1 8 {} O 0.0 {0.542238 0.324355 0.366901} O1 2191 -1 14 {} Si 0.0 {0.552213 0.331733 0.376998} Si1 2192 -1 14 {} Si 0.0 {0.534566 0.312787 0.360988} Si2 2193 -1 8 {} O 0.0 {0.48492 0.477868 0.58825} O2 2194 -1 1 {} H 0.0 {0.373982 0.579469 0.425503} H1 2195 -1 8 {} O 0.0 {0.543401 0.304356 0.351005} O3 2196 -1 1 {} H 0.0 {0.520052 0.298522 0.425055} H2 2197 -1 8 {} O 0.0 {0.521073 0.316827 0.353959} O4 2198 -1 1 {} H 0.0 {0.515235 0.321605 0.359345} H3 2199 -1 8 {} O 0.0 {0.566709 0.325386 0.375333} O5 2200 -1 1 {} H 0.0 {0.565719 0.316341 0.37769} H4 2201 -1 8 {} O 0.0 {0.552386 0.346797 0.373203} O6 2202 -1 1 {} H 0.0 {0.546921 0.352482 0.37889} H5 2203 -1 8 {} O 0.0 {0.54626 0.330159 0.39079} O7 2204 -1 1 {} H 0.0 {0.679306 0.43148 0.60491} H6 2205 -1 8 {} O 0.0 {0.636864 0.595776 0.483335} O1 2206 -1 14 {} Si 0.0 {0.634674 0.603226 0.470282} Si1 2207 -1 14 {} Si 0.0 {0.636821 0.59532 0.499423} Si2 2208 -1 8 {} O 0.0 {0.624275 0.587169 0.505249} O2 2209 -1 1 {} H 0.0 {0.622532 0.589491 0.514492} H1 2210 -1 8 {} O 0.0 {0.637544 0.609689 0.505374} O3 2211 -1 1 {} H 0.0 {0.410551 0.501086 0.663061} H2 2212 -1 8 {} O 0.0 {0.650516 0.588443 0.502598} O4 2213 -1 1 {} H 0.0 {0.656843 0.588166 0.495786} H3 2214 -1 8 {} O 0.0 {0.536371 0.604529 0.565045} O5 2215 -1 1 {} H 0.0 {0.5496 0.608946 0.58179} H4 2216 -1 8 {} O 0.0 {0.619488 0.604221 0.467901} O6 2217 -1 1 {} H 0.0 {0.450276 0.656076 0.371838} H5 2218 -1 8 {} O 0.0 {0.640977 0.594757 0.458795} O7 2219 -1 1 {} H 0.0 {0.633709 0.592886 0.452061} H6 2220 -1 8 {} O 0.0 {0.537182 0.527677 0.533724} O1 2221 -1 14 {} Si 0.0 {0.551069 0.52819 0.54069} Si1 2222 -1 14 {} Si 0.0 {0.525236 0.526603 0.524423} Si2 2223 -1 8 {} O 0.0 {0.525029 0.512452 0.517739} O2 2224 -1 1 {} H 0.0 {0.520003 0.513113 0.509236} H1 2225 -1 8 {} O 0.0 {0.522209 0.536858 0.512849} O3 2226 -1 1 {} H 0.0 {0.515012 0.534108 0.507411} H2 2227 -1 8 {} O 0.0 {0.512854 0.526991 0.533567} O4 2228 -1 1 {} H 0.0 {0.514915 0.532839 0.540829} H3 2229 -1 8 {} O 0.0 {0.563113 0.530929 0.531716} O5 2230 -1 1 {} H 0.0 {0.572144 0.529438 0.535442} H4 2231 -1 8 {} O 0.0 {0.552631 0.540132 0.550544} O6 2232 -1 1 {} H 0.0 {0.550971 0.548102 0.545397} H5 2233 -1 8 {} O 0.0 {0.555313 0.515295 0.55027} O7 2234 -1 1 {} H 0.0 {0.548713 0.513829 0.556749} H6 2235 -1 8 {} O 0.0 {0.411609 0.388661 0.370796} O1 2236 -1 14 {} Si 0.0 {0.39616 0.389159 0.373116} Si1 2237 -1 14 {} Si 0.0 {0.545837 0.600846 0.683253} Si2 2238 -1 8 {} O 0.0 {0.541356 0.614437 0.68849} O2 2239 -1 1 {} H 0.0 {0.651241 0.585763 0.617884} H1 2240 -1 8 {} O 0.0 {0.557765 0.612643 0.652987} O3 2241 -1 1 {} H 0.0 {0.551224 0.607993 0.646882} H2 2242 -1 8 {} O 0.0 {0.545681 0.593188 0.696837} O4 2243 -1 1 {} H 0.0 {0.379712 0.383065 0.617896} H3 2244 -1 8 {} O 0.0 {0.389677 0.402985 0.370008} O5 2245 -1 1 {} H 0.0 {0.392231 0.409834 0.376459} H4 2246 -1 8 {} O 0.0 {0.534972 0.561006 0.603695} O6 2247 -1 1 {} H 0.0 {0.621818 0.544865 0.628991} H5 2248 -1 8 {} O 0.0 {0.389167 0.378633 0.364396} O7 2249 -1 1 {} H 0.0 {0.357859 0.352839 0.37109} H6 2250 -1 8 {} O 0.0 {0.524643 0.263831 0.450834} O1 2251 -1 14 {} Si 0.0 {0.51422 0.266196 0.462078} Si1 2252 -1 14 {} Si 0.0 {0.538186 0.260333 0.444716} Si2 2253 -1 8 {} O 0.0 {0.537982 0.256815 0.42947} O2 2254 -1 1 {} H 0.0 {0.537569 0.247182 0.428222} H1 2255 -1 8 {} O 0.0 {0.542296 0.24684 0.451749} O3 2256 -1 1 {} H 0.0 {0.481526 0.26308 0.408082} H2 2257 -1 8 {} O 0.0 {0.549258 0.269984 0.448134} O4 2258 -1 1 {} H 0.0 {0.665725 0.435958 0.615599} H3 2259 -1 8 {} O 0.0 {0.499704 0.267791 0.455836} O5 2260 -1 1 {} H 0.0 {0.499643 0.264053 0.447126} H4 2261 -1 8 {} O 0.0 {0.515744 0.255306 0.473038} O6 2262 -1 1 {} H 0.0 {0.540525 0.305662 0.341398} H5 2263 -1 8 {} O 0.0 {0.515931 0.281092 0.467385} O7 2264 -1 1 {} H 0.0 {0.507935 0.285526 0.470076} H6 2265 -1 8 {} O 0.0 {0.54532 0.697318 0.529533} O1 2266 -1 14 {} Si 0.0 {0.468316 0.602066 0.57839} Si1 2267 -1 14 {} Si 0.0 {0.556902 0.688055 0.534346} Si2 2268 -1 8 {} O 0.0 {0.557328 0.684888 0.550048} O2 2269 -1 1 {} H 0.0 {0.560523 0.675744 0.551534} H1 2270 -1 8 {} O 0.0 {0.570922 0.692284 0.530073} O3 2271 -1 1 {} H 0.0 {0.574172 0.688367 0.521832} H2 2272 -1 8 {} O 0.0 {0.554679 0.674001 0.528699} O4 2273 -1 1 {} H 0.0 {0.547229 0.674097 0.521742} H3 2274 -1 8 {} O 0.0 {0.467133 0.617341 0.579223} O5 2275 -1 1 {} H 0.0 {0.459724 0.620132 0.587555} H4 2276 -1 8 {} O 0.0 {0.457397 0.596263 0.588402} O6 2277 -1 1 {} H 0.0 {0.453069 0.605283 0.59379} H5 2278 -1 8 {} O 0.0 {0.478467 0.600312 0.587857} O7 2279 -1 1 {} H 0.0 {0.513265 0.693634 0.548349} H6 2280 -1 8 {} O 0.0 {0.361579 0.661335 0.570053} O1 2281 -1 14 {} Si 0.0 {0.368113 0.674027 0.563335} Si1 2282 -1 14 {} Si 0.0 {0.482629 0.721895 0.486721} Si2 2283 -1 8 {} O 0.0 {0.488637 0.736913 0.484913} O2 2284 -1 1 {} H 0.0 {0.550377 0.649012 0.611156} H1 2285 -1 8 {} O 0.0 {0.480398 0.716039 0.47241} O3 2286 -1 1 {} H 0.0 {0.516189 0.343122 0.526615} H2 2287 -1 8 {} O 0.0 {0.470193 0.723391 0.495295} O4 2288 -1 1 {} H 0.0 {0.470223 0.716602 0.502653} H3 2289 -1 8 {} O 0.0 {0.35573 0.679482 0.555346} O5 2290 -1 1 {} H 0.0 {0.65394 0.46978 0.603049} H4 2291 -1 8 {} O 0.0 {0.374248 0.686431 0.571919} O6 2292 -1 1 {} H 0.0 {0.414673 0.602178 0.540652} H5 2293 -1 8 {} O 0.0 {0.450392 0.373929 0.448145} O7 2294 -1 1 {} H 0.0 {0.451257 0.37574 0.439218} H6 2295 -1 8 {} O 0.0 {0.51969 0.696599 0.480798} O1 2296 -1 14 {} Si 0.0 {0.522764 0.692964 0.495432} Si1 2297 -1 14 {} Si 0.0 {0.514277 0.695491 0.466709} Si2 2298 -1 8 {} O 0.0 {0.553671 0.65858 0.611819} O2 2299 -1 1 {} H 0.0 {0.546281 0.663425 0.609664} H1 2300 -1 8 {} O 0.0 {0.526579 0.691608 0.457393} O3 2301 -1 1 {} H 0.0 {0.493727 0.739434 0.492336} H2 2302 -1 8 {} O 0.0 {0.505978 0.706773 0.45939} O4 2303 -1 1 {} H 0.0 {0.499287 0.702649 0.453321} H3 2304 -1 8 {} O 0.0 {0.537964 0.696195 0.498245} O5 2305 -1 1 {} H 0.0 {0.538693 0.697504 0.507582} H4 2306 -1 8 {} O 0.0 {0.513216 0.701143 0.504264} O6 2307 -1 1 {} H 0.0 {0.48603 0.658298 0.466946} H5 2308 -1 8 {} O 0.0 {0.521189 0.677557 0.499254} O7 2309 -1 1 {} H 0.0 {0.467788 0.714322 0.456886} H6 2310 -1 8 {} O 0.0 {0.441982 0.519976 0.5518} O1 2311 -1 14 {} Si 0.0 {0.438996 0.519605 0.53657} Si1 2312 -1 14 {} Si 0.0 {0.452322 0.522731 0.563867} Si2 2313 -1 8 {} O 0.0 {0.458528 0.510514 0.570805} O2 2314 -1 1 {} H 0.0 {0.453505 0.507704 0.579219} H1 2315 -1 8 {} O 0.0 {0.444074 0.531948 0.57313} O3 2316 -1 1 {} H 0.0 {0.440119 0.539088 0.5679} H2 2317 -1 8 {} O 0.0 {0.464256 0.530673 0.557694} O4 2318 -1 1 {} H 0.0 {0.471955 0.524469 0.55866} H3 2319 -1 8 {} O 0.0 {0.42573 0.511585 0.534612} O5 2320 -1 1 {} H 0.0 {0.42004 0.513592 0.542125} H4 2321 -1 8 {} O 0.0 {0.436349 0.533616 0.530108} O6 2322 -1 1 {} H 0.0 {0.444492 0.538786 0.529571} H5 2323 -1 8 {} O 0.0 {0.451171 0.512956 0.528608} O7 2324 -1 1 {} H 0.0 {0.454517 0.505011 0.533628} H6 2325 -1 8 {} O 0.0 {0.308387 0.46118 0.530271} O1 2326 -1 14 {} Si 0.0 {0.290324 0.454824 0.528407} Si1 2327 -1 14 {} Si 0.0 {0.32223 0.459002 0.523457} Si2 2328 -1 8 {} O 0.0 {0.458682 0.595124 0.51275} O2 2329 -1 1 {} H 0.0 {0.459441 0.586222 0.508157} H1 2330 -1 8 {} O 0.0 {0.329347 0.4477 0.532252} O3 2331 -1 1 {} H 0.0 {0.335845 0.442788 0.526416} H2 2332 -1 8 {} O 0.0 {0.329762 0.472732 0.520201} O4 2333 -1 1 {} H 0.0 {0.287787 0.46981 0.549668} H3 2334 -1 8 {} O 0.0 {0.277975 0.464744 0.529321} O5 2335 -1 1 {} H 0.0 {0.278687 0.471939 0.523254} H4 2336 -1 8 {} O 0.0 {0.293241 0.453211 0.513113} O6 2337 -1 1 {} H 0.0 {0.378799 0.412294 0.43594} H5 2338 -1 8 {} O 0.0 {0.288482 0.439241 0.532564} O7 2339 -1 1 {} H 0.0 {0.291081 0.433251 0.525665} H6 2340 -1 8 {} O 0.0 {0.614211 0.438619 0.540036} O1 2341 -1 14 {} Si 0.0 {0.627832 0.441142 0.531742} Si1 2342 -1 14 {} Si 0.0 {0.60458 0.439784 0.55174} Si2 2343 -1 8 {} O 0.0 {0.604455 0.454398 0.557568} O2 2344 -1 1 {} H 0.0 {0.602883 0.46103 0.550559} H1 2345 -1 8 {} O 0.0 {0.605468 0.429759 0.563465} O3 2346 -1 1 {} H 0.0 {0.694908 0.37937 0.502376} H2 2347 -1 8 {} O 0.0 {0.590117 0.43685 0.548002} O4 2348 -1 1 {} H 0.0 {0.584013 0.435075 0.555212} H3 2349 -1 8 {} O 0.0 {0.630465 0.45457 0.539088} O5 2350 -1 1 {} H 0.0 {0.635635 0.453944 0.54777} H4 2351 -1 8 {} O 0.0 {0.638527 0.431148 0.536229} O6 2352 -1 1 {} H 0.0 {0.634987 0.425131 0.543468} H5 2353 -1 8 {} O 0.0 {0.623073 0.441529 0.516416} O7 2354 -1 1 {} H 0.0 {0.612948 0.441963 0.515952} H6 2355 -1 8 {} O 0.0 {0.598248 0.444844 0.273689} O1 2356 -1 14 {} Si 0.0 {0.603737 0.459197 0.276345} Si1 2357 -1 14 {} Si 0.0 {0.274534 0.429618 0.399607} Si2 2358 -1 8 {} O 0.0 {0.277413 0.422935 0.413088} O2 2359 -1 1 {} H 0.0 {0.276599 0.425217 0.434711} H1 2360 -1 8 {} O 0.0 {0.286699 0.428149 0.389542} O3 2361 -1 1 {} H 0.0 {0.40742 0.550449 0.464771} H2 2362 -1 8 {} O 0.0 {0.262473 0.421215 0.393877} O4 2363 -1 1 {} H 0.0 {0.25562 0.427214 0.391197} H3 2364 -1 8 {} O 0.0 {0.614489 0.458749 0.28676} O5 2365 -1 1 {} H 0.0 {0.50416 0.512198 0.409976} H4 2366 -1 8 {} O 0.0 {0.609865 0.466432 0.264228} O6 2367 -1 1 {} H 0.0 {0.609984 0.476402 0.264797} H5 2368 -1 8 {} O 0.0 {0.589969 0.465603 0.280481} O7 2369 -1 1 {} H 0.0 {0.556938 0.490855 0.349339} H6 2370 -1 8 {} O 0.0 {0.626594 0.430147 0.341531} O1 2371 -1 14 {} Si 0.0 {0.617502 0.421124 0.332619} Si1 2372 -1 14 {} Si 0.0 {0.333214 0.396422 0.556987} Si2 2373 -1 8 {} O 0.0 {0.350476 0.382911 0.565172} O2 2374 -1 1 {} H 0.0 {0.350635 0.375218 0.55817} H1 2375 -1 8 {} O 0.0 {0.317858 0.397737 0.559026} O3 2376 -1 1 {} H 0.0 {0.312723 0.405553 0.555389} H2 2377 -1 8 {} O 0.0 {0.337326 0.408563 0.562326} O4 2378 -1 1 {} H 0.0 {0.343649 0.430711 0.598083} H3 2379 -1 8 {} O 0.0 {0.627176 0.412871 0.323375} O5 2380 -1 1 {} H 0.0 {0.636337 0.415841 0.324315} H4 2381 -1 8 {} O 0.0 {0.608843 0.412146 0.34203} O6 2382 -1 1 {} H 0.0 {0.600792 0.416942 0.345196} H5 2383 -1 8 {} O 0.0 {0.417299 0.360691 0.457153} O7 2384 -1 1 {} H 0.0 {0.415581 0.362509 0.448024} H6 2385 -1 8 {} O 0.0 {0.662397 0.513126 0.379116} O1 2386 -1 14 {} Si 0.0 {0.671736 0.501112 0.376956} Si1 2387 -1 14 {} Si 0.0 {0.654147 0.523289 0.387658} Si2 2388 -1 8 {} O 0.0 {0.642237 0.515519 0.392841} O2 2389 -1 1 {} H 0.0 {0.6385 0.509243 0.386454} H1 2390 -1 8 {} O 0.0 {0.648692 0.534129 0.378279} O3 2391 -1 1 {} H 0.0 {0.64873 0.531191 0.369023} H2 2392 -1 8 {} O 0.0 {0.662664 0.529039 0.399066} O4 2393 -1 1 {} H 0.0 {0.662681 0.521879 0.406169} H3 2394 -1 8 {} O 0.0 {0.683423 0.501348 0.387322} O5 2395 -1 1 {} H 0.0 {0.681858 0.494244 0.393708} H4 2396 -1 8 {} O 0.0 {0.663752 0.487665 0.379241} O6 2397 -1 1 {} H 0.0 {0.654792 0.488713 0.375217} H5 2398 -1 8 {} O 0.0 {0.676697 0.501228 0.362583} O7 2399 -1 1 {} H 0.0 {0.686576 0.503227 0.362881} H6 2400 -1 8 {} O 0.0 {0.34116 0.342502 0.499394} O1 2401 -1 14 {} Si 0.0 {0.335018 0.328479 0.501546} Si1 2402 -1 14 {} Si 0.0 {0.351404 0.353854 0.501541} Si2 2403 -1 8 {} O 0.0 {0.362075 0.353665 0.48958} O2 2404 -1 1 {} H 0.0 {0.658198 0.411633 0.596074} H1 2405 -1 8 {} O 0.0 {0.618781 0.459563 0.461036} O3 2406 -1 1 {} H 0.0 {0.648859 0.372163 0.456676} H2 2407 -1 8 {} O 0.0 {0.344441 0.367491 0.500452} O4 2408 -1 1 {} H 0.0 {0.348457 0.374119 0.505882} H3 2409 -1 8 {} O 0.0 {0.319508 0.330701 0.497604} O5 2410 -1 1 {} H 0.0 {0.319621 0.335159 0.488808} H4 2411 -1 8 {} O 0.0 {0.342795 0.3199 0.490742} O6 2412 -1 1 {} H 0.0 {0.35173 0.31826 0.493488} H5 2413 -1 8 {} O 0.0 {0.336613 0.324737 0.51646} O7 2414 -1 1 {} H 0.0 {0.623397 0.465138 0.467674} H6 2415 -1 8 {} O 0.0 {0.472471 0.523218 0.275579} O1 2416 -1 14 {} Si 0.0 {0.500735 0.546199 0.264664} Si1 2417 -1 14 {} Si 0.0 {0.484047 0.530063 0.28379} Si2 2418 -1 8 {} O 0.0 {0.49375 0.518152 0.285336} O2 2419 -1 1 {} H 0.0 {0.508596 0.335345 0.536567} H1 2420 -1 8 {} O 0.0 {0.479727 0.532727 0.299179} O3 2421 -1 1 {} H 0.0 {0.4882 0.532882 0.304305} H2 2422 -1 8 {} O 0.0 {0.504787 0.556485 0.303537} O4 2423 -1 1 {} H 0.0 {0.500167 0.564595 0.300598} H3 2424 -1 8 {} O 0.0 {0.504316 0.535452 0.254148} O5 2425 -1 1 {} H 0.0 {0.500715 0.526731 0.257188} H4 2426 -1 8 {} O 0.0 {0.512472 0.555396 0.269001} O6 2427 -1 1 {} H 0.0 {0.511108 0.564227 0.264992} H5 2428 -1 8 {} O 0.0 {0.492993 0.54082 0.277329} O7 2429 -1 1 {} H 0.0 {0.459184 0.538862 0.289511} H6 2430 -1 8 {} O 0.0 {0.506038 0.388968 0.537192} O1 2431 -1 14 {} Si 0.0 {0.500813 0.400401 0.528188} Si1 2432 -1 14 {} Si 0.0 {0.504125 0.375272 0.54444} Si2 2433 -1 8 {} O 0.0 {0.500358 0.364019 0.533971} O2 2434 -1 1 {} H 0.0 {0.506938 0.356591 0.535628} H1 2435 -1 8 {} O 0.0 {0.492363 0.37628 0.554447} O3 2436 -1 1 {} H 0.0 {0.486965 0.367993 0.553239} H2 2437 -1 8 {} O 0.0 {0.516483 0.370137 0.552809} O4 2438 -1 1 {} H 0.0 {0.523192 0.366366 0.54682} H3 2439 -1 8 {} O 0.0 {0.499675 0.414014 0.535645} O5 2440 -1 1 {} H 0.0 {0.495995 0.411216 0.54439} H4 2441 -1 8 {} O 0.0 {0.509289 0.400857 0.515016} O6 2442 -1 1 {} H 0.0 {0.543235 0.392462 0.481352} H5 2443 -1 8 {} O 0.0 {0.486565 0.396351 0.524474} O7 2444 -1 1 {} H 0.0 {0.481565 0.404045 0.522096} H6 2445 -1 8 {} O 0.0 {0.303334 0.544778 0.572624} O1 2446 -1 14 {} Si 0.0 {0.307566 0.55688 0.5633} Si1 2447 -1 14 {} Si 0.0 {0.301171 0.536472 0.585202} Si2 2448 -1 8 {} O 0.0 {0.31463 0.534116 0.593051} O2 2449 -1 1 {} H 0.0 {0.318677 0.542877 0.595724} H1 2450 -1 8 {} O 0.0 {0.295933 0.522395 0.580945} O3 2451 -1 1 {} H 0.0 {0.291664 0.523738 0.572005} H2 2452 -1 8 {} O 0.0 {0.290716 0.541776 0.595356} O4 2453 -1 1 {} H 0.0 {0.290498 0.536179 0.603164} H3 2454 -1 8 {} O 0.0 {0.311473 0.569944 0.571069} O5 2455 -1 1 {} H 0.0 {0.401083 0.665498 0.474274} H4 2456 -1 8 {} O 0.0 {0.320384 0.552695 0.555692} O6 2457 -1 1 {} H 0.0 {0.31286 0.593165 0.404149} H5 2458 -1 8 {} O 0.0 {0.295755 0.559455 0.553886} O7 2459 -1 1 {} H 0.0 {0.290125 0.551556 0.551261} H6 2460 -1 8 {} O 0.0 {0.450254 0.57631 0.557547} O1 2461 -1 14 {} Si 0.0 {0.460798 0.584433 0.549022} Si1 2462 -1 14 {} Si 0.0 {0.439651 0.570504 0.567365} Si2 2463 -1 8 {} O 0.0 {0.428728 0.581744 0.569615} O2 2464 -1 1 {} H 0.0 {0.429118 0.587485 0.561994} H1 2465 -1 8 {} O 0.0 {0.446685 0.569202 0.581732} O3 2466 -1 1 {} H 0.0 {0.448361 0.578514 0.585586} H2 2467 -1 8 {} O 0.0 {0.433153 0.556565 0.562986} O4 2468 -1 1 {} H 0.0 {0.423677 0.557876 0.5605} H3 2469 -1 8 {} O 0.0 {0.469189 0.574789 0.538169} O5 2470 -1 1 {} H 0.0 {0.36169 0.5963 0.495982} H4 2471 -1 8 {} O 0.0 {0.453977 0.597306 0.541959} O6 2472 -1 1 {} H 0.0 {0.452287 0.596257 0.532487} H5 2473 -1 8 {} O 0.0 {0.471919 0.589186 0.559839} O7 2474 -1 1 {} H 0.0 {0.480399 0.593769 0.556232} H6 2475 -1 8 {} O 0.0 {0.696863 0.57347 0.493812} O1 2476 -1 14 {} Si 0.0 {0.6969 0.559829 0.485193} Si1 2477 -1 14 {} Si 0.0 {0.702755 0.548616 0.512044} Si2 2478 -1 8 {} O 0.0 {0.646445 0.360046 0.553694} O2 2479 -1 1 {} H 0.0 {0.297267 0.49671 0.42334} H1 2480 -1 8 {} O 0.0 {0.710018 0.562002 0.476278} O3 2481 -1 1 {} H 0.0 {0.71588 0.553916 0.477522} H2 2482 -1 8 {} O 0.0 {0.700163 0.548536 0.496327} O4 2483 -1 1 {} H 0.0 {0.677212 0.491464 0.582552} H3 2484 -1 8 {} O 0.0 {0.595304 0.641702 0.398326} O5 2485 -1 1 {} H 0.0 {0.464896 0.612019 0.336846} H4 2486 -1 8 {} O 0.0 {0.436056 0.687517 0.514083} O6 2487 -1 1 {} H 0.0 {0.442935 0.680394 0.518015} H5 2488 -1 8 {} O 0.0 {0.651071 0.591517 0.625459} O7 2489 -1 1 {} H 0.0 {0.348951 0.57331 0.343102} H6 2490 -1 8 {} O 0.0 {0.61279 0.551955 0.369654} O1 2491 -1 14 {} Si 0.0 {0.615797 0.559036 0.355656} Si1 2492 -1 14 {} Si 0.0 {0.604792 0.543736 0.379805} Si2 2493 -1 8 {} O 0.0 {0.592057 0.552069 0.383897} O2 2494 -1 1 {} H 0.0 {0.592995 0.558433 0.390794} H1 2495 -1 8 {} O 0.0 {0.612461 0.54453 0.39358} O3 2496 -1 1 {} H 0.0 {0.584784 0.505285 0.399755} H2 2497 -1 8 {} O 0.0 {0.601248 0.529022 0.374705} O4 2498 -1 1 {} H 0.0 {0.630964 0.482847 0.335781} H3 2499 -1 8 {} O 0.0 {0.624365 0.549551 0.347513} O5 2500 -1 1 {} H 0.0 {0.619428 0.545697 0.340064} H4 2501 -1 8 {} O 0.0 {0.602201 0.559297 0.347286} O6 2502 -1 1 {} H 0.0 {0.354874 0.678422 0.485277} H5 2503 -1 8 {} O 0.0 {0.623799 0.572406 0.357727} O7 2504 -1 1 {} H 0.0 {0.632137 0.571722 0.362769} H6 2505 -1 8 {} O 0.0 {0.616059 0.406179 0.631577} O1 2506 -1 14 {} Si 0.0 {0.602438 0.412652 0.635622} Si1 2507 -1 14 {} Si 0.0 {0.624389 0.394043 0.62614} Si2 2508 -1 8 {} O 0.0 {0.616367 0.389324 0.61394} O2 2509 -1 1 {} H 0.0 {0.475649 0.49737 0.640023} H1 2510 -1 8 {} O 0.0 {0.627644 0.383707 0.637034} O3 2511 -1 1 {} H 0.0 {0.678055 0.43525 0.58735} H2 2512 -1 8 {} O 0.0 {0.638933 0.398766 0.620067} O4 2513 -1 1 {} H 0.0 {0.639702 0.395068 0.611112} H3 2514 -1 8 {} O 0.0 {0.589435 0.404153 0.633928} O5 2515 -1 1 {} H 0.0 {0.586227 0.40595 0.625146} H4 2516 -1 8 {} O 0.0 {0.604143 0.417605 0.650295} O6 2517 -1 1 {} H 0.0 {0.610087 0.42572 0.651031} H5 2518 -1 8 {} O 0.0 {0.598012 0.425616 0.628892} O7 2519 -1 1 {} H 0.0 {0.603849 0.426652 0.621139} H6 2520 -1 8 {} O 0.0 {0.414259 0.361138 0.628933} O1 2521 -1 14 {} Si 0.0 {0.424265 0.357774 0.617615} Si1 2522 -1 14 {} Si 0.0 {0.407073 0.370195 0.638975} Si2 2523 -1 8 {} O 0.0 {0.395789 0.377815 0.632141} O2 2524 -1 1 {} H 0.0 {0.396134 0.387046 0.635321} H1 2525 -1 8 {} O 0.0 {0.416709 0.382093 0.642597} O3 2526 -1 1 {} H 0.0 {0.51708 0.283228 0.575014} H2 2527 -1 8 {} O 0.0 {0.405159 0.36243 0.651981} O4 2528 -1 1 {} H 0.0 {0.375586 0.393569 0.674206} H3 2529 -1 8 {} O 0.0 {0.427309 0.342131 0.617337} O5 2530 -1 1 {} H 0.0 {0.434982 0.340882 0.611173} H4 2531 -1 8 {} O 0.0 {0.418436 0.362822 0.604152} O6 2532 -1 1 {} H 0.0 {0.413384 0.357049 0.598949} H5 2533 -1 8 {} O 0.0 {0.438429 0.364953 0.617896} O7 2534 -1 1 {} H 0.0 {0.398571 0.411376 0.647253} H6 2535 -1 8 {} O 0.0 {0.627453 0.330165 0.425279} O1 2536 -1 14 {} Si 0.0 {0.613825 0.337851 0.422059} Si1 2537 -1 14 {} Si 0.0 {0.641951 0.330596 0.430631} Si2 2538 -1 8 {} O 0.0 {0.647029 0.316238 0.430154} O2 2539 -1 1 {} H 0.0 {0.651652 0.343592 0.444595} H1 2540 -1 8 {} O 0.0 {0.645606 0.335894 0.445309} O3 2541 -1 1 {} H 0.0 {0.678991 0.615482 0.447047} H2 2542 -1 8 {} O 0.0 {0.648084 0.340415 0.419511} O4 2543 -1 1 {} H 0.0 {0.267112 0.443597 0.477469} H3 2544 -1 8 {} O 0.0 {0.616289 0.353165 0.420534} O5 2545 -1 1 {} H 0.0 {0.631325 0.609138 0.619259} H4 2546 -1 8 {} O 0.0 {0.605323 0.336193 0.43578} O6 2547 -1 1 {} H 0.0 {0.645112 0.390995 0.386472} H5 2548 -1 8 {} O 0.0 {0.299165 0.413785 0.547893} O7 2549 -1 1 {} H 0.0 {0.402161 0.479416 0.703528} H6 2550 -1 8 {} O 0.0 {0.406517 0.475668 0.537507} O1 2551 -1 14 {} Si 0.0 {0.421008 0.472821 0.533664} Si1 2552 -1 14 {} Si 0.0 {0.390662 0.473551 0.540091} Si2 2553 -1 8 {} O 0.0 {0.384379 0.459342 0.536388} O2 2554 -1 1 {} H 0.0 {0.378661 0.455696 0.543272} H1 2555 -1 8 {} O 0.0 {0.384087 0.485768 0.53387} O3 2556 -1 1 {} H 0.0 {0.374148 0.487688 0.536836} H2 2557 -1 8 {} O 0.0 {0.388062 0.477081 0.555211} O4 2558 -1 1 {} H 0.0 {0.39213 0.485325 0.558196} H3 2559 -1 8 {} O 0.0 {0.424301 0.457045 0.533889} O5 2560 -1 1 {} H 0.0 {0.418193 0.45254 0.539674} H4 2561 -1 8 {} O 0.0 {0.420285 0.477872 0.518934} O6 2562 -1 1 {} H 0.0 {0.411506 0.482728 0.51691} H5 2563 -1 8 {} O 0.0 {0.429396 0.482586 0.542669} O7 2564 -1 1 {} H 0.0 {0.430418 0.491128 0.538144} H6 2565 -1 8 {} O 0.0 {0.599793 0.634243 0.502185} O1 2566 -1 14 {} Si 0.0 {0.474746 0.548862 0.672635} Si1 2567 -1 14 {} Si 0.0 {0.608643 0.644736 0.503985} Si2 2568 -1 8 {} O 0.0 {0.601695 0.65309 0.515677} O2 2569 -1 1 {} H 0.0 {0.596099 0.647925 0.522036} H1 2570 -1 8 {} O 0.0 {0.610424 0.507515 0.294535} O3 2571 -1 1 {} H 0.0 {0.572491 0.48659 0.301795} H2 2572 -1 8 {} O 0.0 {0.620481 0.672645 0.495108} O4 2573 -1 1 {} H 0.0 {0.617848 0.669505 0.503773} H3 2574 -1 8 {} O 0.0 {0.484759 0.560672 0.671636} O5 2575 -1 1 {} H 0.0 {0.479878 0.569647 0.670973} H4 2576 -1 8 {} O 0.0 {0.474816 0.54433 0.659484} O6 2577 -1 1 {} H 0.0 {0.41351 0.414877 0.624807} H5 2578 -1 8 {} O 0.0 {0.460462 0.554955 0.673697} O7 2579 -1 1 {} H 0.0 {0.449493 0.543059 0.300352} H6 2580 -1 8 {} O 0.0 {0.376851 0.439352 0.585286} O1 2581 -1 14 {} Si 0.0 {0.381672 0.435603 0.600215} Si1 2582 -1 14 {} Si 0.0 {0.369355 0.449244 0.575668} Si2 2583 -1 8 {} O 0.0 {0.470529 0.656074 0.618062} O2 2584 -1 1 {} H 0.0 {0.478592 0.650156 0.619249} H1 2585 -1 8 {} O 0.0 {0.375631 0.464272 0.578267} O3 2586 -1 1 {} H 0.0 {0.456913 0.416519 0.523144} H2 2587 -1 8 {} O 0.0 {0.37121 0.445194 0.560526} O4 2588 -1 1 {} H 0.0 {0.366352 0.43708 0.55787} H3 2589 -1 8 {} O 0.0 {0.372541 0.44134 0.611672} O5 2590 -1 1 {} H 0.0 {0.363389 0.439082 0.610179} H4 2591 -1 8 {} O 0.0 {0.38424 0.420189 0.60004} O6 2592 -1 1 {} H 0.0 {0.429456 0.484063 0.720377} H5 2593 -1 8 {} O 0.0 {0.39666 0.440357 0.601578} O7 2594 -1 1 {} H 0.0 {0.397609 0.444522 0.610361} H6 2595 -1 8 {} O 0.0 {0.557317 0.537347 0.293987} O1 2596 -1 14 {} Si 0.0 {0.547264 0.525964 0.297457} Si1 2597 -1 14 {} Si 0.0 {0.564828 0.550901 0.295049} Si2 2598 -1 8 {} O 0.0 {0.576602 0.547679 0.305353} O2 2599 -1 1 {} H 0.0 {0.595528 0.440368 0.282288} H1 2600 -1 8 {} O 0.0 {0.557967 0.563353 0.301667} O3 2601 -1 1 {} H 0.0 {0.549632 0.564259 0.297044} H2 2602 -1 8 {} O 0.0 {0.572117 0.552553 0.280982} O4 2603 -1 1 {} H 0.0 {0.575636 0.544491 0.278232} H3 2604 -1 8 {} O 0.0 {0.532576 0.527239 0.289956} O5 2605 -1 1 {} H 0.0 {0.529412 0.536736 0.289478} H4 2606 -1 8 {} O 0.0 {0.553028 0.511834 0.296418} O6 2607 -1 1 {} H 0.0 {0.541833 0.501527 0.299951} H5 2608 -1 8 {} O 0.0 {0.542805 0.526755 0.31206} O7 2609 -1 1 {} H 0.0 {0.535516 0.519197 0.316001} H6 2610 -1 8 {} O 0.0 {0.555543 0.490044 0.633512} O1 2611 -1 14 {} Si 0.0 {0.549268 0.499496 0.644288} Si1 2612 -1 14 {} Si 0.0 {0.558032 0.483877 0.619849} Si2 2613 -1 8 {} O 0.0 {0.548771 0.471431 0.617563} O2 2614 -1 1 {} H 0.0 {0.549622 0.468296 0.608228} H1 2615 -1 8 {} O 0.0 {0.57205 0.479941 0.616125} O3 2616 -1 1 {} H 0.0 {0.577979 0.480387 0.624106} H2 2617 -1 8 {} O 0.0 {0.553764 0.494644 0.609263} O4 2618 -1 1 {} H 0.0 {0.554671 0.503954 0.61336} H3 2619 -1 8 {} O 0.0 {0.560863 0.505317 0.652755} O5 2620 -1 1 {} H 0.0 {0.56493 0.497385 0.656974} H4 2621 -1 8 {} O 0.0 {0.546895 0.512353 0.635568} O6 2622 -1 1 {} H 0.0 {0.554938 0.51757 0.635538} H5 2623 -1 8 {} O 0.0 {0.535883 0.497098 0.651682} O7 2624 -1 1 {} H 0.0 {0.533281 0.505201 0.656791} H6 2625 -1 8 {} O 0.0 {0.677478 0.453599 0.414127} O1 2626 -1 14 {} Si 0.0 {0.672159 0.464663 0.404653} Si1 2627 -1 14 {} Si 0.0 {0.689209 0.445416 0.420939} Si2 2628 -1 8 {} O 0.0 {0.684498 0.430623 0.424018} O2 2629 -1 1 {} H 0.0 {0.616971 0.465385 0.453786} H1 2630 -1 8 {} O 0.0 {0.691627 0.452075 0.435362} O3 2631 -1 1 {} H 0.0 {0.687669 0.460868 0.435455} H2 2632 -1 8 {} O 0.0 {0.702216 0.444901 0.413517} O4 2633 -1 1 {} H 0.0 {0.705044 0.435432 0.411769} H3 2634 -1 8 {} O 0.0 {0.680407 0.478427 0.407082} O5 2635 -1 1 {} H 0.0 {0.689941 0.476668 0.407301} H4 2636 -1 8 {} O 0.0 {0.674055 0.462426 0.389103} O6 2637 -1 1 {} H 0.0 {0.669541 0.469354 0.383976} H5 2638 -1 8 {} O 0.0 {0.657644 0.468376 0.409229} O7 2639 -1 1 {} H 0.0 {0.454284 0.340875 0.51384} H6 2640 -1 8 {} O 0.0 {0.537649 0.427333 0.551645} O1 2641 -1 14 {} Si 0.0 {0.541 0.422321 0.537294} Si1 2642 -1 14 {} Si 0.0 {0.530652 0.427912 0.565353} Si2 2643 -1 8 {} O 0.0 {0.51853 0.418843 0.566597} O2 2644 -1 1 {} H 0.0 {0.520291 0.412454 0.574165} H1 2645 -1 8 {} O 0.0 {0.523971 0.441929 0.566864} O3 2646 -1 1 {} H 0.0 {0.522016 0.445451 0.558178} H2 2647 -1 8 {} O 0.0 {0.540572 0.424715 0.577603} O4 2648 -1 1 {} H 0.0 {0.547155 0.418322 0.574559} H3 2649 -1 8 {} O 0.0 {0.556057 0.421327 0.5334} O5 2650 -1 1 {} H 0.0 {0.557289 0.420195 0.523987} H4 2651 -1 8 {} O 0.0 {0.534148 0.409054 0.533405} O6 2652 -1 1 {} H 0.0 {0.526324 0.410646 0.52784} H5 2653 -1 8 {} O 0.0 {0.535188 0.432749 0.526325} O7 2654 -1 1 {} H 0.0 {0.53429 0.441268 0.530283} H6 2655 -1 8 {} O 0.0 {0.483706 0.630358 0.486578} O1 2656 -1 14 {} Si 0.0 {0.488613 0.638271 0.474056} Si1 2657 -1 14 {} Si 0.0 {0.447785 0.615406 0.481683} Si2 2658 -1 8 {} O 0.0 {0.448142 0.605644 0.469398} O2 2659 -1 1 {} H 0.0 {0.456703 0.602074 0.468834} H1 2660 -1 8 {} O 0.0 {0.43942 0.627675 0.477366} O3 2661 -1 1 {} H 0.0 {0.576963 0.629677 0.530104} H2 2662 -1 8 {} O 0.0 {0.439438 0.606739 0.491774} O4 2663 -1 1 {} H 0.0 {0.444491 0.605522 0.500905} H3 2664 -1 8 {} O 0.0 {0.486114 0.630584 0.460882} O5 2665 -1 1 {} H 0.0 {0.480565 0.635702 0.45549} H4 2666 -1 8 {} O 0.0 {0.481198 0.65244 0.472629} O6 2667 -1 1 {} H 0.0 {0.489443 0.614791 0.508175} H5 2668 -1 8 {} O 0.0 {0.504326 0.638868 0.473804} O7 2669 -1 1 {} H 0.0 {0.458418 0.665627 0.509555} H6 2670 -1 8 {} O 0.0 {0.655669 0.592885 0.557205} O1 2671 -1 14 {} Si 0.0 {0.658488 0.601046 0.544027} Si1 2672 -1 14 {} Si 0.0 {0.657225 0.590546 0.572541} Si2 2673 -1 8 {} O 0.0 {0.642712 0.588374 0.578328} O2 2674 -1 1 {} H 0.0 {0.638915 0.581268 0.573064} H1 2675 -1 8 {} O 0.0 {0.662123 0.603621 0.578662} O3 2676 -1 1 {} H 0.0 {0.658034 0.611894 0.575433} H2 2677 -1 8 {} O 0.0 {0.466847 0.517022 0.341651} O4 2678 -1 1 {} H 0.0 {0.461239 0.521918 0.336283} H3 2679 -1 8 {} O 0.0 {0.657588 0.61636 0.545624} O5 2680 -1 1 {} H 0.0 {0.656337 0.620793 0.536753} H4 2681 -1 8 {} O 0.0 {0.67252 0.599236 0.536982} O6 2682 -1 1 {} H 0.0 {0.677734 0.591627 0.54035} H5 2683 -1 8 {} O 0.0 {0.647829 0.596469 0.533902} O7 2684 -1 1 {} H 0.0 {0.649204 0.599934 0.524838} H6 2685 -1 8 {} O 0.0 {0.425147 0.670465 0.606772} O1 2686 -1 14 {} Si 0.0 {0.433882 0.669639 0.593973} Si1 2687 -1 14 {} Si 0.0 {0.52252 0.500139 0.26462} Si2 2688 -1 8 {} O 0.0 {0.528957 0.4914 0.274986} O2 2689 -1 1 {} H 0.0 {0.367904 0.449585 0.334406} H1 2690 -1 8 {} O 0.0 {0.531336 0.512842 0.265348} O3 2691 -1 1 {} H 0.0 {0.530998 0.516875 0.27414} H2 2692 -1 8 {} O 0.0 {0.522255 0.493697 0.249945} O4 2693 -1 1 {} H 0.0 {0.46242 0.520126 0.251023} H3 2694 -1 8 {} O 0.0 {0.446715 0.660325 0.595248} O5 2695 -1 1 {} H 0.0 {0.433838 0.620814 0.63159} H4 2696 -1 8 {} O 0.0 {0.425078 0.660455 0.58555} O6 2697 -1 1 {} H 0.0 {0.639567 0.458556 0.680601} H5 2698 -1 8 {} O 0.0 {0.437233 0.683236 0.587347} O7 2699 -1 1 {} H 0.0 {0.446853 0.6863 0.588688} H6 2700 -1 8 {} O 0.0 {0.528583 0.41229 0.646451} O1 2701 -1 14 {} Si 0.0 {0.520817 0.421315 0.656635} Si1 2702 -1 14 {} Si 0.0 {0.533566 0.40949 0.631955} Si2 2703 -1 8 {} O 0.0 {0.549507 0.413161 0.630726} O2 2704 -1 1 {} H 0.0 {0.55261 0.406148 0.624298} H1 2705 -1 8 {} O 0.0 {0.526787 0.416337 0.619281} O3 2706 -1 1 {} H 0.0 {0.528892 0.411351 0.611266} H2 2707 -1 8 {} O 0.0 {0.533001 0.394695 0.629127} O4 2708 -1 1 {} H 0.0 {0.403148 0.339911 0.426413} H3 2709 -1 8 {} O 0.0 {0.511474 0.411391 0.663299} O5 2710 -1 1 {} H 0.0 {0.505645 0.4077 0.656981} H4 2711 -1 8 {} O 0.0 {0.526932 0.431598 0.666347} O6 2712 -1 1 {} H 0.0 {0.522273 0.439713 0.667077} H5 2713 -1 8 {} O 0.0 {0.510168 0.430236 0.648199} O7 2714 -1 1 {} H 0.0 {0.50452 0.423721 0.644545} H6 2715 -1 8 {} O 0.0 {0.444833 0.651385 0.480519} O1 2716 -1 14 {} Si 0.0 {0.433606 0.641669 0.477274} Si1 2717 -1 14 {} Si 0.0 {0.450104 0.663575 0.489275} Si2 2718 -1 8 {} O 0.0 {0.438593 0.67207 0.495706} O2 2719 -1 1 {} H 0.0 {0.498327 0.644339 0.417142} H1 2720 -1 8 {} O 0.0 {0.458986 0.672 0.480106} O3 2721 -1 1 {} H 0.0 {0.465911 0.666768 0.476287} H2 2722 -1 8 {} O 0.0 {0.457774 0.658212 0.501328} O4 2723 -1 1 {} H 0.0 {0.663143 0.578883 0.424074} H3 2724 -1 8 {} O 0.0 {0.423322 0.643144 0.488628} O5 2725 -1 1 {} H 0.0 {0.373007 0.679554 0.509296} H4 2726 -1 8 {} O 0.0 {0.674346 0.607523 0.416234} O6 2727 -1 1 {} H 0.0 {0.684637 0.601489 0.415501} H5 2728 -1 8 {} O 0.0 {0.533206 0.410128 0.481584} O7 2729 -1 1 {} H 0.0 {0.536106 0.416399 0.488095} H6 2730 -1 8 {} O 0.0 {0.593144 0.631877 0.442159} O1 2731 -1 14 {} Si 0.0 {0.591142 0.646531 0.447779} Si1 2732 -1 14 {} Si 0.0 {0.587419 0.620517 0.432524} Si2 2733 -1 8 {} O 0.0 {0.581219 0.607389 0.438331} O2 2734 -1 1 {} H 0.0 {0.585665 0.605098 0.446953} H1 2735 -1 8 {} O 0.0 {0.600176 0.613725 0.425623} O3 2736 -1 1 {} H 0.0 {0.598839 0.604375 0.42336} H2 2737 -1 8 {} O 0.0 {0.57792 0.624956 0.420318} O4 2738 -1 1 {} H 0.0 {0.568568 0.625551 0.423443} H3 2739 -1 8 {} O 0.0 {0.59066 0.646726 0.46342} O5 2740 -1 1 {} H 0.0 {0.582015 0.650284 0.466172} H4 2741 -1 8 {} O 0.0 {0.603405 0.654842 0.444132} O6 2742 -1 1 {} H 0.0 {0.610834 0.64959 0.439877} H5 2743 -1 8 {} O 0.0 {0.577113 0.651953 0.443239} O7 2744 -1 1 {} H 0.0 {0.543167 0.654345 0.504943} H6 2745 -1 8 {} O 0.0 {0.488732 0.476245 0.419846} O1 2746 -1 14 {} Si 0.0 {0.494913 0.487465 0.428702} Si1 2747 -1 14 {} Si 0.0 {0.476866 0.467132 0.414964} Si2 2748 -1 8 {} O 0.0 {0.471925 0.45688 0.425106} O2 2749 -1 1 {} H 0.0 {0.47487 0.448118 0.42258} H1 2750 -1 8 {} O 0.0 {0.482724 0.458456 0.403007} O3 2751 -1 1 {} H 0.0 {0.480497 0.460987 0.39431} H2 2752 -1 8 {} O 0.0 {0.464161 0.474809 0.410735} O4 2753 -1 1 {} H 0.0 {0.456725 0.470784 0.414474} H3 2754 -1 8 {} O 0.0 {0.487151 0.488832 0.441934} O5 2755 -1 1 {} H 0.0 {0.487733 0.48048 0.447244} H4 2756 -1 8 {} O 0.0 {0.510599 0.486675 0.432839} O6 2757 -1 1 {} H 0.0 {0.515402 0.482324 0.425387} H5 2758 -1 8 {} O 0.0 {0.491559 0.499962 0.420295} O7 2759 -1 1 {} H 0.0 {0.482211 0.502561 0.422944} H6 2760 -1 8 {} O 0.0 {0.696707 0.595944 0.50456} O1 2761 -1 14 {} Si 0.0 {0.690402 0.60938 0.501467} Si1 2762 -1 14 {} Si 0.0 {0.7046 0.582803 0.503255} Si2 2763 -1 8 {} O 0.0 {0.412436 0.359472 0.550335} O2 2764 -1 1 {} H 0.0 {0.417163 0.350908 0.548503} H1 2765 -1 8 {} O 0.0 {0.7048 0.575672 0.517117} O3 2766 -1 1 {} H 0.0 {0.590153 0.459451 0.461758} H2 2767 -1 8 {} O 0.0 {0.71876 0.584133 0.497095} O4 2768 -1 1 {} H 0.0 {0.718644 0.58015 0.488018} H3 2769 -1 8 {} O 0.0 {0.680087 0.613217 0.512625} O5 2770 -1 1 {} H 0.0 {0.679499 0.489714 0.567681} H4 2771 -1 8 {} O 0.0 {0.702351 0.619236 0.503347} O6 2772 -1 1 {} H 0.0 {0.710079 0.614956 0.500251} H5 2773 -1 8 {} O 0.0 {0.684024 0.608752 0.48736} O7 2774 -1 1 {} H 0.0 {0.677366 0.615035 0.485607} H6 2775 -1 8 {} O 0.0 {0.468654 0.340298 0.326402} O1 2776 -1 14 {} Si 0.0 {0.463768 0.346824 0.313242} Si1 2777 -1 14 {} Si 0.0 {0.478711 0.336398 0.337463} Si2 2778 -1 8 {} O 0.0 {0.469857 0.327193 0.347281} O2 2779 -1 1 {} H 0.0 {0.465936 0.333059 0.35379} H1 2780 -1 8 {} O 0.0 {0.481367 0.348244 0.347259} O3 2781 -1 1 {} H 0.0 {0.480209 0.356736 0.342388} H2 2782 -1 8 {} O 0.0 {0.491725 0.329588 0.331371} O4 2783 -1 1 {} H 0.0 {0.492802 0.321757 0.337203} H3 2784 -1 8 {} O 0.0 {0.450064 0.35352 0.316468} O5 2785 -1 1 {} H 0.0 {0.449689 0.362043 0.311628} H4 2786 -1 8 {} O 0.0 {0.472763 0.358945 0.309738} O6 2787 -1 1 {} H 0.0 {0.479523 0.355916 0.30317} H5 2788 -1 8 {} O 0.0 {0.463432 0.337297 0.301318} O7 2789 -1 1 {} H 0.0 {0.454325 0.334086 0.299934} H6 2790 -1 8 {} O 0.0 {0.649321 0.531937 0.470182} O1 2791 -1 14 {} Si 0.0 {0.659425 0.521805 0.464504} Si1 2792 -1 14 {} Si 0.0 {0.63561 0.536505 0.476408} Si2 2793 -1 8 {} O 0.0 {0.622676 0.52888 0.470935} O2 2794 -1 1 {} H 0.0 {0.673666 0.540516 0.410801} H1 2795 -1 8 {} O 0.0 {0.633981 0.551506 0.473415} O3 2796 -1 1 {} H 0.0 {0.674985 0.51973 0.430012} H2 2797 -1 8 {} O 0.0 {0.636624 0.535357 0.492452} O4 2798 -1 1 {} H 0.0 {0.467861 0.38438 0.631594} H3 2799 -1 8 {} O 0.0 {0.658384 0.508154 0.471698} O5 2800 -1 1 {} H 0.0 {0.661955 0.501228 0.465819} H4 2801 -1 8 {} O 0.0 {0.677413 0.360541 0.525578} O6 2802 -1 1 {} H 0.0 {0.410644 0.348741 0.505349} H5 2803 -1 8 {} O 0.0 {0.673616 0.527513 0.467726} O7 2804 -1 1 {} H 0.0 {0.673397 0.537121 0.467249} H6 2805 -1 8 {} O 0.0 {0.591494 0.501294 0.538912} O1 2806 -1 14 {} Si 0.0 {0.588355 0.48749 0.545035} Si1 2807 -1 14 {} Si 0.0 {0.601028 0.513633 0.536234} Si2 2808 -1 8 {} O 0.0 {0.613852 0.514969 0.545667} O2 2809 -1 1 {} H 0.0 {0.611235 0.509629 0.553907} H1 2810 -1 8 {} O 0.0 {0.592502 0.526236 0.539061} O3 2811 -1 1 {} H 0.0 {0.598405 0.533105 0.543391} H2 2812 -1 8 {} O 0.0 {0.605912 0.514497 0.521479} O4 2813 -1 1 {} H 0.0 {0.615258 0.512883 0.521391} H3 2814 -1 8 {} O 0.0 {0.572635 0.487921 0.546922} O5 2815 -1 1 {} H 0.0 {0.569784 0.497377 0.545279} H4 2816 -1 8 {} O 0.0 {0.59233 0.474347 0.53739} O6 2817 -1 1 {} H 0.0 {0.585796 0.47224 0.531374} H5 2818 -1 8 {} O 0.0 {0.593888 0.487525 0.559465} O7 2819 -1 1 {} H 0.0 {0.586691 0.487135 0.566088} H6 2820 -1 8 {} O 0.0 {0.417113 0.513386 0.276824} O1 2821 -1 14 {} Si 0.0 {0.406553 0.511592 0.265365} Si1 2822 -1 14 {} Si 0.0 {0.422595 0.51806 0.29056} Si2 2823 -1 8 {} O 0.0 {0.437391 0.520935 0.289609} O2 2824 -1 1 {} H 0.0 {0.440171 0.530834 0.289678} H1 2825 -1 8 {} O 0.0 {0.42199 0.507132 0.301357} O3 2826 -1 1 {} H 0.0 {0.420592 0.511177 0.310097} H2 2827 -1 8 {} O 0.0 {0.416355 0.532246 0.29346} O4 2828 -1 1 {} H 0.0 {0.52664 0.500434 0.244016} H3 2829 -1 8 {} O 0.0 {0.391855 0.509021 0.270494} O5 2830 -1 1 {} H 0.0 {0.388268 0.499865 0.267843} H4 2831 -1 8 {} O 0.0 {0.404181 0.524867 0.257287} O6 2832 -1 1 {} H 0.0 {0.394487 0.52769 0.258391} H5 2833 -1 8 {} O 0.0 {0.411719 0.500771 0.254566} O7 2834 -1 1 {} H 0.0 {0.416054 0.505668 0.247621} H6 2835 -1 8 {} O 0.0 {0.514621 0.455051 0.276867} O1 2836 -1 14 {} Si 0.0 {0.513724 0.449381 0.262727} Si1 2837 -1 14 {} Si 0.0 {0.514578 0.456755 0.292389} Si2 2838 -1 8 {} O 0.0 {0.527928 0.459544 0.299424} O2 2839 -1 1 {} H 0.0 {0.494993 0.465516 0.292882} H1 2840 -1 8 {} O 0.0 {0.511041 0.442674 0.298345} O3 2841 -1 1 {} H 0.0 {0.47568 0.519532 0.338435} H2 2842 -1 8 {} O 0.0 {0.502799 0.464878 0.298411} O4 2843 -1 1 {} H 0.0 {0.502855 0.482269 0.330593} H3 2844 -1 8 {} O 0.0 {0.504863 0.435982 0.262954} O5 2845 -1 1 {} H 0.0 {0.508169 0.428826 0.269235} H4 2846 -1 8 {} O 0.0 {0.527374 0.447956 0.255755} O6 2847 -1 1 {} H 0.0 {0.532384 0.457005 0.255581} H5 2848 -1 8 {} O 0.0 {0.505528 0.460732 0.255162} O7 2849 -1 1 {} H 0.0 {0.575703 0.447544 0.269695} H6 2850 -1 8 {} O 0.0 {0.391453 0.332515 0.484807} O1 2851 -1 14 {} Si 0.0 {0.384776 0.319087 0.490185} Si1 2852 -1 14 {} Si 0.0 {0.399199 0.345806 0.48744} Si2 2853 -1 8 {} O 0.0 {0.401043 0.349696 0.502964} O2 2854 -1 1 {} H 0.0 {0.480141 0.486732 0.33804} H1 2855 -1 8 {} O 0.0 {0.390346 0.357692 0.482252} O3 2856 -1 1 {} H 0.0 {0.380888 0.354461 0.48142} H2 2857 -1 8 {} O 0.0 {0.411461 0.345322 0.477176} O4 2858 -1 1 {} H 0.0 {0.409602 0.35128 0.469547} H3 2859 -1 8 {} O 0.0 {0.39318 0.308135 0.497748} O5 2860 -1 1 {} H 0.0 {0.358274 0.347691 0.482565} H4 2861 -1 8 {} O 0.0 {0.372186 0.321329 0.498903} O6 2862 -1 1 {} H 0.0 {0.375042 0.320318 0.508517} H5 2863 -1 8 {} O 0.0 {0.381336 0.30921 0.478605} O7 2864 -1 1 {} H 0.0 {0.38807 0.309822 0.471624} H6 2865 -1 8 {} O 0.0 {0.662557 0.389399 0.569938} O1 2866 -1 14 {} Si 0.0 {0.654568 0.396746 0.581423} Si1 2867 -1 14 {} Si 0.0 {0.671317 0.388779 0.556883} Si2 2868 -1 8 {} O 0.0 {0.686281 0.393564 0.558411} O2 2869 -1 1 {} H 0.0 {0.690458 0.395009 0.549742} H1 2870 -1 8 {} O 0.0 {0.664745 0.396134 0.54412} O3 2871 -1 1 {} H 0.0 {0.672203 0.400455 0.539045} H2 2872 -1 8 {} O 0.0 {0.669463 0.374793 0.551388} O4 2873 -1 1 {} H 0.0 {0.433784 0.404108 0.631873} H3 2874 -1 8 {} O 0.0 {0.647553 0.386359 0.590898} O5 2875 -1 1 {} H 0.0 {0.494928 0.529039 0.558342} H4 2876 -1 8 {} O 0.0 {0.663912 0.406335 0.589732} O6 2877 -1 1 {} H 0.0 {0.373114 0.322757 0.533775} H5 2878 -1 8 {} O 0.0 {0.382273 0.484651 0.268178} O7 2879 -1 1 {} H 0.0 {0.390014 0.480003 0.264693} H6 2880 -1 8 {} O 0.0 {0.413533 0.565936 0.418195} O1 2881 -1 14 {} Si 0.0 {0.402609 0.558758 0.425742} Si1 2882 -1 14 {} Si 0.0 {0.422936 0.570037 0.406324} Si2 2883 -1 8 {} O 0.0 {0.437669 0.570237 0.411678} O2 2884 -1 1 {} H 0.0 {0.437839 0.563921 0.418988} H1 2885 -1 8 {} O 0.0 {0.417363 0.583863 0.402004} O3 2886 -1 1 {} H 0.0 {0.422097 0.591719 0.405429} H2 2887 -1 8 {} O 0.0 {0.422791 0.559512 0.39492} O4 2888 -1 1 {} H 0.0 {0.431523 0.557816 0.39166} H3 2889 -1 8 {} O 0.0 {0.398854 0.565932 0.438667} O5 2890 -1 1 {} H 0.0 {0.320216 0.615982 0.414414} H4 2891 -1 8 {} O 0.0 {0.390942 0.557108 0.41613} O6 2892 -1 1 {} H 0.0 {0.391917 0.548207 0.411842} H5 2893 -1 8 {} O 0.0 {0.406587 0.544755 0.429958} O7 2894 -1 1 {} H 0.0 {0.414014 0.544318 0.434844} H6 2895 -1 8 {} O 0.0 {0.611506 0.449859 0.309829} O1 2896 -1 14 {} Si 0.0 {0.62136 0.458165 0.301298} Si1 2897 -1 14 {} Si 0.0 {0.363739 0.383334 0.574045} Si2 2898 -1 8 {} O 0.0 {0.366207 0.395689 0.584288} O2 2899 -1 1 {} H 0.0 {0.369577 0.392621 0.593538} H1 2900 -1 8 {} O 0.0 {0.587305 0.443556 0.312923} O3 2901 -1 1 {} H 0.0 {0.413204 0.363256 0.658054} H2 2902 -1 8 {} O 0.0 {0.495097 0.521479 0.563891} O4 2903 -1 1 {} H 0.0 {0.400126 0.396929 0.535662} H3 2904 -1 8 {} O 0.0 {0.621245 0.472976 0.305958} O5 2905 -1 1 {} H 0.0 {0.619721 0.474587 0.31533} H4 2906 -1 8 {} O 0.0 {0.636589 0.453927 0.301176} O6 2907 -1 1 {} H 0.0 {0.287407 0.470843 0.366675} H5 2908 -1 8 {} O 0.0 {0.285249 0.469702 0.375888} O7 2909 -1 1 {} H 0.0 {0.568676 0.460963 0.334192} H6 2910 -1 8 {} O 0.0 {0.358603 0.485603 0.356576} O1 2911 -1 14 {} Si 0.0 {0.34415 0.479701 0.361258} Si1 2912 -1 14 {} Si 0.0 {0.372027 0.493662 0.354069} Si2 2913 -1 8 {} O 0.0 {0.367161 0.505434 0.345077} O2 2914 -1 1 {} H 0.0 {0.314852 0.413979 0.345713} H1 2915 -1 8 {} O 0.0 {0.380845 0.48452 0.345999} O3 2916 -1 1 {} H 0.0 {0.376605 0.469426 0.349308} H2 2917 -1 8 {} O 0.0 {0.376685 0.49805 0.367785} O4 2918 -1 1 {} H 0.0 {0.459552 0.277408 0.518131} H3 2919 -1 8 {} O 0.0 {0.340154 0.465342 0.35454} O5 2920 -1 1 {} H 0.0 {0.393582 0.484642 0.35049} H4 2921 -1 8 {} O 0.0 {0.343427 0.48027 0.376494} O6 2922 -1 1 {} H 0.0 {0.324455 0.471598 0.387131} H5 2923 -1 8 {} O 0.0 {0.333148 0.489753 0.355188} O7 2924 -1 1 {} H 0.0 {0.328616 0.484873 0.347406} H6 2925 -1 8 {} O 0.0 {0.476278 0.704289 0.538507} O1 2926 -1 14 {} Si 0.0 {0.469242 0.705328 0.552165} Si1 2927 -1 14 {} Si 0.0 {0.482227 0.698569 0.525654} Si2 2928 -1 8 {} O 0.0 {0.492977 0.706703 0.518931} O2 2929 -1 1 {} H 0.0 {0.364609 0.571841 0.410275} H1 2930 -1 8 {} O 0.0 {0.470668 0.696601 0.516016} O3 2931 -1 1 {} H 0.0 {0.465399 0.688641 0.518991} H2 2932 -1 8 {} O 0.0 {0.488001 0.684509 0.530044} O4 2933 -1 1 {} H 0.0 {0.480835 0.709009 0.569061} H3 2934 -1 8 {} O 0.0 {0.454714 0.711096 0.549864} O5 2935 -1 1 {} H 0.0 {0.43714 0.685221 0.568608} H4 2936 -1 8 {} O 0.0 {0.476341 0.714046 0.562483} O6 2937 -1 1 {} H 0.0 {0.675238 0.613856 0.424905} H5 2938 -1 8 {} O 0.0 {0.370489 0.579092 0.410041} O7 2939 -1 1 {} H 0.0 {0.619835 0.482815 0.484491} H6 2940 -1 8 {} O 0.0 {0.578239 0.444814 0.428846} O1 2941 -1 14 {} Si 0.0 {0.59032 0.436824 0.423144} Si1 2942 -1 14 {} Si 0.0 {0.570669 0.456253 0.435219} Si2 2943 -1 8 {} O 0.0 {0.557449 0.450471 0.441655} O2 2944 -1 1 {} H 0.0 {0.558075 0.440853 0.440955} H1 2945 -1 8 {} O 0.0 {0.565912 0.464689 0.423535} O3 2946 -1 1 {} H 0.0 {0.557542 0.461871 0.420196} H2 2947 -1 8 {} O 0.0 {0.579921 0.465249 0.444261} O4 2948 -1 1 {} H 0.0 {0.586805 0.4702 0.439382} H3 2949 -1 8 {} O 0.0 {0.588259 0.421822 0.425868} O5 2950 -1 1 {} H 0.0 {0.583035 0.418116 0.418851} H4 2951 -1 8 {} O 0.0 {0.591326 0.436908 0.407887} O6 2952 -1 1 {} H 0.0 {0.594642 0.428431 0.404364} H5 2953 -1 8 {} O 0.0 {0.603887 0.440957 0.429928} O7 2954 -1 1 {} H 0.0 {0.606839 0.433627 0.434784} H6 2955 -1 8 {} O 0.0 {0.486676 0.487371 0.548835} O1 2956 -1 14 {} Si 0.0 {0.47295 0.480254 0.546665} Si1 2957 -1 14 {} Si 0.0 {0.502496 0.491442 0.545082} Si2 2958 -1 8 {} O 0.0 {0.503823 0.499 0.531185} O2 2959 -1 1 {} H 0.0 {0.510507 0.506153 0.531512} H1 2960 -1 8 {} O 0.0 {0.508762 0.476946 0.543287} O3 2961 -1 1 {} H 0.0 {0.453938 0.468396 0.558534} H2 2962 -1 8 {} O 0.0 {0.510499 0.499317 0.55594} O4 2963 -1 1 {} H 0.0 {0.505385 0.507049 0.559937} H3 2964 -1 8 {} O 0.0 {0.469446 0.48447 0.561857} O5 2965 -1 1 {} H 0.0 {0.466396 0.493773 0.562613} H4 2966 -1 8 {} O 0.0 {0.466383 0.491564 0.537335} O6 2967 -1 1 {} H 0.0 {0.470455 0.491359 0.528366} H5 2968 -1 8 {} O 0.0 {0.454684 0.467943 0.548865} O7 2969 -1 1 {} H 0.0 {0.447419 0.473745 0.545439} H6 2970 -1 8 {} O 0.0 {0.614762 0.56934 0.547097} O1 2971 -1 14 {} Si 0.0 {0.621039 0.556972 0.554259} Si1 2972 -1 14 {} Si 0.0 {0.610285 0.584321 0.545686} Si2 2973 -1 8 {} O 0.0 {0.614371 0.592921 0.558244} O2 2974 -1 1 {} H 0.0 {0.610422 0.601428 0.557296} H1 2975 -1 8 {} O 0.0 {0.595298 0.582433 0.542199} O3 2976 -1 1 {} H 0.0 {0.594238 0.574464 0.535969} H2 2977 -1 8 {} O 0.0 {0.619129 0.590309 0.534092} O4 2978 -1 1 {} H 0.0 {0.628489 0.591221 0.537204} H3 2979 -1 8 {} O 0.0 {0.634256 0.551728 0.54653} O5 2980 -1 1 {} H 0.0 {0.641012 0.549323 0.552783} H4 2981 -1 8 {} O 0.0 {0.62559 0.559466 0.569974} O6 2982 -1 1 {} H 0.0 {0.618927 0.563748 0.575385} H5 2983 -1 8 {} O 0.0 {0.60989 0.545878 0.553419} O7 2984 -1 1 {} H 0.0 {0.606825 0.543138 0.562225} H6 2985 -1 8 {} O 0.0 {0.558186 0.551799 0.649425} O1 2986 -1 14 {} Si 0.0 {0.556245 0.55273 0.664525} Si1 2987 -1 14 {} Si 0.0 {0.553932 0.54933 0.63462} Si2 2988 -1 8 {} O 0.0 {0.539551 0.543236 0.632726} O2 2989 -1 1 {} H 0.0 {0.513769 0.496041 0.602655} H1 2990 -1 8 {} O 0.0 {0.563021 0.538456 0.627166} O3 2991 -1 1 {} H 0.0 {0.571793 0.542277 0.625815} H2 2992 -1 8 {} O 0.0 {0.555583 0.562385 0.626371} O4 2993 -1 1 {} H 0.0 {0.556031 0.569795 0.63254} H3 2994 -1 8 {} O 0.0 {0.541258 0.554816 0.669571} O5 2995 -1 1 {} H 0.0 {0.536198 0.547042 0.668389} H4 2996 -1 8 {} O 0.0 {0.558574 0.538403 0.669917} O6 2997 -1 1 {} H 0.0 {0.566952 0.535426 0.66619} H5 2998 -1 8 {} O 0.0 {0.564771 0.563912 0.670476} O7 2999 -1 1 {} H 0.0 {0.572949 0.564559 0.66586} H6 3000 -1 8 {} O 0.0 {0.377438 0.66195 0.598913} O1 3001 -1 14 {} Si 0.0 {0.369836 0.648757 0.603853} Si1 3002 -1 14 {} Si 0.0 {0.388915 0.672087 0.599263} Si2 3003 -1 8 {} O 0.0 {0.397996 0.671166 0.586878} O2 3004 -1 1 {} H 0.0 {0.407004 0.668001 0.589229} H1 3005 -1 8 {} O 0.0 {0.398666 0.669627 0.611307} O3 3006 -1 1 {} H 0.0 {0.394083 0.64768 0.545927} H2 3007 -1 8 {} O 0.0 {0.381685 0.686579 0.599746} O4 3008 -1 1 {} H 0.0 {0.376432 0.688014 0.591569} H3 3009 -1 8 {} O 0.0 {0.357451 0.652034 0.613154} O5 3010 -1 1 {} H 0.0 {0.354396 0.64491 0.618322} H4 3011 -1 8 {} O 0.0 {0.365767 0.641541 0.590851} O6 3012 -1 1 {} H 0.0 {0.362765 0.647878 0.584744} H5 3013 -1 8 {} O 0.0 {0.37956 0.638042 0.60959} O7 3014 -1 1 {} H 0.0 {0.384429 0.634064 0.602126} H6 3015 -1 8 {} O 0.0 {0.422753 0.38227 0.665375} O1 3016 -1 14 {} Si 0.0 {0.427913 0.387749 0.651537} Si1 3017 -1 14 {} Si 0.0 {0.413292 0.396793 0.675429} Si2 3018 -1 8 {} O 0.0 {0.301013 0.503337 0.417763} O2 3019 -1 1 {} H 0.0 {0.309573 0.504439 0.421321} H1 3020 -1 8 {} O 0.0 {0.419871 0.402417 0.662045} O3 3021 -1 1 {} H 0.0 {0.64934 0.350984 0.551496} H2 3022 -1 8 {} O 0.0 {0.420145 0.409585 0.681738} O4 3023 -1 1 {} H 0.0 {0.547969 0.372178 0.637082} H3 3024 -1 8 {} O 0.0 {0.442364 0.371606 0.648174} O5 3025 -1 1 {} H 0.0 {0.451145 0.37626 0.646373} H4 3026 -1 8 {} O 0.0 {0.460756 0.521917 0.702485} O6 3027 -1 1 {} H 0.0 {0.452844 0.526522 0.698565} H5 3028 -1 8 {} O 0.0 {0.633979 0.885687 0.946447} O7 3029 -1 1 {} H 0.0 {0.440419 0.36776 0.638981} H6 3030 -1 8 {} O 0.0 {0.48313 0.501981 0.270635} O1 3031 -1 14 {} Si 0.0 {0.496506 0.503632 0.278812} Si1 3032 -1 14 {} Si 0.0 {0.469551 0.509571 0.267823} Si2 3033 -1 8 {} O 0.0 {0.45615 0.504007 0.273247} O2 3034 -1 1 {} H 0.0 {0.452642 0.510528 0.279537} H1 3035 -1 8 {} O 0.0 {0.722938 0.536992 0.47811} O3 3036 -1 1 {} H 0.0 {0.71941 0.537173 0.487275} H2 3037 -1 8 {} O 0.0 {0.469072 0.513632 0.252412} O4 3038 -1 1 {} H 0.0 {0.354569 0.521203 0.346647} H3 3039 -1 8 {} O 0.0 {0.49771 0.49293 0.289823} O5 3040 -1 1 {} H 0.0 {0.489707 0.487042 0.289743} H4 3041 -1 8 {} O 0.0 {0.467455 0.686669 0.58784} O6 3042 -1 1 {} H 0.0 {0.465478 0.687131 0.578725} H5 3043 -1 8 {} O 0.0 {0.508267 0.503537 0.269112} O7 3044 -1 1 {} H 0.0 {0.52719 0.492515 0.28443} H6 3045 -1 8 {} O 0.0 {0.369185 0.671306 0.439199} O1 3046 -1 14 {} Si 0.0 {0.379919 0.674249 0.44964} Si1 3047 -1 14 {} Si 0.0 {0.35748 0.671848 0.429387} Si2 3048 -1 8 {} O 0.0 {0.349618 0.685308 0.432366} O2 3049 -1 1 {} H 0.0 {0.35237 0.688983 0.440588} H1 3050 -1 8 {} O 0.0 {0.347873 0.65983 0.432711} O3 3051 -1 1 {} H 0.0 {0.367139 0.651436 0.502114} H2 3052 -1 8 {} O 0.0 {0.362767 0.672327 0.414711} O4 3053 -1 1 {} H 0.0 {0.360656 0.663681 0.410778} H3 3054 -1 8 {} O 0.0 {0.385706 0.662733 0.457898} O5 3055 -1 1 {} H 0.0 {0.383295 0.684737 0.573407} H4 3056 -1 8 {} O 0.0 {0.393192 0.676671 0.441895} O6 3057 -1 1 {} H 0.0 {0.392867 0.671824 0.433695} H5 3058 -1 8 {} O 0.0 {0.378154 0.686175 0.459352} O7 3059 -1 1 {} H 0.0 {0.384351 0.686596 0.466479} H6 3060 -1 8 {} O 0.0 {0.562551 0.28993 0.438371} O1 3061 -1 14 {} Si 0.0 {0.568322 0.301234 0.430044} Si1 3062 -1 14 {} Si 0.0 {0.563261 0.276613 0.447238} Si2 3063 -1 8 {} O 0.0 {0.561546 0.409926 0.459131} O2 3064 -1 1 {} H 0.0 {0.543279 0.470597 0.333117} H1 3065 -1 8 {} O 0.0 {0.573553 0.268056 0.439807} O3 3066 -1 1 {} H 0.0 {0.523866 0.409852 0.482271} H2 3067 -1 8 {} O 0.0 {0.568551 0.281735 0.461194} O4 3068 -1 1 {} H 0.0 {0.538214 0.414803 0.462636} H3 3069 -1 8 {} O 0.0 {0.559006 0.302539 0.417421} O5 3070 -1 1 {} H 0.0 {0.552801 0.29534 0.416846} H4 3071 -1 8 {} O 0.0 {0.565157 0.31503 0.437607} O6 3072 -1 1 {} H 0.0 {0.556398 0.316134 0.439897} H5 3073 -1 8 {} O 0.0 {0.582607 0.301142 0.424258} O7 3074 -1 1 {} H 0.0 {0.641226 0.368383 0.497799} H6 3075 -1 8 {} O 0.0 {0.53501 0.48032 0.32018} O1 3076 -1 14 {} Si 0.0 {0.594716 0.651051 0.561109} Si1 3077 -1 14 {} Si 0.0 {0.5286 0.49381 0.316389} Si2 3078 -1 8 {} O 0.0 {0.533103 0.495773 0.302107} O2 3079 -1 1 {} H 0.0 {0.642481 0.53821 0.351406} H1 3080 -1 8 {} O 0.0 {0.530759 0.507078 0.323846} O3 3081 -1 1 {} H 0.0 {0.454742 0.423619 0.307624} H2 3082 -1 8 {} O 0.0 {0.611247 0.681334 0.458253} O4 3083 -1 1 {} H 0.0 {0.608261 0.673951 0.453038} H3 3084 -1 8 {} O 0.0 {0.646961 0.529589 0.352422} O5 3085 -1 1 {} H 0.0 {0.66188 0.621395 0.51508} H4 3086 -1 8 {} O 0.0 {0.581839 0.645584 0.553966} O6 3087 -1 1 {} H 0.0 {0.583214 0.644127 0.543818} H5 3088 -1 8 {} O 0.0 {0.597801 0.663205 0.555584} O7 3089 -1 1 {} H 0.0 {0.625911 0.63742 0.519889} H6 3090 -1 8 {} O 0.0 {0.568941 0.427101 0.281303} O1 3091 -1 14 {} Si 0.0 {0.55869 0.436273 0.274144} Si1 3092 -1 14 {} Si 0.0 {0.352481 0.353541 0.531458} Si2 3093 -1 8 {} O 0.0 {0.356024 0.354338 0.516126} O2 3094 -1 1 {} H 0.0 {0.484429 0.313919 0.356007} H1 3095 -1 8 {} O 0.0 {0.345817 0.366294 0.536916} O3 3096 -1 1 {} H 0.0 {0.347413 0.373465 0.530681} H2 3097 -1 8 {} O 0.0 {0.366187 0.354607 0.538442} O4 3098 -1 1 {} H 0.0 {0.649305 0.651829 0.443494} H3 3099 -1 8 {} O 0.0 {0.550946 0.445279 0.284505} O5 3100 -1 1 {} H 0.0 {0.53588 0.361992 0.301593} H4 3101 -1 8 {} O 0.0 {0.56656 0.447437 0.266367} O6 3102 -1 1 {} H 0.0 {0.618085 0.341391 0.478105} H5 3103 -1 8 {} O 0.0 {0.549053 0.428769 0.264467} O7 3104 -1 1 {} H 0.0 {0.543341 0.434943 0.259402} H6 3105 -1 8 {} O 0.0 {0.466672 0.290019 0.454105} O1 3106 -1 14 {} Si 0.0 {0.474598 0.297482 0.465381} Si1 3107 -1 14 {} Si 0.0 {0.457013 0.289811 0.44122} Si2 3108 -1 8 {} O 0.0 {0.462167 0.278134 0.431998} O2 3109 -1 1 {} H 0.0 {0.492753 0.310837 0.565878} H1 3110 -1 8 {} O 0.0 {0.442807 0.289237 0.447113} O3 3111 -1 1 {} H 0.0 {0.441601 0.284785 0.45589} H2 3112 -1 8 {} O 0.0 {0.437555 0.680965 0.425991} O4 3113 -1 1 {} H 0.0 {0.293138 0.434975 0.390885} H3 3114 -1 8 {} O 0.0 {0.466863 0.296391 0.479157} O5 3115 -1 1 {} H 0.0 {0.531963 0.277924 0.370547} H4 3116 -1 8 {} O 0.0 {0.489437 0.292382 0.465741} O6 3117 -1 1 {} H 0.0 {0.490839 0.28539 0.459103} H5 3118 -1 8 {} O 0.0 {0.475507 0.312837 0.460763} O7 3119 -1 1 {} H 0.0 {0.471296 0.313388 0.451742} H6 3120 -1 8 {} O 0.0 {0.608106 0.428916 0.323536} O1 3121 -1 14 {} Si 0.0 {0.574419 0.447181 0.320072} Si1 3122 -1 14 {} Si 0.0 {0.602054 0.437659 0.312308} Si2 3123 -1 8 {} O 0.0 {0.375014 0.384855 0.564056} O2 3124 -1 1 {} H 0.0 {0.461509 0.513626 0.697206} H1 3125 -1 8 {} O 0.0 {0.366512 0.369807 0.58147} O3 3126 -1 1 {} H 0.0 {0.500393 0.525224 0.57093} H2 3127 -1 8 {} O 0.0 {0.601831 0.428921 0.299511} O4 3128 -1 1 {} H 0.0 {0.600637 0.419167 0.300585} H3 3129 -1 8 {} O 0.0 {0.564211 0.451803 0.310107} O5 3130 -1 1 {} H 0.0 {0.587743 0.483661 0.34668} H4 3131 -1 8 {} O 0.0 {0.567516 0.437055 0.329448} O6 3132 -1 1 {} H 0.0 {0.559436 0.432981 0.325388} H5 3133 -1 8 {} O 0.0 {0.576384 0.458978 0.329234} O7 3134 -1 1 {} H 0.0 {0.462182 0.651002 0.614812} H6 3135 -1 8 {} O 0.0 {0.525847 0.31313 0.469377} O1 3136 -1 14 {} Si 0.0 {0.529537 0.314377 0.484247} Si1 3137 -1 14 {} Si 0.0 {0.526603 0.313763 0.454117} Si2 3138 -1 8 {} O 0.0 {0.514801 0.322132 0.447643} O2 3139 -1 1 {} H 0.0 {0.511784 0.327997 0.454986} H1 3140 -1 8 {} O 0.0 {0.525853 0.30036 0.446669} O3 3141 -1 1 {} H 0.0 {0.522911 0.293658 0.453355} H2 3142 -1 8 {} O 0.0 {0.539562 0.321854 0.449109} O4 3143 -1 1 {} H 0.0 {0.53668 0.330214 0.445129} H3 3144 -1 8 {} O 0.0 {0.517736 0.320632 0.492048} O5 3145 -1 1 {} H 0.0 {0.51988 0.329607 0.495249} H4 3146 -1 8 {} O 0.0 {0.530388 0.300097 0.490862} O6 3147 -1 1 {} H 0.0 {0.528978 0.293683 0.48394} H5 3148 -1 8 {} O 0.0 {0.543306 0.319026 0.488598} O7 3149 -1 1 {} H 0.0 {0.471127 0.304979 0.549177} H6 3150 -1 8 {} O 0.0 {0.532363 0.399425 0.28589} O1 3151 -1 14 {} Si 0.0 {0.544932 0.393908 0.27914} Si1 3152 -1 14 {} Si 0.0 {0.516499 0.403057 0.287607} Si2 3153 -1 8 {} O 0.0 {0.513605 0.411409 0.300808} O2 3154 -1 1 {} H 0.0 {0.512695 0.421365 0.299872} H1 3155 -1 8 {} O 0.0 {0.507421 0.390277 0.28529} O3 3156 -1 1 {} H 0.0 {0.497678 0.392498 0.284619} H2 3157 -1 8 {} O 0.0 {0.510178 0.409966 0.274808} O4 3158 -1 1 {} H 0.0 {0.512844 0.406579 0.265661} H3 3159 -1 8 {} O 0.0 {0.541714 0.399633 0.26488} O5 3160 -1 1 {} H 0.0 {0.52014 0.39957 0.31308} H4 3161 -1 8 {} O 0.0 {0.558117 0.399979 0.285512} O6 3162 -1 1 {} H 0.0 {0.559149 0.398376 0.295013} H5 3163 -1 8 {} O 0.0 {0.545216 0.377823 0.280144} O7 3164 -1 1 {} H 0.0 {0.536969 0.374358 0.281637} H6 3165 -1 8 {} O 0.0 {0.525261 0.586118 0.617784} O1 3166 -1 14 {} Si 0.0 {0.565919 0.675797 0.470728} Si1 3167 -1 14 {} Si 0.0 {0.458302 0.591749 0.340741} Si2 3168 -1 8 {} O 0.0 {0.466561 0.604646 0.343834} O2 3169 -1 1 {} H 0.0 {0.511087 0.552468 0.337655} H1 3170 -1 8 {} O 0.0 {0.312037 0.355301 0.451464} O3 3171 -1 1 {} H 0.0 {0.36908 0.341887 0.417084} H2 3172 -1 8 {} O 0.0 {0.457387 0.589522 0.325774} O4 3173 -1 1 {} H 0.0 {0.55221 0.538712 0.339714} H3 3174 -1 8 {} O 0.0 {0.575843 0.686312 0.464822} O5 3175 -1 1 {} H 0.0 {0.629034 0.51691 0.410578} H4 3176 -1 8 {} O 0.0 {0.566184 0.662849 0.461326} O6 3177 -1 1 {} H 0.0 {0.551559 0.529111 0.366437} H5 3178 -1 8 {} O 0.0 {0.551109 0.681466 0.47244} O7 3179 -1 1 {} H 0.0 {0.483334 0.559784 0.265026} H6 3180 -1 8 {} O 0.0 {0.621119 0.589304 0.386296} O1 3181 -1 14 {} Si 0.0 {0.634566 0.581239 0.388881} Si1 3182 -1 14 {} Si 0.0 {0.606727 0.592842 0.38272} Si2 3183 -1 8 {} O 0.0 {0.602365 0.607181 0.386965} O2 3184 -1 1 {} H 0.0 {0.592866 0.607159 0.387865} H1 3185 -1 8 {} O 0.0 {0.595811 0.581869 0.385507} O3 3186 -1 1 {} H 0.0 {0.587537 0.582867 0.380358} H2 3187 -1 8 {} O 0.0 {0.605119 0.592523 0.367207} O4 3188 -1 1 {} H 0.0 {0.591503 0.55314 0.416049} H3 3189 -1 8 {} O 0.0 {0.644086 0.590643 0.39733} O5 3190 -1 1 {} H 0.0 {0.643683 0.599996 0.394502} H4 3191 -1 8 {} O 0.0 {0.631723 0.567565 0.395983} O6 3192 -1 1 {} H 0.0 {0.639503 0.564653 0.401049} H5 3193 -1 8 {} O 0.0 {0.643789 0.578591 0.37686} O7 3194 -1 1 {} H 0.0 {0.653557 0.57606 0.38041} H6 3195 -1 8 {} O 0.0 {0.383532 0.497561 0.614855} O1 3196 -1 14 {} Si 0.0 {0.376287 0.485982 0.606562} Si1 3197 -1 14 {} Si 0.0 {0.396518 0.502708 0.621723} Si2 3198 -1 8 {} O 0.0 {0.40851 0.505378 0.612161} O2 3199 -1 1 {} H 0.0 {0.414387 0.511723 0.616618} H1 3200 -1 8 {} O 0.0 {0.400712 0.49435 0.633955} O3 3201 -1 1 {} H 0.0 {0.393176 0.490146 0.63837} H2 3202 -1 8 {} O 0.0 {0.392053 0.516878 0.627305} O4 3203 -1 1 {} H 0.0 {0.383836 0.519052 0.622617} H3 3204 -1 8 {} O 0.0 {0.365363 0.481511 0.616405} O5 3205 -1 1 {} H 0.0 {0.367803 0.484281 0.625836} H4 3206 -1 8 {} O 0.0 {0.367558 0.491427 0.594484} O6 3207 -1 1 {} H 0.0 {0.365818 0.500898 0.596935} H5 3208 -1 8 {} O 0.0 {0.386088 0.473725 0.604} O7 3209 -1 1 {} H 0.0 {0.38154 0.468352 0.597479} H6 3210 -1 8 {} O 0.0 {0.472969 0.593405 0.448713} O1 3211 -1 14 {} Si 0.0 {0.482735 0.590941 0.460607} Si1 3212 -1 14 {} Si 0.0 {0.466194 0.593996 0.434783} Si2 3213 -1 8 {} O 0.0 {0.47188 0.583254 0.424985} O2 3214 -1 1 {} H 0.0 {0.465955 0.582466 0.417611} H1 3215 -1 8 {} O 0.0 {0.46864 0.607785 0.427325} O3 3216 -1 1 {} H 0.0 {0.46074 0.613641 0.428717} H2 3217 -1 8 {} O 0.0 {0.45105 0.590857 0.436494} O4 3218 -1 1 {} H 0.0 {0.449595 0.581185 0.439117} H3 3219 -1 8 {} O 0.0 {0.493328 0.60225 0.464136} O5 3220 -1 1 {} H 0.0 {0.490306 0.610524 0.460294} H4 3221 -1 8 {} O 0.0 {0.47433 0.588276 0.473834} O6 3222 -1 1 {} H 0.0 {0.477782 0.593881 0.480918} H5 3223 -1 8 {} O 0.0 {0.491891 0.579158 0.458625} O7 3224 -1 1 {} H 0.0 {0.490491 0.572181 0.465765} H6 3225 -1 8 {} O 0.0 {0.675233 0.437274 0.616991} O1 3226 -1 14 {} Si 0.0 {0.532868 0.506222 0.708429} Si1 3227 -1 14 {} Si 0.0 {0.539785 0.533905 0.711261} Si2 3228 -1 8 {} O 0.0 {0.527929 0.544063 0.712764} O2 3229 -1 1 {} H 0.0 {0.43974 0.687557 0.43257} H1 3230 -1 8 {} O 0.0 {0.532437 0.521785 0.704335} O3 3231 -1 1 {} H 0.0 {0.370052 0.480046 0.706359} H2 3232 -1 8 {} O 0.0 {0.549812 0.538459 0.700734} O4 3233 -1 1 {} H 0.0 {0.546779 0.538763 0.691449} H3 3234 -1 8 {} O 0.0 {0.401136 0.316246 0.457604} O5 3235 -1 1 {} H 0.0 {0.577073 0.555283 0.312288} H4 3236 -1 8 {} O 0.0 {0.541156 0.517535 0.724421} O6 3237 -1 1 {} H 0.0 {0.550606 0.515005 0.72391} H5 3238 -1 8 {} O 0.0 {0.519335 0.500389 0.704341} O7 3239 -1 1 {} H 0.0 {0.520086 0.493036 0.696601} H6 3240 -1 8 {} O 0.0 {0.544536 0.481095 0.460156} O1 3241 -1 14 {} Si 0.0 {0.544501 0.493617 0.450862} Si1 3242 -1 14 {} Si 0.0 {0.540399 0.467292 0.465659} Si2 3243 -1 8 {} O 0.0 {0.532389 0.459642 0.455058} O2 3244 -1 1 {} H 0.0 {0.538688 0.454423 0.449997} H1 3245 -1 8 {} O 0.0 {0.530623 0.469584 0.477266} O3 3246 -1 1 {} H 0.0 {0.527514 0.461219 0.481548} H2 3247 -1 8 {} O 0.0 {0.552577 0.460928 0.473296} O4 3248 -1 1 {} H 0.0 {0.555563 0.466625 0.480702} H3 3249 -1 8 {} O 0.0 {0.552907 0.505311 0.457281} O5 3250 -1 1 {} H 0.0 {0.553398 0.503454 0.466771} H4 3251 -1 8 {} O 0.0 {0.54993 0.492376 0.436213} O6 3252 -1 1 {} H 0.0 {0.543063 0.492215 0.429933} H5 3253 -1 8 {} O 0.0 {0.529424 0.497701 0.450262} O7 3254 -1 1 {} H 0.0 {0.523339 0.49118 0.44676} H6 3255 -1 8 {} O 0.0 {0.453073 0.538563 0.450471} O1 3256 -1 14 {} Si 0.0 {0.462535 0.533303 0.461875} Si1 3257 -1 14 {} Si 0.0 {0.442133 0.548045 0.444531} Si2 3258 -1 8 {} O 0.0 {0.442843 0.563528 0.446983} O2 3259 -1 1 {} H 0.0 {0.435058 0.566855 0.450791} H1 3260 -1 8 {} O 0.0 {0.428497 0.542338 0.450939} O3 3261 -1 1 {} H 0.0 {0.429689 0.532988 0.452377} H2 3262 -1 8 {} O 0.0 {0.439465 0.544572 0.430259} O4 3263 -1 1 {} H 0.0 {0.442276 0.535936 0.428098} H3 3264 -1 8 {} O 0.0 {0.455082 0.531931 0.475629} O5 3265 -1 1 {} H 0.0 {0.45082 0.523049 0.476847} H4 3266 -1 8 {} O 0.0 {0.471029 0.520148 0.457961} O6 3267 -1 1 {} H 0.0 {0.479113 0.520029 0.462407} H5 3268 -1 8 {} O 0.0 {0.474571 0.54321 0.46223} O7 3269 -1 1 {} H 0.0 {0.403658 0.484659 0.433962} H6 3270 -1 8 {} O 0.0 {0.648346 0.628799 0.49189} O1 3271 -1 14 {} Si 0.0 {0.643246 0.624442 0.505769} Si1 3272 -1 14 {} Si 0.0 {0.650423 0.628708 0.476676} Si2 3273 -1 8 {} O 0.0 {0.665184 0.625691 0.473774} O2 3274 -1 1 {} H 0.0 {0.665527 0.617395 0.468415} H1 3275 -1 8 {} O 0.0 {0.593637 0.456323 0.470425} O3 3276 -1 1 {} H 0.0 {0.545534 0.504376 0.511016} H2 3277 -1 8 {} O 0.0 {0.644551 0.642616 0.472718} O4 3278 -1 1 {} H 0.0 {0.413885 0.387073 0.361518} H3 3279 -1 8 {} O 0.0 {0.45118 0.439903 0.491945} O5 3280 -1 1 {} H 0.0 {0.647264 0.40403 0.492325} H4 3281 -1 8 {} O 0.0 {0.65301 0.623873 0.517904} O6 3282 -1 1 {} H 0.0 {0.607488 0.590249 0.581749} H5 3283 -1 8 {} O 0.0 {0.626577 0.635003 0.510354} O7 3284 -1 1 {} H 0.0 {0.44751 0.446512 0.486935} H6 3285 -1 8 {} O 0.0 {0.603849 0.385789 0.526161} O1 3286 -1 14 {} Si 0.0 {0.590001 0.391836 0.523731} Si1 3287 -1 14 {} Si 0.0 {0.618846 0.382067 0.525922} Si2 3288 -1 8 {} O 0.0 {0.623993 0.378149 0.511356} O2 3289 -1 1 {} H 0.0 {0.620456 0.384655 0.505487} H1 3290 -1 8 {} O 0.0 {0.624646 0.371851 0.536188} O3 3291 -1 1 {} H 0.0 {0.456433 0.334401 0.487149} H2 3292 -1 8 {} O 0.0 {0.626247 0.39562 0.527888} O4 3293 -1 1 {} H 0.0 {0.625333 0.401045 0.550475} H3 3294 -1 8 {} O 0.0 {0.587599 0.406381 0.520705} O5 3295 -1 1 {} H 0.0 {0.462719 0.443787 0.50483} H4 3296 -1 8 {} O 0.0 {0.58391 0.383089 0.511844} O6 3297 -1 1 {} H 0.0 {0.579113 0.374569 0.514948} H5 3298 -1 8 {} O 0.0 {0.580715 0.388604 0.536107} O7 3299 -1 1 {} H 0.0 {0.506584 0.372412 0.511729} H6 3300 -1 8 {} O 0.0 {0.49787 0.6442 0.345595} O1 3301 -1 14 {} Si 0.0 {0.489592 0.652245 0.355863} Si1 3302 -1 14 {} Si 0.0 {0.50992 0.636872 0.339295} Si2 3303 -1 8 {} O 0.0 {0.514707 0.645495 0.326812} O2 3304 -1 1 {} H 0.0 {0.507114 0.646896 0.32076} H1 3305 -1 8 {} O 0.0 {0.505422 0.623497 0.333259} O3 3306 -1 1 {} H 0.0 {0.508622 0.615392 0.339424} H2 3307 -1 8 {} O 0.0 {0.521549 0.634569 0.348543} O4 3308 -1 1 {} H 0.0 {0.693406 0.584828 0.420305} H3 3309 -1 8 {} O 0.0 {0.494413 0.667125 0.356593} O5 3310 -1 1 {} H 0.0 {0.504211 0.666515 0.354746} H4 3311 -1 8 {} O 0.0 {0.474122 0.65283 0.352819} O6 3312 -1 1 {} H 0.0 {0.469763 0.65794 0.359963} H5 3313 -1 8 {} O 0.0 {0.490182 0.647023 0.370622} O7 3314 -1 1 {} H 0.0 {0.496513 0.652789 0.375517} H6 3315 -1 8 {} O 0.0 {0.632905 0.471123 0.410377} O1 3316 -1 14 {} Si 0.0 {0.645331 0.466633 0.418835} Si1 3317 -1 14 {} Si 0.0 {0.622367 0.470491 0.399369} Si2 3318 -1 8 {} O 0.0 {0.327334 0.369864 0.431758} O2 3319 -1 1 {} H 0.0 {0.327456 0.379494 0.430161} H1 3320 -1 8 {} O 0.0 {0.609146 0.475818 0.404719} O3 3321 -1 1 {} H 0.0 {0.603072 0.478188 0.397115} H2 3322 -1 8 {} O 0.0 {0.620451 0.454781 0.396593} O4 3323 -1 1 {} H 0.0 {0.614924 0.450538 0.404062} H3 3324 -1 8 {} O 0.0 {0.648536 0.475111 0.431428} O5 3325 -1 1 {} H 0.0 {0.657767 0.478336 0.430894} H4 3326 -1 8 {} O 0.0 {0.645647 0.451527 0.423451} O6 3327 -1 1 {} H 0.0 {0.371833 0.360518 0.533297} H5 3328 -1 8 {} O 0.0 {0.470347 0.487211 0.337286} O7 3329 -1 1 {} H 0.0 {0.469094 0.496813 0.339509} H6 3330 -1 8 {} O 0.0 {0.318463 0.51322 0.362567} O1 3331 -1 14 {} Si 0.0 {0.345408 0.595799 0.559617} Si1 3332 -1 14 {} Si 0.0 {0.326432 0.523035 0.371418} Si2 3333 -1 8 {} O 0.0 {0.33462 0.534124 0.364835} O2 3334 -1 1 {} H 0.0 {0.418931 0.518307 0.392873} H1 3335 -1 8 {} O 0.0 {0.339046 0.517195 0.377921} O3 3336 -1 1 {} H 0.0 {0.342642 0.521965 0.386143} H2 3337 -1 8 {} O 0.0 {0.316449 0.530455 0.381061} O4 3338 -1 1 {} H 0.0 {0.306421 0.554975 0.376459} H3 3339 -1 8 {} O 0.0 {0.416247 0.51615 0.402248} O5 3340 -1 1 {} H 0.0 {0.410991 0.479186 0.261001} H4 3341 -1 8 {} O 0.0 {0.406574 0.472346 0.265366} O6 3342 -1 1 {} H 0.0 {0.640678 0.523687 0.347845} H5 3343 -1 8 {} O 0.0 {0.333338 0.585849 0.559119} O7 3344 -1 1 {} H 0.0 {0.333296 0.581437 0.550055} H6 3345 -1 8 {} O 0.0 {0.397011 0.355865 0.388245} O1 3346 -1 14 {} Si 0.0 {0.389372 0.342542 0.386055} Si1 3347 -1 14 {} Si 0.0 {0.400934 0.368762 0.396182} Si2 3348 -1 8 {} O 0.0 {0.389451 0.386023 0.39239} O2 3349 -1 1 {} H 0.0 {0.380362 0.382354 0.391267} H1 3350 -1 8 {} O 0.0 {0.415842 0.369581 0.391276} O3 3351 -1 1 {} H 0.0 {0.416104 0.376823 0.384337} H2 3352 -1 8 {} O 0.0 {0.403695 0.365392 0.410306} O4 3353 -1 1 {} H 0.0 {0.407717 0.355517 0.411357} H3 3354 -1 8 {} O 0.0 {0.374213 0.345111 0.387504} O5 3355 -1 1 {} H 0.0 {0.317016 0.360563 0.44443} H4 3356 -1 8 {} O 0.0 {0.391819 0.338852 0.370858} O6 3357 -1 1 {} H 0.0 {0.386798 0.344513 0.365125} H5 3358 -1 8 {} O 0.0 {0.392388 0.329622 0.395543} O7 3359 -1 1 {} H 0.0 {0.399112 0.324513 0.390955} H6 3360 -1 8 {} O 0.0 {0.424124 0.390231 0.563544} O1 3361 -1 14 {} Si 0.0 {0.435215 0.390007 0.552122} Si1 3362 -1 14 {} Si 0.0 {0.412778 0.390776 0.574774} Si2 3363 -1 8 {} O 0.0 {0.402674 0.379624 0.570618} O2 3364 -1 1 {} H 0.0 {0.406249 0.370372 0.569367} H1 3365 -1 8 {} O 0.0 {0.40721 0.406022 0.577237} O3 3366 -1 1 {} H 0.0 {0.411566 0.412767 0.572179} H2 3367 -1 8 {} O 0.0 {0.41979 0.388125 0.588661} O4 3368 -1 1 {} H 0.0 {0.415538 0.380868 0.593556} H3 3369 -1 8 {} O 0.0 {0.430448 0.3903 0.537639} O5 3370 -1 1 {} H 0.0 {0.484907 0.394783 0.557937} H4 3371 -1 8 {} O 0.0 {0.443632 0.401621 0.556452} O6 3372 -1 1 {} H 0.0 {0.435215 0.412986 0.561798} H5 3373 -1 8 {} O 0.0 {0.4422 0.375973 0.555632} O7 3374 -1 1 {} H 0.0 {0.442403 0.371259 0.563647} H6 3375 -1 8 {} O 0.0 {0.402587 0.518261 0.496158} O1 3376 -1 14 {} Si 0.0 {0.39245 0.506853 0.499991} Si1 3377 -1 14 {} Si 0.0 {0.41414 0.528547 0.49949} Si2 3378 -1 8 {} O 0.0 {0.428497 0.523187 0.501385} O2 3379 -1 1 {} H 0.0 {0.408507 0.531427 0.557801} H1 3380 -1 8 {} O 0.0 {0.40977 0.535043 0.512593} O3 3381 -1 1 {} H 0.0 {0.417542 0.535639 0.518805} H2 3382 -1 8 {} O 0.0 {0.415031 0.539073 0.487803} O4 3383 -1 1 {} H 0.0 {0.421657 0.54566 0.490345} H3 3384 -1 8 {} O 0.0 {0.387847 0.498366 0.487363} O5 3385 -1 1 {} H 0.0 {0.379707 0.492896 0.489895} H4 3386 -1 8 {} O 0.0 {0.398775 0.494703 0.507757} O6 3387 -1 1 {} H 0.0 {0.392752 0.494107 0.516595} H5 3388 -1 8 {} O 0.0 {0.380133 0.513016 0.507739} O7 3389 -1 1 {} H 0.0 {0.375284 0.520188 0.503257} H6 3390 -1 8 {} O 0.0 {0.371911 0.565461 0.319677} O1 3391 -1 14 {} Si 0.0 {0.633852 0.327857 0.481534} Si1 3392 -1 14 {} Si 0.0 {0.369856 0.574121 0.307084} Si2 3393 -1 8 {} O 0.0 {0.568101 0.508669 0.272028} O2 3394 -1 1 {} H 0.0 {0.590758 0.463431 0.476088} H1 3395 -1 8 {} O 0.0 {0.372658 0.567127 0.293725} O3 3396 -1 1 {} H 0.0 {0.365949 0.567533 0.287249} H2 3397 -1 8 {} O 0.0 {0.354433 0.576307 0.307752} O4 3398 -1 1 {} H 0.0 {0.396536 0.518087 0.326359} H3 3399 -1 8 {} O 0.0 {0.635373 0.320854 0.468053} O5 3400 -1 1 {} H 0.0 {0.584711 0.309299 0.419442} H4 3401 -1 8 {} O 0.0 {0.635874 0.316933 0.492687} O6 3402 -1 1 {} H 0.0 {0.562165 0.512113 0.26487} H5 3403 -1 8 {} O 0.0 {0.619171 0.332725 0.48267} O7 3404 -1 1 {} H 0.0 {0.666414 0.600247 0.418446} H6 3405 -1 8 {} O 0.0 {0.492132 0.500481 0.49375} O1 3406 -1 14 {} Si 0.0 {0.501077 0.511065 0.487216} Si1 3407 -1 14 {} Si 0.0 {0.488536 0.48685 0.500683} Si2 3408 -1 8 {} O 0.0 {0.484496 0.476223 0.489792} O2 3409 -1 1 {} H 0.0 {0.475331 0.477551 0.48709} H1 3410 -1 8 {} O 0.0 {0.475401 0.487608 0.508762} O3 3411 -1 1 {} H 0.0 {0.467207 0.488712 0.502861} H2 3412 -1 8 {} O 0.0 {0.499936 0.482515 0.509717} O4 3413 -1 1 {} H 0.0 {0.503619 0.48946 0.515068} H3 3414 -1 8 {} O 0.0 {0.496793 0.515669 0.473132} O5 3415 -1 1 {} H 0.0 {0.503543 0.521642 0.469905} H4 3416 -1 8 {} O 0.0 {0.501128 0.52506 0.495074} O6 3417 -1 1 {} H 0.0 {0.49481 0.523918 0.502459} H5 3418 -1 8 {} O 0.0 {0.515858 0.507001 0.48847} O7 3419 -1 1 {} H 0.0 {0.521048 0.510197 0.480864} H6 3420 -1 8 {} O 0.0 {0.416786 0.624717 0.613141} O1 3421 -1 14 {} Si 0.0 {0.419107 0.634942 0.625181} Si1 3422 -1 14 {} Si 0.0 {0.41343 0.61871 0.598499} Si2 3423 -1 8 {} O 0.0 {0.41338 0.603208 0.601777} O2 3424 -1 1 {} H 0.0 {0.420459 0.598419 0.606913} H1 3425 -1 8 {} O 0.0 {0.425673 0.621731 0.588833} O3 3426 -1 1 {} H 0.0 {0.434402 0.620405 0.593632} H2 3427 -1 8 {} O 0.0 {0.398336 0.623894 0.595109} O4 3428 -1 1 {} H 0.0 {0.426851 0.688266 0.532512} H3 3429 -1 8 {} O 0.0 {0.428022 0.647116 0.62256} O5 3430 -1 1 {} H 0.0 {0.445185 0.652573 0.602025} H4 3431 -1 8 {} O 0.0 {0.404887 0.639616 0.631112} O6 3432 -1 1 {} H 0.0 {0.474659 0.588749 0.665884} H5 3433 -1 8 {} O 0.0 {0.426022 0.625131 0.636076} O7 3434 -1 1 {} H 0.0 {0.432242 0.574108 0.633426} H6 3435 -1 8 {} O 0.0 {0.602987 0.378525 0.459941} O1 3436 -1 14 {} Si 0.0 {0.590706 0.3839 0.45151} Si1 3437 -1 14 {} Si 0.0 {0.614301 0.368288 0.462813} Si2 3438 -1 8 {} O 0.0 {0.610457 0.359284 0.474802} O2 3439 -1 1 {} H 0.0 {0.603117 0.364324 0.480173} H1 3440 -1 8 {} O 0.0 {0.517495 0.34948 0.505399} O3 3441 -1 1 {} H 0.0 {0.509616 0.348176 0.499585} H2 3442 -1 8 {} O 0.0 {0.62773 0.375957 0.466581} O4 3443 -1 1 {} H 0.0 {0.57875 0.408907 0.516896} H3 3444 -1 8 {} O 0.0 {0.581351 0.393773 0.458973} O5 3445 -1 1 {} H 0.0 {0.655236 0.40004 0.526193} H4 3446 -1 8 {} O 0.0 {0.597512 0.39302 0.440789} O6 3447 -1 1 {} H 0.0 {0.601374 0.387372 0.43341} H5 3448 -1 8 {} O 0.0 {0.581707 0.372497 0.445038} O7 3449 -1 1 {} H 0.0 {0.578431 0.366707 0.4518} H6 3450 -1 8 {} O 0.0 {0.602223 0.461777 0.654185} O1 3451 -1 14 {} Si 0.0 {0.524869 0.248033 0.484178} Si1 3452 -1 14 {} Si 0.0 {0.611827 0.452639 0.663168} Si2 3453 -1 8 {} O 0.0 {0.621501 0.461661 0.671601} O2 3454 -1 1 {} H 0.0 {0.578324 0.49632 0.706791} H1 3455 -1 8 {} O 0.0 {0.619871 0.442146 0.654592} O3 3456 -1 1 {} H 0.0 {0.626765 0.445877 0.64908} H2 3457 -1 8 {} O 0.0 {0.602812 0.444623 0.672496} O4 3458 -1 1 {} H 0.0 {0.429897 0.358776 0.379947} H3 3459 -1 8 {} O 0.0 {0.540144 0.244677 0.480438} O5 3460 -1 1 {} H 0.0 {0.542211 0.237502 0.486698} H4 3461 -1 8 {} O 0.0 {0.518824 0.235717 0.491931} O6 3462 -1 1 {} H 0.0 {0.398621 0.314258 0.448815} H5 3463 -1 8 {} O 0.0 {0.523317 0.258284 0.496538} O7 3464 -1 1 {} H 0.0 {0.681606 0.364789 0.518218} H6 3465 -1 8 {} O 0.0 {0.415892 0.420127 0.526505} O1 3466 -1 14 {} Si 0.0 {0.404295 0.426195 0.5342} Si1 3467 -1 14 {} Si 0.0 {0.429689 0.421505 0.517184} Si2 3468 -1 8 {} O 0.0 {0.438382 0.433691 0.522321} O2 3469 -1 1 {} H 0.0 {0.435059 0.43965 0.528834} H1 3470 -1 8 {} O 0.0 {0.425329 0.421944 0.501551} O3 3471 -1 1 {} H 0.0 {0.416571 0.425514 0.50085} H2 3472 -1 8 {} O 0.0 {0.438642 0.40919 0.51991} O4 3473 -1 1 {} H 0.0 {0.434649 0.402919 0.526118} H3 3474 -1 8 {} O 0.0 {0.409398 0.435408 0.546034} O5 3475 -1 1 {} H 0.0 {0.414701 0.430167 0.552491} H4 3476 -1 8 {} O 0.0 {0.396976 0.435224 0.523393} O6 3477 -1 1 {} H 0.0 {0.393287 0.443165 0.528391} H5 3478 -1 8 {} O 0.0 {0.393693 0.414919 0.539056} O7 3479 -1 1 {} H 0.0 {0.354769 0.466628 0.465789} H6 3480 -1 8 {} O 0.0 {0.491751 0.388259 0.450139} O1 3481 -1 14 {} Si 0.0 {0.486236 0.394711 0.462482} Si1 3482 -1 14 {} Si 0.0 {0.501999 0.382546 0.439313} Si2 3483 -1 8 {} O 0.0 {0.516292 0.388511 0.44245} O2 3484 -1 1 {} H 0.0 {0.518559 0.386187 0.451743} H1 3485 -1 8 {} O 0.0 {0.497142 0.387141 0.425304} O3 3486 -1 1 {} H 0.0 {0.49128 0.380514 0.421514} H2 3487 -1 8 {} O 0.0 {0.504614 0.367302 0.440941} O4 3488 -1 1 {} H 0.0 {0.503137 0.364449 0.449578} H3 3489 -1 8 {} O 0.0 {0.494026 0.40863 0.462367} O5 3490 -1 1 {} H 0.0 {0.496328 0.410764 0.45349} H4 3491 -1 8 {} O 0.0 {0.470434 0.395884 0.461157} O6 3492 -1 1 {} H 0.0 {0.468234 0.405715 0.460694} H5 3493 -1 8 {} O 0.0 {0.489099 0.385608 0.475397} O7 3494 -1 1 {} H 0.0 {0.486705 0.390414 0.483555} H6 3495 -1 8 {} O 0.0 {0.716867 0.49965 0.486245} O1 3496 -1 14 {} Si 0.0 {0.731654 0.49835 0.481663} Si1 3497 -1 14 {} Si 0.0 {0.705928 0.501586 0.497004} Si2 3498 -1 8 {} O 0.0 {0.648957 0.492152 0.650989} O2 3499 -1 1 {} H 0.0 {0.741122 0.483926 0.470615} H1 3500 -1 8 {} O 0.0 {0.69352 0.505769 0.489032} O3 3501 -1 1 {} H 0.0 {0.696112 0.510717 0.481061} H2 3502 -1 8 {} O 0.0 {0.707175 0.514482 0.505732} O4 3503 -1 1 {} H 0.0 {0.626764 0.423363 0.499804} H3 3504 -1 8 {} O 0.0 {0.734295 0.483572 0.477484} O5 3505 -1 1 {} H 0.0 {0.641837 0.498483 0.651826} H4 3506 -1 8 {} O 0.0 {0.735 0.507437 0.469306} O6 3507 -1 1 {} H 0.0 {0.737628 0.516324 0.472949} H5 3508 -1 8 {} O 0.0 {0.740102 0.502803 0.494777} O7 3509 -1 1 {} H 0.0 {0.739947 0.495558 0.501202} H6 3510 -1 8 {} O 0.0 {0.323544 0.641512 0.458676} O1 3511 -1 14 {} Si 0.0 {0.336229 0.637031 0.465394} Si1 3512 -1 14 {} Si 0.0 {0.311599 0.651136 0.453038} Si2 3513 -1 8 {} O 0.0 {0.302152 0.63991 0.446898} O2 3514 -1 1 {} H 0.0 {0.29498 0.638253 0.453674} H1 3515 -1 8 {} O 0.0 {0.317447 0.662102 0.444043} O3 3516 -1 1 {} H 0.0 {0.480046 0.623919 0.292376} H2 3517 -1 8 {} O 0.0 {0.305083 0.65868 0.465055} O4 3518 -1 1 {} H 0.0 {0.346098 0.593201 0.431712} H3 3519 -1 8 {} O 0.0 {0.342106 0.621801 0.465816} O5 3520 -1 1 {} H 0.0 {0.352041 0.622042 0.467339} H4 3521 -1 8 {} O 0.0 {0.346599 0.649221 0.461678} O6 3522 -1 1 {} H 0.0 {0.347129 0.649611 0.45241} H5 3523 -1 8 {} O 0.0 {0.334433 0.63821 0.480964} O7 3524 -1 1 {} H 0.0 {0.330808 0.631269 0.486197} H6 3525 -1 8 {} O 0.0 {0.288828 0.613857 0.490598} O1 3526 -1 14 {} Si 0.0 {0.303661 0.609067 0.491585} Si1 3527 -1 14 {} Si 0.0 {0.689878 0.396283 0.514195} Si2 3528 -1 8 {} O 0.0 {0.692822 0.381165 0.511959} O2 3529 -1 1 {} H 0.0 {0.419087 0.650008 0.349809} H1 3530 -1 8 {} O 0.0 {0.697213 0.404994 0.503537} O3 3531 -1 1 {} H 0.0 {0.540495 0.365155 0.458276} H2 3532 -1 8 {} O 0.0 {0.692447 0.400168 0.529065} O4 3533 -1 1 {} H 0.0 {0.348881 0.556381 0.656339} H3 3534 -1 8 {} O 0.0 {0.350176 0.558941 0.665607} O5 3535 -1 1 {} H 0.0 {0.559288 0.392191 0.666911} H4 3536 -1 8 {} O 0.0 {0.314967 0.619034 0.493838} O6 3537 -1 1 {} H 0.0 {0.310659 0.657983 0.473205} H5 3538 -1 8 {} O 0.0 {0.302696 0.600329 0.504786} O7 3539 -1 1 {} H 0.0 {0.296434 0.593477 0.503949} H6 3540 -1 8 {} O 0.0 {0.622098 0.510601 0.614245} O1 3541 -1 14 {} Si 0.0 {0.601061 0.496919 0.639293} Si1 3542 -1 14 {} Si 0.0 {0.607042 0.513396 0.614308} Si2 3543 -1 8 {} O 0.0 {0.601603 0.503284 0.624546} O2 3544 -1 1 {} H 0.0 {0.621777 0.485636 0.614368} H1 3545 -1 8 {} O 0.0 {0.600713 0.291013 0.446006} O3 3546 -1 1 {} H 0.0 {0.443644 0.602837 0.618214} H2 3547 -1 8 {} O 0.0 {0.591072 0.506415 0.64709} O4 3548 -1 1 {} H 0.0 {0.583809 0.501033 0.650907} H3 3549 -1 8 {} O 0.0 {0.615797 0.496407 0.644033} O5 3550 -1 1 {} H 0.0 {0.622032 0.498613 0.636674} H4 3551 -1 8 {} O 0.0 {0.480538 0.585987 0.672887} O6 3552 -1 1 {} H 0.0 {0.596077 0.297482 0.451947} H5 3553 -1 8 {} O 0.0 {0.592765 0.482799 0.63967} O7 3554 -1 1 {} H 0.0 {0.59787 0.476906 0.644875} H6 3555 -1 8 {} O 0.0 {0.476455 0.401694 0.336407} O1 3556 -1 14 {} Si 0.0 {0.481728 0.389933 0.327506} Si1 3557 -1 14 {} Si 0.0 {0.471354 0.416316 0.338026} Si2 3558 -1 8 {} O 0.0 {0.482217 0.426386 0.333496} O2 3559 -1 1 {} H 0.0 {0.478425 0.377899 0.34466} H1 3560 -1 8 {} O 0.0 {0.471164 0.419065 0.353206} O3 3561 -1 1 {} H 0.0 {0.475279 0.411036 0.35723} H2 3562 -1 8 {} O 0.0 {0.457998 0.420308 0.330997} O4 3563 -1 1 {} H 0.0 {0.70462 0.565322 0.515222} H3 3564 -1 8 {} O 0.0 {0.47984 0.376849 0.335529} O5 3565 -1 1 {} H 0.0 {0.575146 0.366041 0.412581} H4 3566 -1 8 {} O 0.0 {0.472281 0.3886 0.31507} O6 3567 -1 1 {} H 0.0 {0.473441 0.37927 0.311565} H5 3568 -1 8 {} O 0.0 {0.346307 0.585407 0.340545} O7 3569 -1 1 {} H 0.0 {0.355896 0.588898 0.341347} H6 3570 -1 8 {} O 0.0 {0.366613 0.629479 0.421527} O1 3571 -1 14 {} Si 0.0 {0.35874 0.63004 0.408046} Si1 3572 -1 14 {} Si 0.0 {0.376752 0.625148 0.432107} Si2 3573 -1 8 {} O 0.0 {0.368194 0.619211 0.443943} O2 3574 -1 1 {} H 0.0 {0.362233 0.611637 0.441092} H1 3575 -1 8 {} O 0.0 {0.383466 0.636519 0.439659} O3 3576 -1 1 {} H 0.0 {0.391623 0.633191 0.4443} H2 3577 -1 8 {} O 0.0 {0.387235 0.615447 0.426439} O4 3578 -1 1 {} H 0.0 {0.389397 0.617652 0.417161} H3 3579 -1 8 {} O 0.0 {0.354012 0.645353 0.406527} O5 3580 -1 1 {} H 0.0 {0.346972 0.64676 0.41264} H4 3581 -1 8 {} O 0.0 {0.369086 0.627044 0.396548} O6 3582 -1 1 {} H 0.0 {0.377523 0.631801 0.396723} H5 3583 -1 8 {} O 0.0 {0.346117 0.621783 0.40882} O7 3584 -1 1 {} H 0.0 {0.389507 0.570166 0.437935} H6 3585 -1 8 {} O 0.0 {0.445489 0.706002 0.469019} O1 3586 -1 14 {} Si 0.0 {0.450453 0.701081 0.45483} Si1 3587 -1 14 {} Si 0.0 {0.436284 0.708946 0.480814} Si2 3588 -1 8 {} O 0.0 {0.421989 0.70851 0.47395} O2 3589 -1 1 {} H 0.0 {0.422014 0.705408 0.464751} H1 3590 -1 8 {} O 0.0 {0.439113 0.722854 0.487166} O3 3591 -1 1 {} H 0.0 {0.447703 0.723975 0.491957} H2 3592 -1 8 {} O 0.0 {0.437348 0.697798 0.491537} O4 3593 -1 1 {} H 0.0 {0.378595 0.574217 0.408205} H3 3594 -1 8 {} O 0.0 {0.439471 0.704105 0.44409} O5 3595 -1 1 {} H 0.0 {0.502384 0.682758 0.455103} H4 3596 -1 8 {} O 0.0 {0.462684 0.709771 0.450013} O6 3597 -1 1 {} H 0.0 {0.528601 0.627918 0.402134} H5 3598 -1 8 {} O 0.0 {0.451949 0.685871 0.4536} O7 3599 -1 1 {} H 0.0 {0.452348 0.682204 0.462922} H6 3600 -1 8 {} O 0.0 {0.642821 0.489236 0.503422} O1 3601 -1 14 {} Si 0.0 {0.64769 0.502443 0.510701} Si1 3602 -1 14 {} Si 0.0 {0.632984 0.477494 0.501182} Si2 3603 -1 8 {} O 0.0 {0.640551 0.464295 0.50535} O2 3604 -1 1 {} H 0.0 {0.634388 0.457469 0.508683} H1 3605 -1 8 {} O 0.0 {0.626367 0.475885 0.487516} O3 3606 -1 1 {} H 0.0 {0.62712 0.314611 0.496287} H2 3607 -1 8 {} O 0.0 {0.621029 0.480786 0.509449} O4 3608 -1 1 {} H 0.0 {0.619269 0.490042 0.511846} H3 3609 -1 8 {} O 0.0 {0.652634 0.512885 0.500585} O5 3610 -1 1 {} H 0.0 {0.655756 0.507851 0.492147} H4 3611 -1 8 {} O 0.0 {0.634795 0.506971 0.518395} O6 3612 -1 1 {} H 0.0 {0.637912 0.509885 0.527699} H5 3613 -1 8 {} O 0.0 {0.660573 0.500575 0.519307} O7 3614 -1 1 {} H 0.0 {0.663834 0.491674 0.517492} H6 3615 -1 8 {} O 0.0 {0.504757 0.297845 0.375585} O1 3616 -1 14 {} Si 0.0 {0.490329 0.299251 0.370724} Si1 3617 -1 14 {} Si 0.0 {0.519182 0.293062 0.378035} Si2 3618 -1 8 {} O 0.0 {0.465504 0.271008 0.514548} O2 3619 -1 1 {} H 0.0 {0.462697 0.270569 0.5052} H1 3620 -1 8 {} O 0.0 {0.52992 0.303567 0.372795} O3 3621 -1 1 {} H 0.0 {0.431595 0.410855 0.646246} H2 3622 -1 8 {} O 0.0 {0.522917 0.280431 0.368896} O4 3623 -1 1 {} H 0.0 {0.537844 0.429051 0.325968} H3 3624 -1 8 {} O 0.0 {0.481069 0.288102 0.3755} O5 3625 -1 1 {} H 0.0 {0.482027 0.285856 0.384742} H4 3626 -1 8 {} O 0.0 {0.484088 0.31071 0.379388} O6 3627 -1 1 {} H 0.0 {0.490597 0.312309 0.386551} H5 3628 -1 8 {} O 0.0 {0.490764 0.30587 0.356363} O7 3629 -1 1 {} H 0.0 {0.639764 0.381931 0.586536} H6 3630 -1 8 {} O 0.0 {0.56725 0.453349 0.584275} O1 3631 -1 14 {} Si 0.0 {0.563701 0.46778 0.579825} Si1 3632 -1 14 {} Si 0.0 {0.572779 0.439163 0.586269} Si2 3633 -1 8 {} O 0.0 {0.567953 0.432937 0.599249} O2 3634 -1 1 {} H 0.0 {0.563935 0.438783 0.606196} H1 3635 -1 8 {} O 0.0 {0.588444 0.440866 0.58665} O3 3636 -1 1 {} H 0.0 {0.592985 0.434612 0.580702} H2 3637 -1 8 {} O 0.0 {0.568654 0.432162 0.572677} O4 3638 -1 1 {} H 0.0 {0.560856 0.427448 0.574059} H3 3639 -1 8 {} O 0.0 {0.550392 0.471174 0.586136} O5 3640 -1 1 {} H 0.0 {0.543875 0.472157 0.579242} H4 3641 -1 8 {} O 0.0 {0.574846 0.478421 0.581842} O6 3642 -1 1 {} H 0.0 {0.579693 0.476669 0.590376} H5 3643 -1 8 {} O 0.0 {0.562387 0.466438 0.564429} O7 3644 -1 1 {} H 0.0 {0.569527 0.470302 0.55947} H6 3645 -1 8 {} O 0.0 {0.511647 0.369705 0.317459} O1 3646 -1 14 {} Si 0.0 {0.514128 0.36084 0.305228} Si1 3647 -1 14 {} Si 0.0 {0.511155 0.38333 0.325571} Si2 3648 -1 8 {} O 0.0 {0.522868 0.391918 0.318706} O2 3649 -1 1 {} H 0.0 {0.311042 0.699781 0.481028} H1 3650 -1 8 {} O 0.0 {0.425632 0.336422 0.538852} O3 3651 -1 1 {} H 0.0 {0.434523 0.339762 0.537252} H2 3652 -1 8 {} O 0.0 {0.496893 0.389862 0.324232} O4 3653 -1 1 {} H 0.0 {0.525723 0.469392 0.351069} H3 3654 -1 8 {} O 0.0 {0.501914 0.363436 0.295571} O5 3655 -1 1 {} H 0.0 {0.503526 0.371982 0.291125} H4 3656 -1 8 {} O 0.0 {0.526738 0.362551 0.296723} O6 3657 -1 1 {} H 0.0 {0.640963 0.344632 0.414099} H5 3658 -1 8 {} O 0.0 {0.513487 0.345804 0.310557} O7 3659 -1 1 {} H 0.0 {0.505166 0.34472 0.31557} H6 3660 -1 8 {} O 0.0 {0.510049 0.483165 0.630359} O1 3661 -1 14 {} Si 0.0 {0.503173 0.493673 0.620958} Si1 3662 -1 14 {} Si 0.0 {0.514131 0.469616 0.636958} Si2 3663 -1 8 {} O 0.0 {0.52093 0.464114 0.624175} O2 3664 -1 1 {} H 0.0 {0.530544 0.466426 0.623007} H1 3665 -1 8 {} O 0.0 {0.502584 0.460114 0.643156} O3 3666 -1 1 {} H 0.0 {0.498684 0.520608 0.614637} H2 3667 -1 8 {} O 0.0 {0.525419 0.470911 0.648156} O4 3668 -1 1 {} H 0.0 {0.528917 0.479383 0.64755} H3 3669 -1 8 {} O 0.0 {0.509301 0.507931 0.626463} O5 3670 -1 1 {} H 0.0 {0.508088 0.509232 0.635969} H4 3671 -1 8 {} O 0.0 {0.50453 0.493797 0.605855} O6 3672 -1 1 {} H 0.0 {0.692685 0.490411 0.62016} H5 3673 -1 8 {} O 0.0 {0.487777 0.495464 0.624591} O7 3674 -1 1 {} H 0.0 {0.482552 0.494962 0.616493} H6 3675 -1 8 {} O 0.0 {0.619198 0.414554 0.469523} O1 3676 -1 14 {} Si 0.0 {0.626162 0.415275 0.455495} Si1 3677 -1 14 {} Si 0.0 {0.617703 0.41221 0.48484} Si2 3678 -1 8 {} O 0.0 {0.605236 0.42143 0.488737} O2 3679 -1 1 {} H 0.0 {0.59937 0.421569 0.480823} H1 3680 -1 8 {} O 0.0 {0.630489 0.418154 0.49275} O3 3681 -1 1 {} H 0.0 {0.651267 0.493934 0.641673} H2 3682 -1 8 {} O 0.0 {0.614641 0.396858 0.489239} O4 3683 -1 1 {} H 0.0 {0.615617 0.391178 0.481531} H3 3684 -1 8 {} O 0.0 {0.629814 0.400286 0.452444} O5 3685 -1 1 {} H 0.0 {0.624888 0.393825 0.457768} H4 3686 -1 8 {} O 0.0 {0.615804 0.418812 0.443807} O6 3687 -1 1 {} H 0.0 {0.608213 0.412236 0.443768} H5 3688 -1 8 {} O 0.0 {0.639803 0.422325 0.457141} O7 3689 -1 1 {} H 0.0 {0.339821 0.58963 0.407149} H6 3690 -1 8 {} O 0.0 {0.558084 0.409673 0.388467} O1 3691 -1 14 {} Si 0.0 {0.559564 0.411102 0.404037} Si1 3692 -1 14 {} Si 0.0 {0.555302 0.403947 0.373448} Si2 3693 -1 8 {} O 0.0 {0.567168 0.394202 0.370601} O2 3694 -1 1 {} H 0.0 {0.452365 0.424143 0.337977} H1 3695 -1 8 {} O 0.0 {0.554655 0.416646 0.365391} O3 3696 -1 1 {} H 0.0 {0.477067 0.395618 0.372913} H2 3697 -1 8 {} O 0.0 {0.542308 0.395511 0.375266} O4 3698 -1 1 {} H 0.0 {0.503828 0.443322 0.304469} H3 3699 -1 8 {} O 0.0 {0.552204 0.400357 0.412084} O5 3700 -1 1 {} H 0.0 {0.614833 0.411922 0.397266} H4 3701 -1 8 {} O 0.0 {0.574737 0.409603 0.406557} O6 3702 -1 1 {} H 0.0 {0.640276 0.30923 0.432111} H5 3703 -1 8 {} O 0.0 {0.55254 0.425256 0.406925} O7 3704 -1 1 {} H 0.0 {0.553668 0.431503 0.399611} H6 3705 -1 8 {} O 0.0 {0.43601 0.547156 0.681082} O1 3706 -1 14 {} Si 0.0 {0.425567 0.535965 0.684166} Si1 3707 -1 14 {} Si 0.0 {0.444847 0.556155 0.672039} Si2 3708 -1 8 {} O 0.0 {0.438712 0.570596 0.671689} O2 3709 -1 1 {} H 0.0 {0.444292 0.576677 0.666804} H1 3710 -1 8 {} O 0.0 {0.443422 0.551649 0.657315} O3 3711 -1 1 {} H 0.0 {0.451673 0.547224 0.653899} H2 3712 -1 8 {} O 0.0 {0.557388 0.54074 0.331364} O4 3713 -1 1 {} H 0.0 {0.551382 0.537642 0.324229} H3 3714 -1 8 {} O 0.0 {0.415638 0.540313 0.695622} O5 3715 -1 1 {} H 0.0 {0.550007 0.571827 0.426547} H4 3716 -1 8 {} O 0.0 {0.58011 0.296293 0.593436} O6 3717 -1 1 {} H 0.0 {0.573566 0.300809 0.598624} H5 3718 -1 8 {} O 0.0 {0.433508 0.523649 0.688771} O7 3719 -1 1 {} H 0.0 {0.427574 0.516026 0.68924} H6 3720 -1 8 {} O 0.0 {0.377994 0.379596 0.438251} O1 3721 -1 14 {} Si 0.0 {0.39288 0.384626 0.439628} Si1 3722 -1 14 {} Si 0.0 {0.365355 0.37044 0.439631} Si2 3723 -1 8 {} O 0.0 {0.356847 0.372862 0.426735} O2 3724 -1 1 {} H 0.0 {0.35622 0.382481 0.425049} H1 3725 -1 8 {} O 0.0 {0.356699 0.375168 0.452269} O3 3726 -1 1 {} H 0.0 {0.348211 0.370181 0.4535} H2 3727 -1 8 {} O 0.0 {0.369407 0.35572 0.441335} O4 3728 -1 1 {} H 0.0 {0.422019 0.367444 0.462116} H3 3729 -1 8 {} O 0.0 {0.40481 0.373902 0.437665} O5 3730 -1 1 {} H 0.0 {0.406334 0.371545 0.428361} H4 3731 -1 8 {} O 0.0 {0.394394 0.398115 0.43281} O6 3732 -1 1 {} H 0.0 {0.399397 0.405972 0.432961} H5 3733 -1 8 {} O 0.0 {0.394071 0.391149 0.453947} O7 3734 -1 1 {} H 0.0 {0.386035 0.395814 0.457485} H6 3735 -1 8 {} O 0.0 {0.501135 0.524606 0.677034} O1 3736 -1 14 {} Si 0.0 {0.514338 0.524782 0.666269} Si1 3737 -1 14 {} Si 0.0 {0.494163 0.526832 0.690674} Si2 3738 -1 8 {} O 0.0 {0.47976 0.532878 0.688567} O2 3739 -1 1 {} H 0.0 {0.473342 0.52924 0.697281} H1 3740 -1 8 {} O 0.0 {0.504949 0.535473 0.699014} O3 3741 -1 1 {} H 0.0 {0.504178 0.545988 0.698159} H2 3742 -1 8 {} O 0.0 {0.49567 0.512695 0.697486} O4 3743 -1 1 {} H 0.0 {0.505171 0.509749 0.699619} H3 3744 -1 8 {} O 0.0 {0.508927 0.516855 0.652749} O5 3745 -1 1 {} H 0.0 {0.498922 0.51896 0.651856} H4 3746 -1 8 {} O 0.0 {0.519303 0.53896 0.664155} O6 3747 -1 1 {} H 0.0 {0.553411 0.580712 0.711307} H5 3748 -1 8 {} O 0.0 {0.526675 0.51664 0.671418} O7 3749 -1 1 {} H 0.0 {0.530466 0.519543 0.67989} H6 3750 -1 8 {} O 0.0 {0.626324 0.50722 0.441634} O1 3751 -1 14 {} Si 0.0 {0.626457 0.519141 0.431195} Si1 3752 -1 14 {} Si 0.0 {0.619909 0.496763 0.450784} Si2 3753 -1 8 {} O 0.0 {0.625431 0.492968 0.464641} O2 3754 -1 1 {} H 0.0 {0.634595 0.495712 0.46601} H1 3755 -1 8 {} O 0.0 {0.621929 0.482604 0.444097} O3 3756 -1 1 {} H 0.0 {0.631114 0.481837 0.440362} H2 3757 -1 8 {} O 0.0 {0.6045 0.498518 0.450657} O4 3758 -1 1 {} H 0.0 {0.645537 0.45119 0.433275} H3 3759 -1 8 {} O 0.0 {0.61587 0.528515 0.437221} O5 3760 -1 1 {} H 0.0 {0.614915 0.52694 0.447183} H4 3761 -1 8 {} O 0.0 {0.64081 0.525013 0.429254} O6 3762 -1 1 {} H 0.0 {0.51758 0.537654 0.388859} H5 3763 -1 8 {} O 0.0 {0.622345 0.514548 0.416876} O7 3764 -1 1 {} H 0.0 {0.6396 0.465793 0.368269} H6 3765 -1 8 {} O 0.0 {0.359115 0.578442 0.459222} O1 3766 -1 14 {} Si 0.0 {0.359678 0.579234 0.443208} Si1 3767 -1 14 {} Si 0.0 {0.362858 0.572708 0.473528} Si2 3768 -1 8 {} O 0.0 {0.351497 0.575875 0.483583} O2 3769 -1 1 {} H 0.0 {0.342544 0.577316 0.47973} H1 3770 -1 8 {} O 0.0 {0.374436 0.580203 0.480148} O3 3771 -1 1 {} H 0.0 {0.382456 0.575022 0.480099} H2 3772 -1 8 {} O 0.0 {0.365111 0.556997 0.475173} O4 3773 -1 1 {} H 0.0 {0.356285 0.552369 0.475006} H3 3774 -1 8 {} O 0.0 {0.37406 0.579069 0.436212} O5 3775 -1 1 {} H 0.0 {0.315199 0.620626 0.503508} H4 3776 -1 8 {} O 0.0 {0.349963 0.569204 0.436221} O6 3777 -1 1 {} H 0.0 {0.341589 0.566941 0.44114} H5 3778 -1 8 {} O 0.0 {0.352523 0.593115 0.439723} O7 3779 -1 1 {} H 0.0 {0.477534 0.547922 0.454002} H6 3780 -1 8 {} O 0.0 {0.337549 0.503199 0.548672} O1 3781 -1 14 {} Si 0.0 {0.350171 0.497098 0.555519} Si1 3782 -1 14 {} Si 0.0 {0.322445 0.508991 0.550716} Si2 3783 -1 8 {} O 0.0 {0.322567 0.506205 0.566155} O2 3784 -1 1 {} H 0.0 {0.321638 0.542908 0.555224} H1 3785 -1 8 {} O 0.0 {0.312787 0.500193 0.541792} O3 3786 -1 1 {} H 0.0 {0.31706 0.495702 0.534504} H2 3787 -1 8 {} O 0.0 {0.322589 0.524399 0.54808} O4 3788 -1 1 {} H 0.0 {0.3239 0.524861 0.538044} H3 3789 -1 8 {} O 0.0 {0.69628 0.592327 0.414054} O5 3790 -1 1 {} H 0.0 {0.703035 0.596128 0.420013} H4 3791 -1 8 {} O 0.0 {0.35692 0.488002 0.544713} O6 3792 -1 1 {} H 0.0 {0.351834 0.485816 0.536204} H5 3793 -1 8 {} O 0.0 {0.575386 0.303546 0.386594} O7 3794 -1 1 {} H 0.0 {0.572 0.304697 0.395505} H6 3795 -1 8 {} O 0.0 {0.456473 0.359988 0.598006} O1 3796 -1 14 {} Si 0.0 {0.455675 0.347997 0.588409} Si1 3797 -1 14 {} Si 0.0 {0.450934 0.369703 0.609163} Si2 3798 -1 8 {} O 0.0 {0.317145 0.619057 0.433639} O2 3799 -1 1 {} H 0.0 {0.312456 0.626692 0.436712} H1 3800 -1 8 {} O 0.0 {0.447236 0.383385 0.601721} O3 3801 -1 1 {} H 0.0 {0.450013 0.381511 0.592496} H2 3802 -1 8 {} O 0.0 {0.464843 0.372583 0.617316} O4 3803 -1 1 {} H 0.0 {0.472029 0.373272 0.610545} H3 3804 -1 8 {} O 0.0 {0.47014 0.342393 0.587203} O5 3805 -1 1 {} H 0.0 {0.476362 0.348325 0.592729} H4 3806 -1 8 {} O 0.0 {0.446923 0.336274 0.593063} O6 3807 -1 1 {} H 0.0 {0.445876 0.328925 0.586295} H5 3808 -1 8 {} O 0.0 {0.451179 0.352076 0.574164} O7 3809 -1 1 {} H 0.0 {0.451509 0.344803 0.568225} H6 3810 -1 8 {} O 0.0 {0.497188 0.554677 0.412934} O1 3811 -1 14 {} Si 0.0 {0.500835 0.556822 0.397796} Si1 3812 -1 14 {} Si 0.0 {0.490716 0.547203 0.424912} Si2 3813 -1 8 {} O 0.0 {0.483242 0.556574 0.435164} O2 3814 -1 1 {} H 0.0 {0.480907 0.565345 0.43122} H1 3815 -1 8 {} O 0.0 {0.500337 0.536181 0.430572} O3 3816 -1 1 {} H 0.0 {0.503986 0.531416 0.422937} H2 3817 -1 8 {} O 0.0 {0.478706 0.539564 0.419793} O4 3818 -1 1 {} H 0.0 {0.472824 0.545573 0.414374} H3 3819 -1 8 {} O 0.0 {0.495012 0.547565 0.386431} O5 3820 -1 1 {} H 0.0 {0.508556 0.571179 0.451466} H4 3821 -1 8 {} O 0.0 {0.500076 0.572423 0.395275} O6 3822 -1 1 {} H 0.0 {0.50595 0.574618 0.387504} H5 3823 -1 8 {} O 0.0 {0.516117 0.555602 0.398272} O7 3824 -1 1 {} H 0.0 {0.520364 0.562885 0.403669} H6 3825 -1 8 {} O 0.0 {0.518552 0.575007 0.312217} O1 3826 -1 14 {} Si 0.0 {0.519674 0.560444 0.30696} Si1 3827 -1 14 {} Si 0.0 {0.429866 0.591143 0.349164} Si2 3828 -1 8 {} O 0.0 {0.491108 0.55677 0.259001} O2 3829 -1 1 {} H 0.0 {0.46207 0.4764 0.320445} H1 3830 -1 8 {} O 0.0 {0.298842 0.704317 0.460801} O3 3831 -1 1 {} H 0.0 {0.370332 0.387997 0.330874} H2 3832 -1 8 {} O 0.0 {0.426125 0.597551 0.36282} O4 3833 -1 1 {} H 0.0 {0.286352 0.625049 0.469683} H3 3834 -1 8 {} O 0.0 {0.523446 0.552072 0.319234} O5 3835 -1 1 {} H 0.0 {0.527716 0.543308 0.316136} H4 3836 -1 8 {} O 0.0 {0.529107 0.558015 0.294586} O6 3837 -1 1 {} H 0.0 {0.522994 0.556286 0.286562} H5 3838 -1 8 {} O 0.0 {0.443852 0.595781 0.345393} O7 3839 -1 1 {} H 0.0 {0.524535 0.576002 0.319957} H6 3840 -1 8 {} O 0.0 {0.304213 0.546607 0.497435} O1 3841 -1 14 {} Si 0.0 {0.588042 0.561928 0.343216} Si1 3842 -1 14 {} Si 0.0 {0.290514 0.553452 0.495561} Si2 3843 -1 8 {} O 0.0 {0.289246 0.55584 0.480014} O2 3844 -1 1 {} H 0.0 {0.415109 0.417965 0.680529} H1 3845 -1 8 {} O 0.0 {0.292377 0.568014 0.499731} O3 3846 -1 1 {} H 0.0 {0.310895 0.531581 0.465981} H2 3847 -1 8 {} O 0.0 {0.27826 0.543834 0.498951} O4 3848 -1 1 {} H 0.0 {0.318013 0.541952 0.512627} H3 3849 -1 8 {} O 0.0 {0.578062 0.557587 0.354829} O5 3850 -1 1 {} H 0.0 {0.582638 0.555176 0.362789} H4 3851 -1 8 {} O 0.0 {0.583398 0.553779 0.330872} O6 3852 -1 1 {} H 0.0 {0.584903 0.598101 0.359346} H5 3853 -1 8 {} O 0.0 {0.56696 0.369559 0.356855} O7 3854 -1 1 {} H 0.0 {0.315847 0.576524 0.565286} H6 3855 -1 8 {} O 0.0 {0.644037 0.628252 0.415781} O1 3856 -1 14 {} Si 0.0 {0.644385 0.63199 0.400965} Si1 3857 -1 14 {} Si 0.0 {0.637314 0.628931 0.430067} Si2 3858 -1 8 {} O 0.0 {0.626805 0.617681 0.430939} O2 3859 -1 1 {} H 0.0 {0.619378 0.620759 0.426765} H1 3860 -1 8 {} O 0.0 {0.628061 0.641136 0.43384} O3 3861 -1 1 {} H 0.0 {0.632543 0.646648 0.440809} H2 3862 -1 8 {} O 0.0 {0.647602 0.628269 0.441227} O4 3863 -1 1 {} H 0.0 {0.644655 0.622161 0.448045} H3 3864 -1 8 {} O 0.0 {0.644513 0.62094 0.390547} O5 3865 -1 1 {} H 0.0 {0.638876 0.622639 0.382848} H4 3866 -1 8 {} O 0.0 {0.635292 0.643925 0.397527} O6 3867 -1 1 {} H 0.0 {0.640016 0.651874 0.398686} H5 3868 -1 8 {} O 0.0 {0.658206 0.639265 0.398867} O7 3869 -1 1 {} H 0.0 {0.662832 0.633603 0.392696} H6 3870 -1 8 {} O 0.0 {0.366248 0.38004 0.354275} O1 3871 -1 14 {} Si 0.0 {0.380098 0.373343 0.352798} Si1 3872 -1 14 {} Si 0.0 {0.354939 0.389627 0.358502} Si2 3873 -1 8 {} O 0.0 {0.345714 0.384444 0.369465} O2 3874 -1 1 {} H 0.0 {0.347899 0.375705 0.371719} H1 3875 -1 8 {} O 0.0 {0.347554 0.394791 0.345873} O3 3876 -1 1 {} H 0.0 {0.353335 0.393118 0.337196} H2 3877 -1 8 {} O 0.0 {0.361765 0.402759 0.365297} O4 3878 -1 1 {} H 0.0 {0.52032 0.53972 0.708137} H3 3879 -1 8 {} O 0.0 {0.38569 0.377544 0.338659} O5 3880 -1 1 {} H 0.0 {0.394629 0.381621 0.340602} H4 3881 -1 8 {} O 0.0 {0.344211 0.413748 0.592638} O6 3882 -1 1 {} H 0.0 {0.352527 0.408533 0.590636} H5 3883 -1 8 {} O 0.0 {0.377835 0.357084 0.352239} O7 3884 -1 1 {} H 0.0 {0.379322 0.35458 0.343012} H6 3885 -1 8 {} O 0.0 {0.337038 0.58732 0.372869} O1 3886 -1 14 {} Si 0.0 {0.336868 0.602955 0.374744} Si1 3887 -1 14 {} Si 0.0 {0.333901 0.573463 0.379511} Si2 3888 -1 8 {} O 0.0 {0.319204 0.571153 0.376854} O2 3889 -1 1 {} H 0.0 {0.348771 0.66989 0.475118} H1 3890 -1 8 {} O 0.0 {0.335735 0.57265 0.394695} O3 3891 -1 1 {} H 0.0 {0.334793 0.562627 0.398311} H2 3892 -1 8 {} O 0.0 {0.344993 0.56437 0.374086} O4 3893 -1 1 {} H 0.0 {0.354164 0.565406 0.377629} H3 3894 -1 8 {} O 0.0 {0.347266 0.607752 0.364194} O5 3895 -1 1 {} H 0.0 {0.428969 0.619143 0.341678} H4 3896 -1 8 {} O 0.0 {0.322329 0.606987 0.372198} O6 3897 -1 1 {} H 0.0 {0.317711 0.607647 0.380429} H5 3898 -1 8 {} O 0.0 {0.340506 0.607691 0.388669} O7 3899 -1 1 {} H 0.0 {0.315019 0.583626 0.50769} H6 3900 -1 8 {} O 0.0 {0.592081 0.419667 0.374652} O1 3901 -1 14 {} Si 0.0 {0.599785 0.408324 0.382544} Si1 3902 -1 14 {} Si 0.0 {0.58618 0.432184 0.366303} Si2 3903 -1 8 {} O 0.0 {0.571234 0.434461 0.370284} O2 3904 -1 1 {} H 0.0 {0.573403 0.479112 0.408462} H1 3905 -1 8 {} O 0.0 {0.585272 0.426772 0.351818} O3 3906 -1 1 {} H 0.0 {0.67676 0.429015 0.418904} H2 3907 -1 8 {} O 0.0 {0.594476 0.445265 0.367855} O4 3908 -1 1 {} H 0.0 {0.602247 0.444367 0.374016} H3 3909 -1 8 {} O 0.0 {0.605833 0.413492 0.395896} O5 3910 -1 1 {} H 0.0 {0.581526 0.40544 0.397355} H4 3911 -1 8 {} O 0.0 {0.587623 0.4 0.386367} O6 3912 -1 1 {} H 0.0 {0.575746 0.398114 0.37543} H5 3913 -1 8 {} O 0.0 {0.609652 0.402018 0.371218} O7 3914 -1 1 {} H 0.0 {0.669132 0.401643 0.476968} H6 3915 -1 8 {} O 0.0 {0.685007 0.577592 0.463724} O1 3916 -1 14 {} Si 0.0 {0.672399 0.573134 0.471412} Si1 3917 -1 14 {} Si 0.0 {0.69485 0.587113 0.455744} Si2 3918 -1 8 {} O 0.0 {0.709672 0.585604 0.460678} O2 3919 -1 1 {} H 0.0 {0.710637 0.576165 0.463955} H1 3920 -1 8 {} O 0.0 {0.687347 0.601354 0.457847} O3 3921 -1 1 {} H 0.0 {0.687353 0.602891 0.467247} H2 3922 -1 8 {} O 0.0 {0.694345 0.581318 0.440782} O4 3923 -1 1 {} H 0.0 {0.688849 0.573575 0.440688} H3 3924 -1 8 {} O 0.0 {0.661509 0.573814 0.460336} O5 3925 -1 1 {} H 0.0 {0.655093 0.581403 0.461271} H4 3926 -1 8 {} O 0.0 {0.677407 0.554355 0.477249} O6 3927 -1 1 {} H 0.0 {0.671541 0.55159 0.484653} H5 3928 -1 8 {} O 0.0 {0.669885 0.584021 0.481632} O7 3929 -1 1 {} H 0.0 {0.678344 0.589143 0.483682} H6 3930 -1 8 {} O 0.0 {0.412299 0.463438 0.411544} O1 3931 -1 14 {} Si 0.0 {0.404885 0.477004 0.414481} Si1 3932 -1 14 {} Si 0.0 {0.425167 0.454846 0.41282} Si2 3933 -1 8 {} O 0.0 {0.423956 0.442948 0.403327} O2 3934 -1 1 {} H 0.0 {0.417111 0.437565 0.406807} H1 3935 -1 8 {} O 0.0 {0.425903 0.448179 0.426971} O3 3936 -1 1 {} H 0.0 {0.385989 0.539598 0.437334} H2 3937 -1 8 {} O 0.0 {0.437695 0.463563 0.411799} O4 3938 -1 1 {} H 0.0 {0.435002 0.47291 0.409352} H3 3939 -1 8 {} O 0.0 {0.410723 0.48369 0.427397} O5 3940 -1 1 {} H 0.0 {0.417043 0.464745 0.501775} H4 3941 -1 8 {} O 0.0 {0.40789 0.487499 0.40238} O6 3942 -1 1 {} H 0.0 {0.402941 0.484923 0.393816} H5 3943 -1 8 {} O 0.0 {0.389162 0.472106 0.415554} O7 3944 -1 1 {} H 0.0 {0.383349 0.479836 0.413594} H6 3945 -1 8 {} O 0.0 {0.378393 0.621156 0.495674} O1 3946 -1 14 {} Si 0.0 {0.373098 0.611394 0.506997} Si1 3947 -1 14 {} Si 0.0 {0.379786 0.631886 0.483665} Si2 3948 -1 8 {} O 0.0 {0.369033 0.629166 0.472552} O2 3949 -1 1 {} H 0.0 {0.393315 0.569175 0.508246} H1 3950 -1 8 {} O 0.0 {0.394808 0.628349 0.479248} O3 3951 -1 1 {} H 0.0 {0.40163 0.625099 0.486112} H2 3952 -1 8 {} O 0.0 {0.380589 0.646422 0.48863} O4 3953 -1 1 {} H 0.0 {0.387325 0.652408 0.484923} H3 3954 -1 8 {} O 0.0 {0.371274 0.61911 0.520953} O5 3955 -1 1 {} H 0.0 {0.37235 0.629239 0.518991} H4 3956 -1 8 {} O 0.0 {0.360745 0.602854 0.502997} O6 3957 -1 1 {} H 0.0 {0.426817 0.557868 0.614282} H5 3958 -1 8 {} O 0.0 {0.384263 0.600457 0.508706} O7 3959 -1 1 {} H 0.0 {0.391972 0.60233 0.502949} H6 3960 -1 8 {} O 0.0 {0.495329 0.444198 0.473913} O1 3961 -1 14 {} Si 0.0 {0.503644 0.438819 0.486607} Si1 3962 -1 14 {} Si 0.0 {0.493295 0.450916 0.460024} Si2 3963 -1 8 {} O 0.0 {0.479869 0.446041 0.453216} O2 3964 -1 1 {} H 0.0 {0.477023 0.451938 0.446157} H1 3965 -1 8 {} O 0.0 {0.504235 0.449834 0.449531} O3 3966 -1 1 {} H 0.0 {0.513347 0.453034 0.452866} H2 3967 -1 8 {} O 0.0 {0.490108 0.466165 0.461234} O4 3968 -1 1 {} H 0.0 {0.487979 0.468601 0.470737} H3 3969 -1 8 {} O 0.0 {0.508899 0.424699 0.482353} O5 3970 -1 1 {} H 0.0 {0.501498 0.421496 0.476086} H4 3971 -1 8 {} O 0.0 {0.516359 0.446858 0.490437} O6 3972 -1 1 {} H 0.0 {0.524057 0.441083 0.491944} H5 3973 -1 8 {} O 0.0 {0.496303 0.436584 0.500453} O7 3974 -1 1 {} H 0.0 {0.501959 0.440092 0.507333} H6 3975 -1 8 {} O 0.0 {0.696059 0.508851 0.603177} O1 3976 -1 14 {} Si 0.0 {0.690882 0.522914 0.606985} Si1 3977 -1 14 {} Si 0.0 {0.706489 0.496695 0.605299} Si2 3978 -1 8 {} O 0.0 {0.721331 0.49993 0.603023} O2 3979 -1 1 {} H 0.0 {0.723877 0.496978 0.59393} H1 3980 -1 8 {} O 0.0 {0.702212 0.484938 0.595534} O3 3981 -1 1 {} H 0.0 {0.697979 0.489077 0.587856} H2 3982 -1 8 {} O 0.0 {0.701918 0.493755 0.62013} O4 3983 -1 1 {} H 0.0 {0.341284 0.414279 0.583305} H3 3984 -1 8 {} O 0.0 {0.675179 0.522495 0.609467} O5 3985 -1 1 {} H 0.0 {0.671761 0.531832 0.611828} H4 3986 -1 8 {} O 0.0 {0.694624 0.52577 0.621825} O6 3987 -1 1 {} H 0.0 {0.694617 0.517113 0.626927} H5 3988 -1 8 {} O 0.0 {0.691394 0.53336 0.595166} O7 3989 -1 1 {} H 0.0 {0.69059 0.529042 0.587148} H6 3990 -1 8 {} O 0.0 {0.400083 0.600065 0.650793} O1 3991 -1 14 {} Si 0.0 {0.385941 0.605951 0.653214} Si1 3992 -1 14 {} Si 0.0 {0.413623 0.593599 0.654409} Si2 3993 -1 8 {} O 0.0 {0.413393 0.585342 0.667989} O2 3994 -1 1 {} H 0.0 {0.421131 0.579455 0.668486} H1 3995 -1 8 {} O 0.0 {0.425461 0.603915 0.654392} O3 3996 -1 1 {} H 0.0 {0.422388 0.611151 0.649429} H2 3997 -1 8 {} O 0.0 {0.416658 0.582055 0.643762} O4 3998 -1 1 {} H 0.0 {0.410616 0.583747 0.636365} H3 3999 -1 8 {} O 0.0 {0.386282 0.619781 0.660537} O5 4000 -1 1 {} H 0.0 {0.366734 0.531134 0.651168} H4 4001 -1 8 {} O 0.0 {0.381298 0.608637 0.638459} O6 4002 -1 1 {} H 0.0 {0.385179 0.601701 0.63261} H5 4003 -1 8 {} O 0.0 {0.377159 0.594475 0.659674} O7 4004 -1 1 {} H 0.0 {0.383722 0.588642 0.663791} H6 4005 -1 8 {} O 0.0 {0.446585 0.500685 0.428581} O1 4006 -1 14 {} Si 0.0 {0.450213 0.508227 0.41585} Si1 4007 -1 14 {} Si 0.0 {0.443433 0.498087 0.443794} Si2 4008 -1 8 {} O 0.0 {0.433484 0.486677 0.445838} O2 4009 -1 1 {} H 0.0 {0.427696 0.484932 0.43821} H1 4010 -1 8 {} O 0.0 {0.43464 0.510023 0.448432} O3 4011 -1 1 {} H 0.0 {0.434361 0.509363 0.458456} H2 4012 -1 8 {} O 0.0 {0.456127 0.496689 0.453696} O4 4013 -1 1 {} H 0.0 {0.463576 0.502502 0.45018} H3 4014 -1 8 {} O 0.0 {0.442321 0.521266 0.414772} O5 4015 -1 1 {} H 0.0 {0.432726 0.519435 0.4111} H4 4016 -1 8 {} O 0.0 {0.464832 0.512353 0.420007} O6 4017 -1 1 {} H 0.0 {0.46457 0.522484 0.421701} H5 4018 -1 8 {} O 0.0 {0.449499 0.49883 0.403413} O7 4019 -1 1 {} H 0.0 {0.455646 0.491802 0.404489} H6 4020 -1 8 {} O 0.0 {0.604789 0.588279 0.611864} O1 4021 -1 14 {} Si 0.0 {0.600082 0.580165 0.598907} Si1 4022 -1 14 {} Si 0.0 {0.610067 0.590662 0.625848} Si2 4023 -1 8 {} O 0.0 {0.622454 0.581235 0.629207} O2 4024 -1 1 {} H 0.0 {0.620885 0.572181 0.626743} H1 4025 -1 8 {} O 0.0 {0.595331 0.589015 0.633278} O3 4026 -1 1 {} H 0.0 {0.591686 0.59767 0.634974} H2 4027 -1 8 {} O 0.0 {0.614052 0.605737 0.627488} O4 4028 -1 1 {} H 0.0 {0.609347 0.609872 0.635111} H3 4029 -1 8 {} O 0.0 {0.598745 0.590433 0.586773} O5 4030 -1 1 {} H 0.0 {0.602955 0.686804 0.459739} H4 4031 -1 8 {} O 0.0 {0.609731 0.569789 0.592799} O6 4032 -1 1 {} H 0.0 {0.605825 0.561121 0.59352} H5 4033 -1 8 {} O 0.0 {0.586662 0.57264 0.603024} O7 4034 -1 1 {} H 0.0 {0.580402 0.579563 0.606185} H6 4035 -1 8 {} O 0.0 {0.428876 0.316138 0.523825} O1 4036 -1 14 {} Si 0.0 {0.421106 0.329277 0.525435} Si1 4037 -1 14 {} Si 0.0 {0.431226 0.300907 0.526456} Si2 4038 -1 8 {} O 0.0 {0.436006 0.298691 0.540938} O2 4039 -1 1 {} H 0.0 {0.445184 0.302268 0.542109} H1 4040 -1 8 {} O 0.0 {0.442669 0.295651 0.517504} O3 4041 -1 1 {} H 0.0 {0.442099 0.299462 0.508873} H2 4042 -1 8 {} O 0.0 {0.417935 0.295161 0.522038} O4 4043 -1 1 {} H 0.0 {0.371501 0.498357 0.44671} H3 4044 -1 8 {} O 0.0 {0.425632 0.338142 0.51306} O5 4045 -1 1 {} H 0.0 {0.621658 0.553807 0.512786} H4 4046 -1 8 {} O 0.0 {0.429914 0.602538 0.416164} O6 4047 -1 1 {} H 0.0 {0.423865 0.606057 0.422848} H5 4048 -1 8 {} O 0.0 {0.301721 0.69756 0.481861} O7 4049 -1 1 {} H 0.0 {0.598198 0.52361 0.381931} H6 4050 -1 8 {} O 0.0 {0.62035 0.386796 0.571346} O1 4051 -1 14 {} Si 0.0 {0.625928 0.401348 0.571606} Si1 4052 -1 14 {} Si 0.0 {0.618498 0.371929 0.575962} Si2 4053 -1 8 {} O 0.0 {0.611832 0.364523 0.561781} O2 4054 -1 1 {} H 0.0 {0.603947 0.360275 0.564187} H1 4055 -1 8 {} O 0.0 {0.60858 0.370993 0.588078} O3 4056 -1 1 {} H 0.0 {0.63444 0.395353 0.522146} H2 4057 -1 8 {} O 0.0 {0.632179 0.36525 0.577795} O4 4058 -1 1 {} H 0.0 {0.635981 0.360916 0.570023} H3 4059 -1 8 {} O 0.0 {0.62387 0.40849 0.557291} O5 4060 -1 1 {} H 0.0 {0.660716 0.369908 0.554429} H4 4061 -1 8 {} O 0.0 {0.617558 0.4081 0.583341} O6 4062 -1 1 {} H 0.0 {0.619602 0.417189 0.584347} H5 4063 -1 8 {} O 0.0 {0.641239 0.402566 0.57498} O7 4064 -1 1 {} H 0.0 {0.607412 0.452742 0.689692} H6 4065 -1 8 {} O 0.0 {0.431419 0.384643 0.320852} O1 4066 -1 14 {} Si 0.0 {0.431527 0.381635 0.335952} Si1 4067 -1 14 {} Si 0.0 {0.435301 0.391247 0.307397} Si2 4068 -1 8 {} O 0.0 {0.445528 0.4031 0.307996} O2 4069 -1 1 {} H 0.0 {0.454789 0.399781 0.309085} H1 4070 -1 8 {} O 0.0 {0.423495 0.395833 0.299207} O3 4071 -1 1 {} H 0.0 {0.423887 0.405202 0.297088} H2 4072 -1 8 {} O 0.0 {0.44223 0.379797 0.299142} O4 4073 -1 1 {} H 0.0 {0.434838 0.37356 0.296916} H3 4074 -1 8 {} O 0.0 {0.417812 0.387373 0.341014} O5 4075 -1 1 {} H 0.0 {0.414071 0.393001 0.334396} H4 4076 -1 8 {} O 0.0 {0.432878 0.365982 0.338047} O6 4077 -1 1 {} H 0.0 {0.43791 0.362093 0.330681} H5 4078 -1 8 {} O 0.0 {0.442543 0.389225 0.342753} O7 4079 -1 1 {} H 0.0 {0.44244 0.3914 0.351981} H6 4080 -1 8 {} O 0.0 {0.596533 0.633345 0.361938} O1 4081 -1 14 {} Si 0.0 {0.610042 0.629155 0.356331} Si1 4082 -1 14 {} Si 0.0 {0.582077 0.637107 0.364896} Si2 4083 -1 8 {} O 0.0 {0.582203 0.649105 0.375562} O2 4084 -1 1 {} H 0.0 {0.575352 0.548631 0.332333} H1 4085 -1 8 {} O 0.0 {0.574215 0.625912 0.371707} O3 4086 -1 1 {} H 0.0 {0.572236 0.618272 0.365429} H2 4087 -1 8 {} O 0.0 {0.574736 0.640986 0.351361} O4 4088 -1 1 {} H 0.0 {0.564907 0.639738 0.352126} H3 4089 -1 8 {} O 0.0 {0.615343 0.640862 0.346961} O5 4090 -1 1 {} H 0.0 {0.609739 0.640514 0.339101} H4 4091 -1 8 {} O 0.0 {0.619222 0.623722 0.367328} O6 4092 -1 1 {} H 0.0 {0.614935 0.616708 0.3724} H5 4093 -1 8 {} O 0.0 {0.606907 0.616574 0.347598} O7 4094 -1 1 {} H 0.0 {0.614914 0.531167 0.476902} H6 4095 -1 8 {} O 0.0 {0.50939 0.625662 0.547805} O1 4096 -1 14 {} Si 0.0 {0.518087 0.637424 0.551503} Si1 4097 -1 14 {} Si 0.0 {0.500634 0.615879 0.539245} Si2 4098 -1 8 {} O 0.0 {0.494231 0.623566 0.52714} O2 4099 -1 1 {} H 0.0 {0.493323 0.632859 0.529243} H1 4100 -1 8 {} O 0.0 {0.487968 0.61012 0.545732} O3 4101 -1 1 {} H 0.0 {0.481337 0.672136 0.609806} H2 4102 -1 8 {} O 0.0 {0.510547 0.605455 0.532908} O4 4103 -1 1 {} H 0.0 {0.480568 0.616114 0.544751} H3 4104 -1 8 {} O 0.0 {0.531869 0.630252 0.556828} O5 4105 -1 1 {} H 0.0 {0.530483 0.620885 0.558895} H4 4106 -1 8 {} O 0.0 {0.519239 0.646411 0.538877} O6 4107 -1 1 {} H 0.0 {0.528369 0.573338 0.592304} H5 4108 -1 8 {} O 0.0 {0.512113 0.645168 0.563942} O7 4109 -1 1 {} H 0.0 {0.718513 0.528624 0.47536} H6 4110 -1 8 {} O 0.0 {0.462259 0.581827 0.301574} O1 4111 -1 14 {} Si 0.0 {0.472806 0.583742 0.290784} Si1 4112 -1 14 {} Si 0.0 {0.459315 0.576789 0.31571} Si2 4113 -1 8 {} O 0.0 {0.374425 0.539302 0.49808} O2 4114 -1 1 {} H 0.0 {0.371073 0.542361 0.489914} H1 4115 -1 8 {} O 0.0 {0.448066 0.565594 0.318528} O3 4116 -1 1 {} H 0.0 {0.621564 0.438413 0.342934} H2 4117 -1 8 {} O 0.0 {0.469488 0.442381 0.512703} O4 4118 -1 1 {} H 0.0 {0.477237 0.437791 0.507546} H3 4119 -1 8 {} O 0.0 {0.487167 0.579493 0.294548} O5 4120 -1 1 {} H 0.0 {0.491996 0.587823 0.2961} H4 4121 -1 8 {} O 0.0 {0.46828 0.574312 0.278799} O6 4122 -1 1 {} H 0.0 {0.458633 0.5754 0.277735} H5 4123 -1 8 {} O 0.0 {0.473034 0.598685 0.286404} O7 4124 -1 1 {} H 0.0 {0.466682 0.603488 0.291528} H6 4125 -1 8 {} O 0.0 {0.472162 0.552046 0.377286} O1 4126 -1 14 {} Si 0.0 {0.460498 0.558176 0.385476} Si1 4127 -1 14 {} Si 0.0 {0.484618 0.542643 0.37691} Si2 4128 -1 8 {} O 0.0 {0.415111 0.545069 0.367462} O2 4129 -1 1 {} H 0.0 {0.404203 0.603165 0.361418} H1 4130 -1 8 {} O 0.0 {0.490969 0.54251 0.362957} O3 4131 -1 1 {} H 0.0 {0.364145 0.565057 0.32538} H2 4132 -1 8 {} O 0.0 {0.479027 0.527964 0.378903} O4 4133 -1 1 {} H 0.0 {0.527279 0.518613 0.457164} H3 4134 -1 8 {} O 0.0 {0.446931 0.551669 0.380205} O5 4135 -1 1 {} H 0.0 {0.448696 0.544328 0.374772} H4 4136 -1 8 {} O 0.0 {0.460991 0.556421 0.401433} O6 4137 -1 1 {} H 0.0 {0.452189 0.559661 0.404101} H5 4138 -1 8 {} O 0.0 {0.459708 0.573336 0.38261} O7 4139 -1 1 {} H 0.0 {0.458616 0.574724 0.373121} H6 4140 -1 8 {} O 0.0 {0.620114 0.476452 0.588761} O1 4141 -1 14 {} Si 0.0 {0.627396 0.487739 0.579937} Si1 4142 -1 14 {} Si 0.0 {0.611132 0.472642 0.600667} Si2 4143 -1 8 {} O 0.0 {0.608924 0.457273 0.600962} O2 4144 -1 1 {} H 0.0 {0.599984 0.454502 0.598} H1 4145 -1 8 {} O 0.0 {0.596268 0.477095 0.602539} O3 4146 -1 1 {} H 0.0 {0.594312 0.478407 0.612104} H2 4147 -1 8 {} O 0.0 {0.618773 0.476312 0.613375} O4 4148 -1 1 {} H 0.0 {0.584817 0.421121 0.661441} H3 4149 -1 8 {} O 0.0 {0.632132 0.478926 0.567702} O5 4150 -1 1 {} H 0.0 {0.640891 0.482865 0.56425} H4 4151 -1 8 {} O 0.0 {0.616742 0.497151 0.574804} O6 4152 -1 1 {} H 0.0 {0.610828 0.492218 0.568279} H5 4153 -1 8 {} O 0.0 {0.639832 0.49574 0.585494} O7 4154 -1 1 {} H 0.0 {0.667834 0.50937 0.59626} H6 4155 -1 8 {} O 0.0 {0.328597 0.459652 0.450944} O1 4156 -1 14 {} Si 0.0 {0.336386 0.468274 0.441108} Si1 4157 -1 14 {} Si 0.0 {0.325026 0.449385 0.462257} Si2 4158 -1 8 {} O 0.0 {0.309464 0.44903 0.46459} O2 4159 -1 1 {} H 0.0 {0.308077 0.452142 0.474205} H1 4160 -1 8 {} O 0.0 {0.332298 0.446575 0.475811} O3 4161 -1 1 {} H 0.0 {0.310986 0.468665 0.493804} H2 4162 -1 8 {} O 0.0 {0.328005 0.435339 0.455913} O4 4163 -1 1 {} H 0.0 {0.298344 0.41625 0.480736} H3 4164 -1 8 {} O 0.0 {0.350839 0.464798 0.44454} O5 4165 -1 1 {} H 0.0 {0.312924 0.575428 0.383268} H4 4166 -1 8 {} O 0.0 {0.330372 0.466355 0.426935} O6 4167 -1 1 {} H 0.0 {0.321195 0.465258 0.426636} H5 4168 -1 8 {} O 0.0 {0.335384 0.483974 0.442011} O7 4169 -1 1 {} H 0.0 {0.298045 0.52627 0.436334} H6 4170 -1 8 {} O 0.0 {0.537754 0.415532 0.452799} O1 4171 -1 14 {} Si 0.0 {0.551553 0.410531 0.446715} Si1 4172 -1 14 {} Si 0.0 {0.575039 0.405853 0.465791} Si2 4173 -1 8 {} O 0.0 {0.567261 0.37693 0.633841} O2 4174 -1 1 {} H 0.0 {0.562529 0.38306 0.628542} H1 4175 -1 8 {} O 0.0 {0.583675 0.419081 0.466853} O3 4176 -1 1 {} H 0.0 {0.57964 0.425203 0.473493} H2 4177 -1 8 {} O 0.0 {0.57102 0.402065 0.480676} O4 4178 -1 1 {} H 0.0 {0.566105 0.393557 0.480798} H3 4179 -1 8 {} O 0.0 {0.613844 0.552806 0.519261} O5 4180 -1 1 {} H 0.0 {0.617729 0.555502 0.527571} H4 4181 -1 8 {} O 0.0 {0.556047 0.421817 0.437126} O6 4182 -1 1 {} H 0.0 {0.552819 0.421069 0.427791} H5 4183 -1 8 {} O 0.0 {0.550466 0.396706 0.440074} O7 4184 -1 1 {} H 0.0 {0.549687 0.397215 0.430064} H6 4185 -1 8 {} O 0.0 {0.422457 0.309123 0.472546} O1 4186 -1 14 {} Si 0.0 {0.41672 0.313729 0.45869} Si1 4187 -1 14 {} Si 0.0 {0.430285 0.30027 0.482227} Si2 4188 -1 8 {} O 0.0 {0.439759 0.309945 0.490264} O2 4189 -1 1 {} H 0.0 {0.443251 0.317037 0.484664} H1 4190 -1 8 {} O 0.0 {0.438815 0.288976 0.475459} O3 4191 -1 1 {} H 0.0 {0.371101 0.404244 0.367096} H2 4192 -1 8 {} O 0.0 {0.420231 0.293893 0.493403} O4 4193 -1 1 {} H 0.0 {0.412594 0.299558 0.494573} H3 4194 -1 8 {} O 0.0 {0.418045 0.304993 0.44538} O5 4195 -1 1 {} H 0.0 {0.448582 0.290277 0.477915} H4 4196 -1 8 {} O 0.0 {0.376813 0.389388 0.611102} O6 4197 -1 1 {} H 0.0 {0.363306 0.367156 0.407263} H5 4198 -1 8 {} O 0.0 {0.424492 0.326746 0.455083} O7 4199 -1 1 {} H 0.0 {0.419726 0.333647 0.460182} H6 4200 -1 8 {} O 0.0 {0.502655 0.551449 0.618544} O1 4201 -1 14 {} Si 0.0 {0.500409 0.558824 0.6332} Si1 4202 -1 14 {} Si 0.0 {0.502691 0.540723 0.606962} Si2 4203 -1 8 {} O 0.0 {0.493515 0.529062 0.612306} O2 4204 -1 1 {} H 0.0 {0.477671 0.572015 0.542557} H1 4205 -1 8 {} O 0.0 {0.51878 0.537643 0.607084} O3 4206 -1 1 {} H 0.0 {0.525235 0.545175 0.607216} H2 4207 -1 8 {} O 0.0 {0.495426 0.547295 0.594904} O4 4208 -1 1 {} H 0.0 {0.48621 0.545997 0.594335} H3 4209 -1 8 {} O 0.0 {0.5014 0.548056 0.644652} O5 4210 -1 1 {} H 0.0 {0.492689 0.547025 0.649526} H4 4211 -1 8 {} O 0.0 {0.510581 0.569942 0.638743} O6 4212 -1 1 {} H 0.0 {0.510016 0.570509 0.648888} H5 4213 -1 8 {} O 0.0 {0.485576 0.563743 0.633671} O7 4214 -1 1 {} H 0.0 {0.478935 0.557857 0.629025} H6 4215 -1 8 {} O 0.0 {0.457849 0.639536 0.306428} O1 4216 -1 14 {} Si 0.0 {0.452484 0.62548 0.312177} Si1 4217 -1 14 {} Si 0.0 {0.516906 0.672584 0.391219} Si2 4218 -1 8 {} O 0.0 {0.522791 0.675406 0.405696} O2 4219 -1 1 {} H 0.0 {0.532321 0.67827 0.404666} H1 4220 -1 8 {} O 0.0 {0.507949 0.68501 0.385849} O3 4221 -1 1 {} H 0.0 {0.50081 0.687194 0.391704} H2 4222 -1 8 {} O 0.0 {0.506044 0.660996 0.391614} O4 4223 -1 1 {} H 0.0 {0.5035 0.659384 0.400873} H3 4224 -1 8 {} O 0.0 {0.461657 0.613737 0.3063} O5 4225 -1 1 {} H 0.0 {0.590876 0.52233 0.31394} H4 4226 -1 8 {} O 0.0 {0.454612 0.624729 0.327351} O6 4227 -1 1 {} H 0.0 {0.448826 0.630916 0.332584} H5 4228 -1 8 {} O 0.0 {0.436924 0.622206 0.309635} O7 4229 -1 1 {} H 0.0 {0.429968 0.62858 0.31114} H6 4230 -1 8 {} O 0.0 {0.494352 0.536372 0.338768} O1 4231 -1 14 {} Si 0.0 {0.501017 0.525132 0.331092} Si1 4232 -1 14 {} Si 0.0 {0.494694 0.547966 0.349189} Si2 4233 -1 8 {} O 0.0 {0.484131 0.558559 0.344689} O2 4234 -1 1 {} H 0.0 {0.41881 0.614122 0.492136} H1 4235 -1 8 {} O 0.0 {0.508845 0.555096 0.34641} O3 4236 -1 1 {} H 0.0 {0.694954 0.578503 0.535495} H2 4237 -1 8 {} O 0.0 {0.516875 0.566034 0.449344} O4 4238 -1 1 {} H 0.0 {0.523754 0.573263 0.448777} H3 4239 -1 8 {} O 0.0 {0.503667 0.528251 0.316019} O5 4240 -1 1 {} H 0.0 {0.506653 0.537891 0.314401} H4 4241 -1 8 {} O 0.0 {0.515792 0.523882 0.335734} O6 4242 -1 1 {} H 0.0 {0.519747 0.514393 0.333886} H5 4243 -1 8 {} O 0.0 {0.493397 0.511178 0.331727} O7 4244 -1 1 {} H 0.0 {0.499307 0.50435 0.328474} H6 4245 -1 8 {} O 0.0 {0.421913 0.630584 0.39259} O1 4246 -1 14 {} Si 0.0 {0.436442 0.632205 0.385491} Si1 4247 -1 14 {} Si 0.0 {0.411213 0.636041 0.402655} Si2 4248 -1 8 {} O 0.0 {0.415707 0.632707 0.417397} O2 4249 -1 1 {} H 0.0 {0.357209 0.655902 0.563035} H1 4250 -1 8 {} O 0.0 {0.39786 0.6289 0.400069} O3 4251 -1 1 {} H 0.0 {0.398878 0.621204 0.393899} H2 4252 -1 8 {} O 0.0 {0.410363 0.652131 0.40093} O4 4253 -1 1 {} H 0.0 {0.40221 0.654972 0.405458} H3 4254 -1 8 {} O 0.0 {0.442131 0.618981 0.379451} O5 4255 -1 1 {} H 0.0 {0.384068 0.654054 0.453147} H4 4256 -1 8 {} O 0.0 {0.434785 0.639884 0.372159} O6 4257 -1 1 {} H 0.0 {0.433498 0.633894 0.364573} H5 4258 -1 8 {} O 0.0 {0.447936 0.639071 0.394273} O7 4259 -1 1 {} H 0.0 {0.456499 0.637307 0.389656} H6 4260 -1 8 {} O 0.0 {0.540256 0.587771 0.463553} O1 4261 -1 14 {} Si 0.0 {0.53128 0.599504 0.459095} Si1 4262 -1 14 {} Si 0.0 {0.553922 0.581116 0.467263} Si2 4263 -1 8 {} O 0.0 {0.565676 0.592083 0.467937} O2 4264 -1 1 {} H 0.0 {0.567201 0.595608 0.459218} H1 4265 -1 8 {} O 0.0 {0.560665 0.57215 0.456589} O3 4266 -1 1 {} H 0.0 {0.561837 0.57764 0.448592} H2 4267 -1 8 {} O 0.0 {0.551476 0.573422 0.480527} O4 4268 -1 1 {} H 0.0 {0.573855 0.611766 0.405929} H3 4269 -1 8 {} O 0.0 {0.538487 0.612528 0.455516} O5 4270 -1 1 {} H 0.0 {0.545733 0.614447 0.461578} H4 4271 -1 8 {} O 0.0 {0.523007 0.594551 0.447052} O6 4272 -1 1 {} H 0.0 {0.525364 0.599549 0.438907} H5 4273 -1 8 {} O 0.0 {0.522386 0.604208 0.470658} O7 4274 -1 1 {} H 0.0 {0.512762 0.601813 0.468153} H6 4275 -1 8 {} O 0.0 {0.668279 0.421694 0.503993} O1 4276 -1 14 {} Si 0.0 {0.661894 0.407487 0.507153} Si1 4277 -1 14 {} Si 0.0 {0.672816 0.436451 0.505541} Si2 4278 -1 8 {} O 0.0 {0.664781 0.446732 0.513649} O2 4279 -1 1 {} H 0.0 {0.655633 0.448009 0.510659} H1 4280 -1 8 {} O 0.0 {0.675008 0.442198 0.490906} O3 4281 -1 1 {} H 0.0 {0.669647 0.437905 0.484013} H2 4282 -1 8 {} O 0.0 {0.686961 0.436505 0.512118} O4 4283 -1 1 {} H 0.0 {0.691836 0.444499 0.510672} H3 4284 -1 8 {} O 0.0 {0.656583 0.40061 0.49332} O5 4285 -1 1 {} H 0.0 {0.642767 0.322091 0.51057} H4 4286 -1 8 {} O 0.0 {0.675304 0.399474 0.512381} O6 4287 -1 1 {} H 0.0 {0.610211 0.421946 0.560516} H5 4288 -1 8 {} O 0.0 {0.651184 0.403833 0.517862} O7 4289 -1 1 {} H 0.0 {0.572657 0.258682 0.442553} H6 4290 -1 8 {} O 0.0 {0.504795 0.624691 0.298319} O1 4291 -1 14 {} Si 0.0 {0.496932 0.637035 0.293293} Si1 4292 -1 14 {} Si 0.0 {0.515494 0.613246 0.297833} Si2 4293 -1 8 {} O 0.0 {0.523245 0.611926 0.311797} O2 4294 -1 1 {} H 0.0 {0.517244 0.61579 0.318542} H1 4295 -1 8 {} O 0.0 {0.524325 0.616689 0.284863} O3 4296 -1 1 {} H 0.0 {0.522237 0.625384 0.282432} H2 4297 -1 8 {} O 0.0 {0.508511 0.59921 0.296433} O4 4298 -1 1 {} H 0.0 {0.513149 0.591977 0.300024} H3 4299 -1 8 {} O 0.0 {0.497101 0.649093 0.304056} O5 4300 -1 1 {} H 0.0 {0.488155 0.649288 0.30859} H4 4301 -1 8 {} O 0.0 {0.503891 0.644378 0.281722} O6 4302 -1 1 {} H 0.0 {0.500922 0.653249 0.28134} H5 4303 -1 8 {} O 0.0 {0.482153 0.633473 0.2907} O7 4304 -1 1 {} H 0.0 {0.315412 0.671327 0.447013} H6 4305 -1 8 {} O 0.0 {0.57801 0.392575 0.32088} O1 4306 -1 14 {} Si 0.0 {0.590563 0.387807 0.312703} Si1 4307 -1 14 {} Si 0.0 {0.563379 0.393702 0.325436} Si2 4308 -1 8 {} O 0.0 {0.553024 0.398565 0.315164} O2 4309 -1 1 {} H 0.0 {0.543316 0.396697 0.317014} H1 4310 -1 8 {} O 0.0 {0.560086 0.402749 0.33786} O3 4311 -1 1 {} H 0.0 {0.551225 0.407177 0.335943} H2 4312 -1 8 {} O 0.0 {0.560547 0.378882 0.329798} O4 4313 -1 1 {} H 0.0 {0.561626 0.377246 0.338892} H3 4314 -1 8 {} O 0.0 {0.597804 0.376947 0.321532} O5 4315 -1 1 {} H 0.0 {0.40707 0.553759 0.458471} H4 4316 -1 8 {} O 0.0 {0.588323 0.380254 0.299484} O6 4317 -1 1 {} H 0.0 {0.591992 0.384203 0.291898} H5 4318 -1 8 {} O 0.0 {0.598016 0.400529 0.309077} O7 4319 -1 1 {} H 0.0 {0.491563 0.423299 0.336764} H6 4320 -1 8 {} O 0.0 {0.387207 0.513935 0.456965} O1 4321 -1 14 {} Si 0.0 {0.379946 0.52722 0.453966} Si1 4322 -1 14 {} Si 0.0 {0.397882 0.50261 0.454974} Si2 4323 -1 8 {} O 0.0 {0.406064 0.508491 0.443302} O2 4324 -1 1 {} H 0.0 {0.415394 0.507156 0.44533} H1 4325 -1 8 {} O 0.0 {0.391303 0.489751 0.450643} O3 4326 -1 1 {} H 0.0 {0.39427 0.482053 0.455767} H2 4327 -1 8 {} O 0.0 {0.40638 0.501143 0.467758} O4 4328 -1 1 {} H 0.0 {0.403147 0.504398 0.475997} H3 4329 -1 8 {} O 0.0 {0.386369 0.539261 0.46201} O5 4330 -1 1 {} H 0.0 {0.37899 0.544752 0.464934} H4 4331 -1 8 {} O 0.0 {0.379023 0.533706 0.439608} O6 4332 -1 1 {} H 0.0 {0.467476 0.598949 0.510288} H5 4333 -1 8 {} O 0.0 {0.365017 0.525389 0.458223} O7 4334 -1 1 {} H 0.0 {0.359642 0.523035 0.450146} H6 4335 -1 8 {} O 0.0 {0.563076 0.319971 0.504385} O1 4336 -1 14 {} Si 0.0 {0.563746 0.309249 0.515361} Si1 4337 -1 14 {} Si 0.0 {0.584081 0.316976 0.474453} Si2 4338 -1 8 {} O 0.0 {0.584309 0.310968 0.459631} O2 4339 -1 1 {} H 0.0 {0.577377 0.315384 0.454721} H1 4340 -1 8 {} O 0.0 {0.594692 0.313675 0.485355} O3 4341 -1 1 {} H 0.0 {0.602001 0.319321 0.483971} H2 4342 -1 8 {} O 0.0 {0.583384 0.333015 0.472995} O4 4343 -1 1 {} H 0.0 {0.474389 0.389214 0.506542} H3 4344 -1 8 {} O 0.0 {0.576807 0.301105 0.512403} O5 4345 -1 1 {} H 0.0 {0.5764 0.299353 0.502417} H4 4346 -1 8 {} O 0.0 {0.562511 0.31129 0.530836} O6 4347 -1 1 {} H 0.0 {0.555075 0.305507 0.533603} H5 4348 -1 8 {} O 0.0 {0.552803 0.299147 0.511399} O7 4349 -1 1 {} H 0.0 {0.547364 0.302282 0.503325} H6 4350 -1 8 {} O 0.0 {0.635352 0.362047 0.403539} O1 4351 -1 14 {} Si 0.0 {0.643247 0.375061 0.399617} Si1 4352 -1 14 {} Si 0.0 {0.617695 0.366639 0.412639} Si2 4353 -1 8 {} O 0.0 {0.615572 0.378537 0.423413} O2 4354 -1 1 {} H 0.0 {0.608401 0.341824 0.442696} H1 4355 -1 8 {} O 0.0 {0.283209 0.628578 0.461249} O3 4356 -1 1 {} H 0.0 {0.352692 0.622944 0.590806} H2 4357 -1 8 {} O 0.0 {0.644009 0.381601 0.385258} O4 4358 -1 1 {} H 0.0 {0.584859 0.488334 0.425616} H3 4359 -1 8 {} O 0.0 {0.621484 0.376239 0.366403} O5 4360 -1 1 {} H 0.0 {0.618986 0.385723 0.365647} H4 4361 -1 8 {} O 0.0 {0.345052 0.616898 0.590712} O6 4362 -1 1 {} H 0.0 {0.349064 0.608604 0.591726} H5 4363 -1 8 {} O 0.0 {0.629866 0.381472 0.403303} O7 4364 -1 1 {} H 0.0 {0.540711 0.391858 0.387156} H6 4365 -1 8 {} O 0.0 {0.321746 0.441174 0.341493} O1 4366 -1 14 {} Si 0.0 {0.329789 0.427944 0.340634} Si1 4367 -1 14 {} Si 0.0 {0.312535 0.452092 0.335036} Si2 4368 -1 8 {} O 0.0 {0.320415 0.465341 0.335227} O2 4369 -1 1 {} H 0.0 {0.328526 0.463559 0.339491} H1 4370 -1 8 {} O 0.0 {0.301661 0.454651 0.345648} O3 4371 -1 1 {} H 0.0 {0.303986 0.449732 0.353715} H2 4372 -1 8 {} O 0.0 {0.307583 0.450003 0.320613} O4 4373 -1 1 {} H 0.0 {0.29829 0.452033 0.319422} H3 4374 -1 8 {} O 0.0 {0.339225 0.428148 0.328198} O5 4375 -1 1 {} H 0.0 {0.337723 0.420198 0.323072} H4 4376 -1 8 {} O 0.0 {0.339791 0.423189 0.351752} O6 4377 -1 1 {} H 0.0 {0.344768 0.556809 0.348676} H5 4378 -1 8 {} O 0.0 {0.318268 0.417712 0.337318} O7 4379 -1 1 {} H 0.0 {0.270095 0.469051 0.41806} H6 4380 -1 8 {} O 0.0 {0.564551 0.589702 0.333822} O1 4381 -1 14 {} Si 0.0 {0.578122 0.59096 0.340819} Si1 4382 -1 14 {} Si 0.0 {0.551687 0.593116 0.326037} Si2 4383 -1 8 {} O 0.0 {0.552225 0.592004 0.310652} O2 4384 -1 1 {} H 0.0 {0.554856 0.583344 0.308045} H1 4385 -1 8 {} O 0.0 {0.545506 0.606854 0.329977} O3 4386 -1 1 {} H 0.0 {0.544635 0.408614 0.264284} H2 4387 -1 8 {} O 0.0 {0.540484 0.584053 0.331798} O4 4388 -1 1 {} H 0.0 {0.54172 0.582526 0.341132} H3 4389 -1 8 {} O 0.0 {0.586644 0.600582 0.331938} O5 4390 -1 1 {} H 0.0 {0.591897 0.606198 0.337256} H4 4391 -1 8 {} O 0.0 {0.57796 0.60063 0.353676} O6 4392 -1 1 {} H 0.0 {0.588446 0.645336 0.404095} H5 4393 -1 8 {} O 0.0 {0.585377 0.577327 0.343107} O7 4394 -1 1 {} H 0.0 {0.45987 0.60551 0.310617} H6 4395 -1 8 {} O 0.0 {0.465801 0.326961 0.433373} O1 4396 -1 14 {} Si 0.0 {0.458178 0.339644 0.438159} Si1 4397 -1 14 {} Si 0.0 {0.466432 0.313795 0.424745} Si2 4398 -1 8 {} O 0.0 {0.481246 0.309637 0.424493} O2 4399 -1 1 {} H 0.0 {0.511242 0.316756 0.527964} H1 4400 -1 8 {} O 0.0 {0.461394 0.316178 0.409628} O3 4401 -1 1 {} H 0.0 {0.451724 0.314571 0.409674} H2 4402 -1 8 {} O 0.0 {0.458403 0.303351 0.433978} O4 4403 -1 1 {} H 0.0 {0.29555 0.49138 0.547843} H3 4404 -1 8 {} O 0.0 {0.463894 0.352471 0.431494} O5 4405 -1 1 {} H 0.0 {0.463188 0.360184 0.43727} H4 4406 -1 8 {} O 0.0 {0.442688 0.339266 0.434547} O6 4407 -1 1 {} H 0.0 {0.437446 0.3357 0.441915} H5 4408 -1 8 {} O 0.0 {0.457502 0.341591 0.453518} O7 4409 -1 1 {} H 0.0 {0.426818 0.300957 0.445201} H6 4410 -1 8 {} O 0.0 {0.383667 0.517077 0.558468} O1 4411 -1 14 {} Si 0.0 {0.397186 0.515747 0.566916} Si1 4412 -1 14 {} Si 0.0 {0.369185 0.521026 0.554767} Si2 4413 -1 8 {} O 0.0 {0.359093 0.509552 0.557792} O2 4414 -1 1 {} H 0.0 {0.270948 0.485555 0.406052} H1 4415 -1 8 {} O 0.0 {0.370106 0.525128 0.539299} O3 4416 -1 1 {} H 0.0 {0.378054 0.530845 0.537807} H2 4417 -1 8 {} O 0.0 {0.364706 0.534018 0.5624} O4 4418 -1 1 {} H 0.0 {0.360204 0.540147 0.556852} H3 4419 -1 8 {} O 0.0 {0.409076 0.521492 0.558575} O5 4420 -1 1 {} H 0.0 {0.395439 0.544274 0.524451} H4 4421 -1 8 {} O 0.0 {0.397616 0.522195 0.580416} O6 4422 -1 1 {} H 0.0 {0.405565 0.524328 0.586357} H5 4423 -1 8 {} O 0.0 {0.402107 0.501054 0.568562} O7 4424 -1 1 {} H 0.0 {0.408471 0.498901 0.576004} H6 4425 -1 8 {} O 0.0 {0.388567 0.58441 0.371836} O1 4426 -1 14 {} Si 0.0 {0.384905 0.56908 0.370697} Si1 4427 -1 14 {} Si 0.0 {0.388086 0.599041 0.375603} Si2 4428 -1 8 {} O 0.0 {0.39604 0.602555 0.388292} O2 4429 -1 1 {} H 0.0 {0.403629 0.596198 0.389945} H1 4430 -1 8 {} O 0.0 {0.37355 0.604262 0.376064} O3 4431 -1 1 {} H 0.0 {0.299643 0.648112 0.513819} H2 4432 -1 8 {} O 0.0 {0.395327 0.607341 0.364105} O4 4433 -1 1 {} H 0.0 {0.473564 0.437512 0.360868} H3 4434 -1 8 {} O 0.0 {0.376073 0.569767 0.357711} O5 4435 -1 1 {} H 0.0 {0.377178 0.578128 0.353375} H4 4436 -1 8 {} O 0.0 {0.394396 0.556833 0.368379} O6 4437 -1 1 {} H 0.0 {0.41475 0.550849 0.375738} H5 4438 -1 8 {} O 0.0 {0.37232 0.565872 0.381095} O7 4439 -1 1 {} H 0.0 {0.372539 0.555694 0.382218} H6 4440 -1 8 {} O 0.0 {0.468705 0.445626 0.287029} O1 4441 -1 14 {} Si 0.0 {0.470082 0.459029 0.279946} Si1 4442 -1 14 {} Si 0.0 {0.469826 0.433576 0.296518} Si2 4443 -1 8 {} O 0.0 {0.472079 0.420788 0.288798} O2 4444 -1 1 {} H 0.0 {0.495618 0.458021 0.256133} H1 4445 -1 8 {} O 0.0 {0.455581 0.432218 0.303327} O3 4446 -1 1 {} H 0.0 {0.469811 0.472667 0.297383} H2 4447 -1 8 {} O 0.0 {0.482441 0.432924 0.305343} O4 4448 -1 1 {} H 0.0 {0.415331 0.523263 0.341638} H3 4449 -1 8 {} O 0.0 {0.476244 0.469632 0.290206} O5 4450 -1 1 {} H 0.0 {0.356165 0.608773 0.367983} H4 4451 -1 8 {} O 0.0 {0.478419 0.458175 0.266998} O6 4452 -1 1 {} H 0.0 {0.475003 0.46501 0.260998} H5 4453 -1 8 {} O 0.0 {0.455667 0.463454 0.27685} O7 4454 -1 1 {} H 0.0 {0.46031 0.442042 0.439138} H6 4455 -1 8 {} O 0.0 {0.665534 0.42476 0.462681} O1 4456 -1 14 {} Si 0.0 {0.651322 0.431985 0.461161} Si1 4457 -1 14 {} Si 0.0 {0.675481 0.413286 0.459944} Si2 4458 -1 8 {} O 0.0 {0.689387 0.416678 0.466589} O2 4459 -1 1 {} H 0.0 {0.690718 0.42652 0.468099} H1 4460 -1 8 {} O 0.0 {0.67643 0.412021 0.444221} O3 4461 -1 1 {} H 0.0 {0.678982 0.420948 0.44073} H2 4462 -1 8 {} O 0.0 {0.670998 0.399991 0.467338} O4 4463 -1 1 {} H 0.0 {0.622916 0.384702 0.421225} H3 4464 -1 8 {} O 0.0 {0.365653 0.497952 0.439191} O5 4465 -1 1 {} H 0.0 {0.360616 0.490101 0.441444} H4 4466 -1 8 {} O 0.0 {0.649219 0.435647 0.475759} O6 4467 -1 1 {} H 0.0 {0.699042 0.515605 0.511021} H5 4468 -1 8 {} O 0.0 {0.650057 0.445467 0.453035} O7 4469 -1 1 {} H 0.0 {0.705372 0.459887 0.449434} H6 4470 -1 8 {} O 0.0 {0.434656 0.422431 0.451872} O1 4471 -1 14 {} Si 0.0 {0.449243 0.425138 0.446937} Si1 4472 -1 14 {} Si 0.0 {0.419554 0.422042 0.454901} Si2 4473 -1 8 {} O 0.0 {0.413414 0.434808 0.461647} O2 4474 -1 1 {} H 0.0 {0.405516 0.432595 0.467474} H1 4475 -1 8 {} O 0.0 {0.414878 0.410066 0.464017} O3 4476 -1 1 {} H 0.0 {0.480169 0.390113 0.296307} H2 4477 -1 8 {} O 0.0 {0.411347 0.421157 0.441228} O4 4478 -1 1 {} H 0.0 {0.413297 0.428421 0.435886} H3 4479 -1 8 {} O 0.0 {0.461025 0.423567 0.457129} O5 4480 -1 1 {} H 0.0 {0.466632 0.431566 0.456996} H4 4481 -1 8 {} O 0.0 {0.450713 0.415765 0.434752} O6 4482 -1 1 {} H 0.0 {0.442286 0.410662 0.433033} H5 4483 -1 8 {} O 0.0 {0.451154 0.439017 0.44102} O7 4484 -1 1 {} H 0.0 {0.369275 0.445245 0.371222} H6 4485 -1 8 {} O 0.0 {0.650668 0.348392 0.506935} O1 4486 -1 14 {} Si 0.0 {0.644973 0.340675 0.519289} Si1 4487 -1 14 {} Si 0.0 {0.651216 0.350818 0.491306} Si2 4488 -1 8 {} O 0.0 {0.644432 0.33952 0.483441} O2 4489 -1 1 {} H 0.0 {0.561822 0.509646 0.279763} H1 4490 -1 8 {} O 0.0 {0.664905 0.354085 0.48411} O3 4491 -1 1 {} H 0.0 {0.662973 0.356775 0.475272} H2 4492 -1 8 {} O 0.0 {0.643988 0.364196 0.489076} O4 4493 -1 1 {} H 0.0 {0.509137 0.345752 0.365554} H3 4494 -1 8 {} O 0.0 {0.654638 0.345173 0.531163} O5 4495 -1 1 {} H 0.0 {0.662737 0.349769 0.52789} H4 4496 -1 8 {} O 0.0 {0.630493 0.346801 0.523097} O6 4497 -1 1 {} H 0.0 {0.630325 0.356692 0.522742} H5 4498 -1 8 {} O 0.0 {0.645427 0.325433 0.518922} O7 4499 -1 1 {} H 0.0 {0.519694 0.23642 0.501278} H6 4500 -1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {100 100 100 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{100 0 0} {0 100 0} {0 0 100}} {{0.01 0 0} {0 0.01 0} {0 0 0.01}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 3 2 0 0 4 3 0 0 5 2 0 0 6 5 0 0 7 2 0 0 8 7 0 0 9 1 0 0 10 9 0 0 11 1 0 0 12 11 0 0 13 1 0 0 14 13 0 0 16 15 0 0 17 15 0 0 18 17 0 0 19 18 0 0 20 17 0 0 21 20 0 0 22 17 0 0 23 22 0 0 24 16 0 0 25 24 0 0 26 16 0 0 27 26 0 0 28 16 0 0 29 28 0 0 31 30 0 0 32 30 0 0 33 32 0 0 34 33 0 0 35 32 0 0 36 35 0 0 37 32 0 0 38 37 0 0 39 31 0 0 40 39 0 0 41 31 0 0 42 41 0 0 43 31 0 0 44 43 0 0 46 45 0 0 47 45 0 0 48 47 0 0 49 48 0 0 50 47 0 0 51 50 0 0 52 47 0 0 53 52 0 0 54 46 0 0 55 54 0 0 56 46 0 0 57 56 0 0 58 46 0 0 59 58 0 0 61 60 0 0 62 60 0 0 63 62 0 0 64 63 0 0 65 62 0 0 66 65 0 0 67 62 0 0 68 67 0 0 69 61 0 0 70 69 0 0 71 61 0 0 72 71 0 0 73 61 0 0 74 73 0 0 76 75 0 0 77 75 0 0 78 77 0 0 79 78 0 0 80 77 0 0 81 80 0 0 82 77 0 0 83 82 0 0 84 76 0 0 85 84 0 0 86 76 0 0 87 86 0 0 88 76 0 0 89 88 0 0 91 90 0 0 92 90 0 0 93 92 0 0 94 93 0 0 95 92 0 0 96 95 0 0 97 92 0 0 98 97 0 0 99 91 0 0 100 99 0 0 101 91 0 0 102 101 0 0 103 91 0 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} Namespace { ::chemistry::PeriodicTable { scalar ::chemistry::PeriodicTable::gProperties {symbol {atomic radius} {covalent radius} {atomic number} {atomic mass} {discovery date} {electrical conductivity} {thermal conductivity} {specific heat} electronegativity {boiling point} {melting point} density {atomic volume} {lattice spacing a} structure {c/a, alpha, b/a} {coherent scattering length} {incoherent X-section} {absorption @1.8A} name state valency {ldf spin-polarization energy} {atomic heat of formation at 0 K} {Pettifor index} {alternate radius}} scalar ::chemistry::PeriodicTable::gSymbols {X H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og } scalar ::chemistry::PeriodicTable::gType {{} continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous discrete {} continuous continuous continuous {} discrete discrete continuous continuous discrete continuous} scalar ::chemistry::PeriodicTable::gUnits {{} Ang Ang {} amu {} {10^6 / (cm * ohm)} {W /(cm * K)} {[J/g/K]} {} K\] K {} {} Ang {} {} {1.0E-12 cm} barn barn {} {} {} kJ/mol kJ/mol {} Ang} scalar ::chemistry::PeriodicTable::gNElements 118 scalar ::chemistry::PeriodicTable::gElementData {{X --- --- 0 0.0 ---- --- ---- --- --- --- --- --- --- --- --- --- --- --- --- Dummy --- --- --- --- 999 1.10} {H 0.79 0.32 1 1.00794 1766 --- 0.001815 14.304 2.20 20.268 14.025 0.0899 14.4 3.75 HEX --- -0.374 79.9 0.3326 Hydrogen gas 1 86.64 216.035 103 0.20} {He 0.49 0.93 2 4.002602 1895 --- 0.00152 5.193 --- 4.215 0.95 0.1787 0.0 3.57 HEX --- 0.326 0.0 0.00747 Helium gas 0 0.00 0 1 1.00} {Li 2.05 1.23 3 6.941 1817 0.108 0.847 3.6 0.98 1615 453.7 0.53 13.10 3.49 BCC --- -0.190 0.91 70.5 Lithium solid 1 23.00 157.735 12 0.90} {Be 1.40 0.90 4 9.012182 1798 0.313 2.00 1.82 1.57 2745 1560.0 1.85 5.0 2.29 HEX 1.567 0.779 0.005 0.0076 Beryllium solid 2 0.00 319.753 77 0.80} {B 1.17 0.82 5 10.811 1828 1.0e-12 0.270 1.02 2.04 4275 2300.0 2.34 4.6 8.73 TET 0.576 0.530 1.7 767.0 Boron solid 3 24.72 559.906 86 0.65} {C 0.91 0.77 6 12.011 ???? 0.00061 1.29 0.71 2.55 4470.0 4100.0 2.62 4.58 3.57 DIA --- 0.6648 0.001 0.0035 Carbon solid 4 116.26 711.194 95 0.70} {N 0.75 0.75 7 14.00674 1772 --- 0.0002598 1.04 3.04 77.35 63.14 1.251 17.3 4.039 HEX 1.051 0.936 0.49 1.90 Nitrogen gas 3 293.49 470.818 100 0.80} {O 0.65 0.73 8 15.9994 1774 --- 0.0002674 0.92 3.44 90.18 50.35 1.429 14.0 6.83 CUB --- 0.5805 0.000 0.00019 Oxygen gas 2 142.65 246.795 101 0.90} {F 0.57 0.72 9 18.9984032 1886 --- 0.000279 0.82 3.98 84.95 53.48 1.696 17.1 --- MCL --- 0.5654 0.0008 0.0096 Fluorine gas 1 38.19 77.2745 102 0.95} {Ne 0.51 0.71 10 20.1797 1898 --- 0.000493 0.904 --- 27.096 24.553 0.901 16.7 4.43 FCC --- 0.4547 0.008 0.039 Neon gas 0 0.00 0 2 1.40} {Na 2.23 1.54 11 22.989768 1807 0.139 1.41 1.23 0.93 1156 371.0 0.97 23.7 4.23 BCC --- 0.363 1.62 0.530 Sodium solid 1 19.86 107.763 11 1.10} {Mg 1.72 1.36 12 24.3050 1808 0.226 1.56 1.02 1.31 1363 922 1.74 13.97 3.21 HEX 1.624 0.5375 0.077 0.063 Magnesium solid 2 0.00 145.901 73 0.95} {Al 1.82 1.18 13 26.981539 1825 0.377 2.37 0.90 1.61 2793 933.25 2.70 10.0 4.05 FCC --- 0.3449 0.0085 0.231 Aluminum solid 3 14.66 327.621 80 0.85} {Si 1.46 1.11 14 28.0855 1823 2.52e-12 1.48 0.71 1.90 3540.0 1685 2.33 12.1 5.43 DIA --- 0.4149 0.015 0.171 Silicon solid 4 64.45 445.667 85 0.80} {P 1.23 1.06 15 30.97362 1669 1.0e-17 0.00235 0.77 2.19 550.0 317.30 1.82 17.0 7.17 CUB --- 0.513 0.006 0.172 Phosphorus solid 3 156.41 315.663 90 0.90} {S 1.09 1.02 16 32.066 ???? 0.5e-23 0.00269 0.71 2.58 717.75 388.36 2.07 15.5 10.47 ORC 2.339/1.229 0.2847 0.007 0.53 Sulfur solid 2 73.16 274.925 94 1.25} {Cl 0.97 0.99 17 35.4527 1774 --- 0.000089 0.48 3.16 239.1 172.16 3.17 22.7 6.24 ORC 1.324/0.718 0.95792 5.2 33.5 Chlorine gas 1 19.12 119.6195 99 1.35} {Ar 0.88 0.98 18 39.948 1894 --- 0.0001772 0.520 --- 87.30 83.81 1.784 28.5 5.26 FCC --- 0.1909 0.22 0.675 Argon gas 0 0.00 0 3 1.70} {K 2.77 2.03 19 39.0983 1807 0.139 1 0.75 0.82 1032 336.35 0.86 45.46 5.23 BCC --- 0.371 0.25 2.1 Potassium solid 1 14.29 89.891 10 1.50} {Ca 2.23 1.91 20 40.078 1808 0.298 2.00 0.63 1.00 1757 1112 1.55 29.9 5.58 FCC --- 0.490 0.03 0.43 Calcium solid 2 0.00 177.339 16 1.30} {Sc 2.09 1.62 21 44.955910 1879 0.0177 0.158 0.6 1 3104 1812 3.0 15.0 3.31 HEX 1.594 1.229 4.5 27.2 Scandium solid 3 15.68 376.22 19 1.05} {Ti 2.00 1.45 22 47.88 1791 0.0234 0.219 0.52 1.54 3562 1943 4.50 10.64 2.95 HEX 1.588 -0.330 2.67 6.09 Titanium solid 4 68.91 470.285 51 1.00} {V 1.92 1.34 23 50.9415 1830 0.0489 0.307 0.49 1.63 3682 2175 5.8 8.78 3.02 BCC --- -0.0382 5.187 5.08 Vanadium solid 5 166.19 514.84 54 0.98} {Cr 1.85 1.18 24 51.9961 1797 0.0774 0.937 0.45 1.66 2945 2130.0 7.19 7.23 2.88 BCC --- 0.3635 1.83 3.07 Chromium solid 3 493.88 394.86 57 0.97} {Mn 1.79 1.17 25 54.93085 1774 0.00695 0.0782 0.48 1.55 2335 1517 7.43 1.39 8.89 FCC --- -0.373 0.40 13.3 Manganese solid 2 511.24 279.8 60 0.96} {Fe 1.72 1.17 26 55.847 ???? 0.0993 0.802 0.44 1.83 3135 1809 7.86 7.1 2.87 BCC --- 0.954 0.39 2.56 Iron solid 2 341.93 411.405 61 0.95} {Co 1.67 1.16 27 58.93320 1737 0.172 1.00 0.42 1.88 3201 1768 8.90 6.7 2.51 HEX 1.622 0.250 4.8 37.18 Cobalt solid 2 199.63 423.41 64 0.94} {Ni 1.62 1.15 28 58.69 1751 0.143 0.907 0.44 1.91 3187 1726 8.90 6.59 3.52 FCC --- 1.03 5.2 4.49 Nickel solid 2 91.65 427.97 67 0.93} {Cu 1.57 1.17 29 63.546 ???? 0.596 4.01 0.38 1.90 2836 1357.6 8.96 7.1 3.61 FCC --- 0.7718 0.52 3.78 Copper solid 2 19.68 336.207 72 0.95} {Zn 1.53 1.25 30 65.39 1746 0.166 1.16 0.39 1.65 1180.0 692.73 7.14 9.2 2.66 HEX 1.856 0.5680 0.077 1.11 Zinc solid 2 0.00 129.86 76 1.00} {Ga 1.81 1.26 31 69.723 1875 0.0678 0.406 0.37 1.81 2478 302.90 5.91 11.8 4.51 ORC 1.695/1.001 0.7288 0.0 2.9 Gallium solid 3 14.36 276.02 81 0.90} {Ge 1.52 1.22 32 72.61 1886 1 0.599 0.32 2.01 3107 1210.4 5.32 13.6 5.66 DIA --- 0.81929 0.17 2.3 Germanium solid 4 59.15 369.238 84 0.85} {As 1.33 1.20 33 74.92159 ???? 0.0345 0.500 0.33 2.18 876 1081 5.72 13.1 4.13 RHL 54\"10' 0.658 0.060 4.5 Arsenic solid 3 136.99 301.93 89 1.00} {Se 1.22 1.16 34 78.96 1817 1.0e-12 0.0204 0.32 2.55 958 494 4.80 16.45 4.36 HEX 1.136 0.797 0.33 11.7 Selenium solid 2 61.67 226.421 93 1.30} {Br 1.12 1.14 35 79.904 1826 --- 0.00122 0.473 2.96 332.25 265.90 3.12 23.5 6.67 ORC 1.307/0.672 0.679 0.10 6.9 Bromine liquid 1 15.62 117.933 98 1.40} {Kr 1.03 1.12 36 83.80 1898 --- 0.0000949 0.248 --- 119.80 115.78 3.74 38.9 5.72 FCC --- 0.780 0.03 25. Krypton gas 0 0.00 0 4 1.90} {Rb 2.98 2.16 37 85.4678 1861 0.0779 0.582 0.363 0.82 961 312.64 1.53 55.9 5.59 BCC --- 0.708 0.3 0.38 Rubidium solid 1 12.78 82.192 9 1.80} {Sr 2.45 1.91 38 87.62 1790 0.0762 0.353 0.30 0.95 1650.0 1041 2.6 33.7 6.08 FCC --- 0.702 0.04 1.28 Strontium solid 2 0.00 164 15 1.60} {Y 2.27 1.62 39 88.90585 1794 0.0166 0.172 0.30 1.22 3611 1799 4.5 19.8 3.65 HEX 1.571 0.775 0.15 1.28 Yttrium solid 3 11.91 420.11 25 1.30} {Zr 2.16 1.45 40 91.224 1789 0.0236 0.227 0.27 1.33 4682 2125 6.49 14.1 3.23 HEX 1.593 0.716 0.16 0.185 Zirconium solid 4 51.13 607.71 49 1.15} {Nb 2.09 1.34 41 92.90638 1801 0.0693 0.537 0.26 1.6 5017 2740.0 8.55 10.87 3.30 BCC --- 0.7054 0.0024 1.15 Niobium solid 5 261.09 722.89 53 1.12} {Mo 2.01 1.30 42 95.94 1778 0.187 1.38 0.25 2.16 4912 2890.0 10.2 9.4 3.15 BCC --- 0.695 0.28 2.55 Molybdenum solid 6 392.14 656.393 56 1.11} {Tc 1.95 1.27 43 98.91 1937 0.067 0.506 0.21 1.9 4538 2473 11.5 8.5 2.74 HEX 1.604 0.68 0.0 20.0 Technetium solid ? 359.05 678 59 1.10} {Ru 1.89 1.25 44 101.07 1844 0.137 1.17 0.238 2.2 4423 2523 12.2 8.3 2.70 HEX 1.584 0.721 0.07 2.56 Ruthenium solid 3 166.40 641.37 62 1.09} {Rh 1.83 1.25 45 102.90550 1803 0.211 1.50 0.242 2.28 3970.0 2236 12.4 8.3 3.90 FCC --- 0.588 0.0 145.0 Rhodium solid 3 88.99 555.71 65 1.08} {Pd 1.79 1.28 46 106.42 1803 0.0950 0.718 0.24 2.20 3237 1825 12.0 8.9 3.89 FCC --- 0.591 0.093 6.9 Palladium solid 2 0.00 377.24 69 1.07} {Ag 1.75 1.34 47 107.8682 ???? 0.630 4.29 0.235 1.93 2436 1234 10.5 10.3 4.09 FCC --- 0.5922 0.58 63.3 Silver solid 1 16.11 284.45 71 1.10} {Cd 1.71 1.48 48 112.411 1817 0.138 0.968 0.23 1.69 1040.0 594.18 8.65 13.1 2.98 HEX 1.886 0.51 2.4 2520.0 Cadmium solid 2 0.00 111.85 75 1.20} {In 2.00 1.44 49 114.82 1863 0.116 0.816 0.23 1.78 2346 429.76 7.31 15.7 4.59 TET 1.076 0.4065 0.54 193.8 Indium solid 3 12.46 243.7 79 1.05} {Sn 1.72 1.41 50 118.710 ???? 0.0917 0.666 0.227 1.96 2876 505.06 7.30 16.3 5.82 TET 0.546 0.6228 0.022 0.626 Tin solid 4 49.86 301.308 83 1.00} {Sb 1.53 1.40 51 121.75 ???? 0.0288 0.243 0.21 2.05 1860.0 904 6.68 18.23 4.51 RHL 58\"6' 0.5641 0.3 5.1 Antimony solid 3 113.05 262.7 88 1.30} {Te 1.42 1.36 52 127.60 1782 2.0e-6 0.0235 0.20 2.1 1261 722.65 6.24 20.5 4.45 HEX 1.33 0.543 0.02 4.7 Tellurium solid 2 50.05 196.62 92 1.70} {I 1.32 1.33 53 126.90447 1804 8.0e-16 0.00449 0.214 2.66 458.4 386.7 4.92 25.74 7.27 ORC 1.347/0.659 0.528 0.0 6.2 Iodine solid 1 12.51 113.759 97 1.80} {Xe 1.24 1.31 54 131.29 1898 --- 0.0000569 0.158 --- 165.03 161.36 5.89 37.3 6.20 FCC --- 0.485 0.0 23.9 Xenon gas 0 0.00 0 5 2.10} {Cs 3.34 2.35 55 132.90543 1860 0.0489 0.359 0.24 0.79 944 301.55 1.87 71.07 6.05 BCC --- 0.542 0.21 29.0 Cesium solid 1 10.91 78.014 8 1.80} {Ba 2.78 1.98 56 137.327 1808 0.030 0.184 0.204 0.89 2171 1002 3.5 39.24 5.02 BCC --- 0.525 0.01 1.2 Barium solid 2 0.00 181.7 14 1.60} {La 2.74 1.69 57 138.9055 1839 0.0126 0.135 0.19 1.10 3730.0 1193 6.7 20.73 3.75 HEX 1.619 0.824 1.13 8.97 Lanthanum solid 3 10.68 431.36 33 1.30} {Ce 2.70 1.65 58 140.115 1803 0.0115 0.114 0.19 1.12 3699 1071 6.78 20.67 5.16 FCC --- 0.484 0.0 0.63 Cerium solid 3 33.37 424.33 32 1.20} {Pr 2.67 1.65 59 140.90765 1885 0.0148 0.125 0.19 1.13 3785 1204 6.77 20.8 3.67 HEX 1.614 0.445 0.016 11.5 Praseodymium solid 3 134.97 357.08 31 1.19} {Nd 2.64 1.64 60 144.24 1925 0.0157 0.165 0.19 1.14 3341 1289 7.00 20.6 3.66 HEX 1.614 0.769 11. 50.5 Neodymium solid 3 248.46 328.93 30 1.18} {Pm 2.62 1.63 61 146.9151 1945 --- 0.179 0.18 1.13 3785 1204 6.475 22.39 --- --- --- 1.26 1.3 168.4 Promethium solid 3 399.56 --- 29 1.17} {Sm 2.59 1.62 62 150.36 1879 0.00956 0.133 0.20 1.17 2064 1345 7.54 19.95 9.00 RHL 23\"13' 0.42 50. 5670. Samarium solid 3 589.70 206.43 28 1.16} {Eu 2.56 1.85 63 151.965 1901 0.0112 0.139 0.18 1.2 1870.0 1090.0 5.26 28.9 4.61 BCC --- 0.668 2.2 4600. Europium solid 3 820.13 176.8 18 1.15} {Gd 2.54 1.61 64 157.25 1880 0.00736 0.106 0.23 1.20 3539 1585 7.89 19.9 3.64 HEX 1.588 0.95 158.0 48890. Gadolinium solid 3 949.67 398.47 27 1.14} {Tb 2.51 1.59 65 158.92534 1843 0.00889 0.111 0.18 1.2 3496 1630.0 8.27 19.2 3.60 HEX 1.581 0.738 0.004 23.4 Terbium solid 3 436.00 390.91 26 1.13} {Dy 2.49 1.59 66 162.50 1886 0.0108 0.107 0.17 1.22 2835 1682 8.54 19.0 3.59 HEX 1.573 1.69 54.5 940. Dysprosium solid 3 283.86 291.8 24 1.12} {Ho 2.47 1.58 67 164.93032 1878 0.0124 0.162 0.16 1.23 2968 1743 8.80 18.7 3.58 HEX 1.570 0.808 0.36 64.7 Holmium solid 3 162.17 302.8 23 1.11} {Er 2.45 1.57 68 167.26 1843 0.0117 0.143 0.17 1.24 3136 1795 9.05 18.4 3.56 HEX 1.570 0.803 1.2 159.2 Erbium solid 3 73.11 318.18 22 1.10} {Tm 2.42 1.56 69 168.93421 1879 0.0150 0.168 0.16 1.25 2220.0 1818 9.33 18.1 3.54 HEX 1.570 0.705 0.41 105. Thulium solid 3 18.52 233.19 21 1.09} {Yb 2.40 1.74 70 173.04 1878 0.0351 0.349 0.15 1.1 1467 1097 6.98 24.79 5.49 FCC --- 1.24 3.0 35.1 Ytterbium solid 3 0.00 152.51 17 1.08} {Lu 2.25 1.56 71 174.967 1907 0.0185 0.164 0.15 1.27 3668 1936 9.84 17.78 3.51 HEX 1.585 0.73 0.1 76.4 Lutetium solid 3 11.53 428.18 20 1.07} {Hf 2.16 1.44 72 178.49 1923 0.0312 0.230 0.14 1.3 4876 2500.0 13.1 13.6 3.20 HEX 1.582 0.777 2.6 104.1 Hafnium solid 4 48.55 618.65 50 1.15} {Ta 2.09 1.34 73 180.9479 1802 0.0761 0.575 0.14 1.5 5731 3287 16.6 10.90 3.31 BCC --- 0.691 0.02 20.6 Tantalum solid 5 112.72 781.44 52 1.12} {W 2.02 1.30 74 183.85 1783 0.189 1.74 0.13 2.36 5828 3680.0 19.3 9.53 3.16 BCC --- 0.477 2.00 18.4 Tungsten solid 6 204.93 847.76 55 1.11} {Re 1.97 1.28 75 186.207 1925 0.0542 0.479 0.13 1.9 5869 3453 21.0 8.85 2.76 HEX 1.615 0.92 0.9 90.7 Rhenium solid 5 325.85 769.22 58 1.10} {Os 1.92 1.26 76 190.2 1804 0.109 0.876 0.13 2.2 5285 3300.0 22.4 8.49 2.74 HEX 1.579 1.10 0.4 16.0 Osmium solid 4 210.26 791 63 1.09} {Ir 1.87 1.27 77 192.22 1804 0.197 1.47 0.130 2.20 4701 2716 22.5 8.54 3.84 FCC --- 1.06 0.2 425.3 Iridium solid 4 119.17 664.07 66 1.08} {Pt 1.83 1.30 78 195.08 1735 0.0966 0.716 0.13 2.28 4100.0 2045 21.4 9.10 3.92 FCC --- 0.963 0.13 10.3 Platinum solid 4 36.06 564.16 68 1.07} {Au 1.79 1.34 79 196.96654 ???? 0.452 3.17 0.128 2.54 3130.0 1337.58 19.3 10.2 4.08 FCC --- 0.763 0.36 98.65 Gold solid 3 14.78 365.81 70 1.10} {Hg 1.76 1.49 80 200.59 ???? 0.0104 0.0834 0.139 2.00 630.0 234.28 13.53 14.82 2.99 RHL 70\"45' 1.266 6.7 372.3 Mercury liquid 2 0.00 64.525 74 1.20} {Tl 2.08 1.48 81 204.3833 1861 0.0617 0.461 0.13 2.04 1746 577 11.85 17.2 3.46 HEX 1.599 0.8785 0.14 3.43 Thallium solid 3 11.75 182.83 78 1.20} {Pb 1.81 1.47 82 207.2 ???? 0.0481 0.353 0.13 2.33 2023 600.6 11.4 18.17 4.95 FCC --- 0.94003 0.003 0.171 Lead solid 4 46.28 195.873 82 1.10} {Bi 1.63 1.46 83 208.98037 ???? 0.00867 0.0787 0.12 2.02 1837 544.52 9.8 21.3 4.75 RHL 58\"14' 0.85256 0.0072 0.0338 Bismuth solid 3 103.69 207.23 87 1.30} {Po 1.53 1.46 84 209.98 1898 0.0219 0.20 0.12 2.0 1235 527 9.4 22.23 3.35 SC --- --- --- --- Polonium solid 2 45.46 --- 91 1.90} {At 1.43 1.45 85 209.9871 1940 --- 0.017 --- 2.2 610.0 575 --- --- --- --- --- --- --- --- Astatine solid 1 11.27 --- 96 2.00} {Rn 1.34 1.43 86 (222) 1898 --- 0.0000364 0.09 --- 211 202 9.91 50.5 --- --- --- --- --- --- Radon gas 0 0.00 0 6 2.20} {Fr 3.50 2.50 87 223.0197 1939 0.03 0.15 --- 0.7 950.0 300.0 --- --- --- --- --- 0.8495 0.0072 0.036 Francium solid 1 10.15 --- 7 2.00} {Ra 3.00 2.40 88 226.025 1898 --- 0.186 0.12 0.9 1809 973 5 45.20 --- --- --- 1.0 0.0 12.8 Radium solid 2 0.00 159 13 1.50} {Ac 3.20 2.20 89 227.028 1899 --- 0.12 --- 1.1 3473 1323 10.07 22.54 5.31 FCC --- --- --- --- Actinium solid 3 9.74 406 48 1.30} {Th 3.16 1.65 90 232.0381 1828 0.0653 0.540 0.12 1.3 5061 2028 11.7 19.9 5.08 FCC --- 0.984 0.0 7.37 Thorium solid 3 39.72 602 47 1.20} {Pa 3.14 1.535 91 231.03588 1917 0.0529 0.47 0.12 1.5 --- --- 15.4 15.0 3.92 TET 0.825 0.91 0.0 200.6 Protactinium solid 3 75.76 607 46 1.10} {U 3.11 1.42 92 238.0289 1789 0.0380 0.276 0.12 1.38 4407 1405 18.90 12.59 2.85 ORC 2.056/1.736 0.8417 0.004 7.57 Uranium solid 3 148.67 533 45 1.10} {Np 3.08 1.42 93 237.048 1940 0.00822 0.063 0.12 1.36 --- 910.0 20.4 11.62 4.72 ORC 1.411/1.035 1.055 0.0 175.9 Neptunium solid 3 {} --- 44 1.10} {Pu 3.05 1.42 94 244.0642 1940 0.00666 0.0674 0.13 1.28 3503 913 19.8 12.32 --- MCL --- 1.41 0.0 558. Plutonium solid 3 {} --- 43 1.10} {Am 3.02 --- 95 243.061375 1945 0.022 0.1 0.11 1.3 2880.0 1268 13.6 17.86 --- --- --- 0.83 0.0 75.3 Americium solid 3 {} --- 42 1.10} {Cm 2.99 --- 96 247.0703 1944 --- 0.1 --- 1.3 --- 1340.0 13.511 18.28 --- --- --- 0.7 0.0 0.0 Curium solid 3 {} --- 41 1.10} {Bk 2.97 --- 97 (247) 1949 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Berkelium solid 3 {} --- 40 1.10} {Cf 2.95 --- 98 (251) 1950 --- 0.1 --- 1.3 --- 900.0 --- --- --- --- --- --- --- --- Californium solid 3 {} --- 39 1.10} {Es 2.92 --- 99 (252) 1952 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Einsteinium solid 3 {} --- 38 1.10} {Fm 2.90 --- 100 257.0951 1953 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Fermium solid 3 {} --- 37 1.10} {Md 2.87 --- 101 (258) 1955 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Mendelevium solid 3 {} --- 36 1.10} {No 2.85 --- 102 (259) 1957 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Nobelium solid 3 {} --- 35 1.10} {Lr 2.82 --- 103 (266) 1961 --- 0.1 --- --- --- --- --- --- --- --- --- --- --- --- Lawrencium solid 3 {} --- 34 1.10} {Rf --- --- 104 261.1087 1964 --- 0.23 --- --- --- --- --- --- --- --- --- --- --- --- Rutherfordium solid ? {} --- 104 1.10} {Db --- --- 105 262.1138 1970 --- 0.58 --- --- --- --- --- --- --- --- --- --- --- --- Dubnium solid ? {} --- 105 1.10} {Sg --- --- 106 263.1182 1974 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Seaborgium solid ? {} --- 106 1.10} {Bh --- --- 107 262.1229 1976 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Bohrium solid ? {} --- 107 1.10} {Hs --- --- 108 (270) 1984 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Hassium solid ? {} --- 108 1.10} {Mt --- --- 109 (268) 1982 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Meitnerium solid ? {} --- 109 1.10} {Ds --- --- 110 (281) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Darmstadtium solid ? {} --- {} 1.10} {Rg --- --- 111 (280) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Roentgenium solid ? {} {} {} {}} {Cn --- --- 112 (277) 1996 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Copernicium solid ? {} {} {} {}} {Nh --- --- 113 (287) 2003 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Nihonium solid ? {} {} {} {}} {Fl --- --- 114 (289) 1999 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Flerovium solid ? {} {} {} {}} {Mc --- --- 115 (289) 2004 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Moscovium solid ? {} {} {} {}} {Lv --- --- 116 (293) 2000 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Livermorium solid ? {} {} {} {}} {Ts --- --- 117 (294) 2010 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Tennessine solid ? {} {} {} {}} {Og --- --- 118 (294) 2006 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Oganesson solid ? {} {} {} {}}} } } }