job.id 442 job.name {3D AM_6OH cubic amorphous init velocity-NVT 0.2.fs, 2000 to sphere} job.description { } job.status finished job.submitted {2025-01-01 22:13:14} job.started {2025-01-01 22:13:14} job.finished {2025-01-03 00:18:40} job.queue 1 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 $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-stage-variables-424827c5-b9d4-426b-aacb-4100f88df390 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-424827c5-b9d4-426b-aacb-4100f88df390 Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-start-69449361-2f74-40de-a706-0867bec742c1 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-69449361-2f74-40de-a706-0867bec742c1 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 {$system} -workingdirectory .} } md-lammps-stage-ef2f0b3f-91be-4917-b963-5676e48aface MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-ef2f0b3f-91be-4917-b963-5676e48aface Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-variables-424827c5-b9d4-426b-aacb-4100f88df390 out}} 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-fb414e13-f927-4f22-a775-572f2603dc27 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-fb414e13-f927-4f22-a775-572f2603dc27 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 {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-start-5e16f28d-4430-4649-8669-c9bda36cc7ea out} in,anchor n} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-stage-start-5e16f28d-4430-4649-8669-c9bda36cc7ea {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-5e16f28d-4430-4649-8669-c9bda36cc7ea Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-b55b5bbf-e86b-43d9-8527-3a6f90fb98ad MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-b55b5bbf-e86b-43d9-8527-3a6f90fb98ad 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-64eea667-f7a4-46e5-b93a-0ba3346652c1 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-64eea667-f7a4-46e5-b93a-0ba3346652c1 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 {} } } } Connections { md-lammps-stage-b55b5bbf-e86b-43d9-8527-3a6f90fb98ad,md-lammps-stage-64eea667-f7a4-46e5-b93a-0ba3346652c1 1 md-lammps-stage-fb414e13-f927-4f22-a775-572f2603dc27,md-lammps-stage-b55b5bbf-e86b-43d9-8527-3a6f90fb98ad 1 md-stage-start-5e16f28d-4430-4649-8669-c9bda36cc7ea,md-lammps-stage-fb414e13-f927-4f22-a775-572f2603dc27 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-2d499290-8119-4f0d-a58e-4f069097f780 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-2d499290-8119-4f0d-a58e-4f069097f780 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-64eea667-f7a4-46e5-b93a-0ba3346652c1} } md-flowchart-circle1-6529585a-f1eb-4e22-97a6-31c5b96d06df ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-6529585a-f1eb-4e22-97a6-31c5b96d06df Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-5e16f28d-4430-4649-8669-c9bda36cc7ea} } md-flowchart-oval-fca1cf5a-cdbe-43bc-999c-de78302a94ac ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-fca1cf5a-cdbe-43bc-999c-de78302a94ac 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-fb414e13-f927-4f22-a775-572f2603dc27} } md-flowchart-rectangle-8051133e-6b2d-44b1-9998-4bc13c4530de ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-8051133e-6b2d-44b1-9998-4bc13c4530de 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-b55b5bbf-e86b-43d9-8527-3a6f90fb98ad} } } Connections { md-flowchart-rectangle-8051133e-6b2d-44b1-9998-4bc13c4530de,md-flowchart-rectangle-2d499290-8119-4f0d-a58e-4f069097f780 70 md-flowchart-circle1-6529585a-f1eb-4e22-97a6-31c5b96d06df,md-flowchart-oval-fca1cf5a-cdbe-43bc-999c-de78302a94ac 64 md-flowchart-oval-fca1cf5a-cdbe-43bc-999c-de78302a94ac,md-flowchart-rectangle-8051133e-6b2d-44b1-9998-4bc13c4530de 76 } } } } } Connections { md-stage-variables-424827c5-b9d4-426b-aacb-4100f88df390,md-lammps-stage-ef2f0b3f-91be-4917-b963-5676e48aface 1 md-stage-start-69449361-2f74-40de-a706-0867bec742c1,md-stage-variables-424827c5-b9d4-426b-aacb-4100f88df390 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-oval-33487747-1efe-49ea-8057-06415928aa1c ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-33487747-1efe-49ea-8057-06415928aa1c 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-424827c5-b9d4-426b-aacb-4100f88df390} } md-flowchart-circle1-ff525aac-b507-4959-a09c-bea6bca39d09 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-ff525aac-b507-4959-a09c-bea6bca39d09 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-69449361-2f74-40de-a706-0867bec742c1} } md-flowchart-rectangle-1cd1971a-f21d-411b-b618-ae92e750b9d5 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-1cd1971a-f21d-411b-b618-ae92e750b9d5 Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-ef2f0b3f-91be-4917-b963-5676e48aface} } } Connections { md-flowchart-circle1-ff525aac-b507-4959-a09c-bea6bca39d09,md-flowchart-oval-33487747-1efe-49ea-8057-06415928aa1c 188 md-flowchart-oval-33487747-1efe-49ea-8057-06415928aa1c,md-flowchart-rectangle-1cd1971a-f21d-411b-b618-ae92e750b9d5 194 } } } 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 {0.428747 0.459489 0.498013} O1 1 -1 14 {} Si 0.0 {0.427126 0.469166 0.510248} Si1 2 -1 14 {} Si 0.0 {0.422875 0.449525 0.486874} Si2 3 -1 8 {} O 0.0 {0.431121 0.436512 0.485519} O2 4 -1 1 {} H 0.0 {0.426911 0.427933 0.486545} H1 5 -1 8 {} O 0.0 {0.425026 0.455917 0.472699} O3 6 -1 1 {} H 0.0 {0.43041 0.463859 0.473927} H2 7 -1 8 {} O 0.0 {0.407834 0.445833 0.487918} O4 8 -1 1 {} H 0.0 {0.402277 0.453392 0.485355} H3 9 -1 8 {} O 0.0 {0.426341 0.462403 0.524794} O5 10 -1 1 {} H 0.0 {0.418682 0.45705 0.525999} H4 11 -1 8 {} O 0.0 {0.439068 0.478858 0.510528} O6 12 -1 1 {} H 0.0 {0.439561 0.483527 0.501974} H5 13 -1 8 {} O 0.0 {0.415028 0.478849 0.506791} O7 14 -1 1 {} H 0.0 {0.415969 0.487535 0.510176} H6 15 -1 8 {} O 0.0 {0.215063 0.0960789 0.82512} O1 16 -1 14 {} Si 0.0 {0.220104 0.0930052 0.809524} Si1 17 -1 14 {} Si 0.0 {0.202442 0.103091 0.818692} Si2 18 -1 8 {} O 0.0 {0.467783 0.333204 0.656507} O2 19 -1 1 {} H 0.0 {0.631509 0.657195 0.445185} H1 20 -1 8 {} O 0.0 {0.465749 0.360712 0.653674} O3 21 -1 1 {} H 0.0 {0.471059 0.36294 0.645725} H2 22 -1 8 {} O 0.0 {0.445378 0.316279 0.650035} O4 23 -1 1 {} H 0.0 {0.437314 0.321311 0.649139} H3 24 -1 8 {} O 0.0 {0.358052 0.666812 0.595867} O5 25 -1 1 {} H 0.0 {0.624611 0.526752 0.472429} H4 26 -1 8 {} O 0.0 {0.210144 0.0840346 0.801073} O6 27 -1 1 {} H 0.0 {0.209008 0.0868265 0.792025} H5 28 -1 8 {} O 0.0 {0.218025 0.106793 0.802292} O7 29 -1 1 {} H 0.0 {0.20642 0.107793 0.803338} H6 30 -1 8 {} O 0.0 {0.626416 0.385652 0.427601} O1 31 -1 14 {} Si 0.0 {0.636275 0.385614 0.43985} Si1 32 -1 14 {} Si 0.0 {0.616721 0.393451 0.4185} Si2 33 -1 8 {} O 0.0 {0.610858 0.405695 0.425795} O2 34 -1 1 {} H 0.0 {0.605221 0.402217 0.432864} H1 35 -1 8 {} O 0.0 {0.606253 0.383475 0.415075} O3 36 -1 1 {} H 0.0 {0.598606 0.384107 0.420895} H2 37 -1 8 {} O 0.0 {0.623887 0.398689 0.40597} O4 38 -1 1 {} H 0.0 {0.616373 0.401271 0.399479} H3 39 -1 8 {} O 0.0 {0.646668 0.397584 0.439934} O5 40 -1 1 {} H 0.0 {0.654721 0.395707 0.444826} H4 41 -1 8 {} O 0.0 {0.628585 0.385438 0.453506} O6 42 -1 1 {} H 0.0 {0.62018 0.390026 0.452374} H5 43 -1 8 {} O 0.0 {0.644091 0.37122 0.439651} O7 44 -1 1 {} H 0.0 {0.636636 0.364892 0.4385} H6 45 -1 8 {} O 0.0 {0.458225 0.474714 0.384375} O1 46 -1 14 {} Si 0.0 {0.473504 0.473717 0.38675} Si1 47 -1 14 {} Si 0.0 {0.444078 0.473345 0.377876} Si2 48 -1 8 {} O 0.0 {0.446253 0.470142 0.362126} O2 49 -1 1 {} H 0.0 {0.454254 0.474925 0.358788} H1 50 -1 8 {} O 0.0 {0.436171 0.487428 0.376864} O3 51 -1 1 {} H 0.0 {0.427805 0.486971 0.381824} H2 52 -1 8 {} O 0.0 {0.435737 0.462717 0.384513} O4 53 -1 1 {} H 0.0 {0.439185 0.453724 0.383931} H3 54 -1 8 {} O 0.0 {0.47722 0.458395 0.389578} O5 55 -1 1 {} H 0.0 {0.475487 0.456212 0.398874} H4 56 -1 8 {} O 0.0 {0.482975 0.478772 0.375255} O6 57 -1 1 {} H 0.0 {0.489339 0.472254 0.372968} H5 58 -1 8 {} O 0.0 {0.480179 0.480873 0.398608} O7 59 -1 1 {} H 0.0 {0.488784 0.483902 0.395995} H6 60 -1 8 {} O 0.0 {0.569622 0.621021 0.353535} O1 61 -1 14 {} Si 0.0 {0.571906 0.633444 0.36277} Si1 62 -1 14 {} Si 0.0 {0.56592 0.608679 0.344856} Si2 63 -1 8 {} O 0.0 {0.551442 0.60304 0.346676} O2 64 -1 1 {} H 0.0 {0.62172 0.586876 0.313212} H1 65 -1 8 {} O 0.0 {0.577242 0.598845 0.350617} O3 66 -1 1 {} H 0.0 {0.548277 0.571996 0.352774} H2 67 -1 8 {} O 0.0 {0.56929 0.611665 0.33007} O4 68 -1 1 {} H 0.0 {0.562275 0.617019 0.325776} H3 69 -1 8 {} O 0.0 {0.56232 0.64401 0.355012} O5 70 -1 1 {} H 0.0 {0.55655 0.640676 0.347995} H4 71 -1 8 {} O 0.0 {0.565709 0.629202 0.376321} O6 72 -1 1 {} H 0.0 {0.571363 0.625592 0.383329} H5 73 -1 8 {} O 0.0 {0.587731 0.63471 0.3627} O7 74 -1 1 {} H 0.0 {0.592958 0.626733 0.362717} H6 75 -1 8 {} O 0.0 {0.43149 0.600652 0.452929} O1 76 -1 14 {} Si 0.0 {0.416419 0.596716 0.455659} Si1 77 -1 14 {} Si 0.0 {0.443166 0.605252 0.443602} Si2 78 -1 8 {} O 0.0 {0.450513 0.617586 0.44939} O2 79 -1 1 {} H 0.0 {0.44804 0.624853 0.443531} H1 80 -1 8 {} O 0.0 {0.437194 0.604825 0.428708} O3 81 -1 1 {} H 0.0 {0.433021 0.595958 0.426901} H2 82 -1 8 {} O 0.0 {0.453981 0.59371 0.444385} O4 83 -1 1 {} H 0.0 {0.463076 0.59817 0.443957} H3 84 -1 8 {} O 0.0 {0.413032 0.60783 0.46722} O5 85 -1 1 {} H 0.0 {0.420388 0.613606 0.469633} H4 86 -1 8 {} O 0.0 {0.406106 0.599631 0.444035} O6 87 -1 1 {} H 0.0 {0.397581 0.595177 0.446264} H5 88 -1 8 {} O 0.0 {0.417718 0.581611 0.459773} O7 89 -1 1 {} H 0.0 {0.427383 0.579814 0.461059} H6 90 -1 8 {} O 0.0 {0.609037 0.438142 0.577659} O1 91 -1 14 {} Si 0.0 {0.613168 0.423589 0.571705} Si1 92 -1 14 {} Si 0.0 {0.60657 0.450601 0.586255} Si2 93 -1 8 {} O 0.0 {0.593001 0.448583 0.593442} O2 94 -1 1 {} H 0.0 {0.59243 0.439231 0.596364} H1 95 -1 8 {} O 0.0 {0.605398 0.463941 0.577825} O3 96 -1 1 {} H 0.0 {0.596682 0.465965 0.573625} H2 97 -1 8 {} O 0.0 {0.616593 0.453664 0.597648} O4 98 -1 1 {} H 0.0 {0.619037 0.463493 0.598187} H3 99 -1 8 {} O 0.0 {0.608375 0.411602 0.580694} O5 100 -1 1 {} H 0.0 {0.603568 0.414314 0.589614} H4 101 -1 8 {} O 0.0 {0.607554 0.418997 0.557955} O6 102 -1 1 {} H 0.0 {0.610228 0.410928 0.554072} H5 103 -1 8 {} O 0.0 {0.628452 0.423135 0.571746} O7 104 -1 1 {} H 0.0 {0.650525 0.38135 0.607116} H6 105 -1 8 {} O 0.0 {0.59272 0.393331 0.343635} O1 106 -1 14 {} Si 0.0 {0.599117 0.40802 0.343835} Si1 107 -1 14 {} Si 0.0 {0.590919 0.379164 0.349896} Si2 108 -1 8 {} O 0.0 {0.576983 0.378552 0.356229} O2 109 -1 1 {} H 0.0 {0.571554 0.371659 0.350642} H1 110 -1 8 {} O 0.0 {0.601192 0.37644 0.361009} O3 111 -1 1 {} H 0.0 {0.597051 0.372228 0.368654} H2 112 -1 8 {} O 0.0 {0.592627 0.368612 0.338907} O4 113 -1 1 {} H 0.0 {0.584192 0.410432 0.319391} H3 114 -1 8 {} O 0.0 {0.602755 0.410558 0.328927} O5 115 -1 1 {} H 0.0 {0.561589 0.416349 0.297918} H4 116 -1 8 {} O 0.0 {0.587398 0.418968 0.346775} O6 117 -1 1 {} H 0.0 {0.585068 0.419863 0.355914} H5 118 -1 8 {} O 0.0 {0.610993 0.411218 0.353506} O7 119 -1 1 {} H 0.0 {0.609773 0.486825 0.34223} H6 120 -1 8 {} O 0.0 {0.503902 0.295396 0.547138} O1 121 -1 14 {} Si 0.0 {0.518626 0.29888 0.551165} Si1 122 -1 14 {} Si 0.0 {0.48927 0.297154 0.543982} Si2 123 -1 8 {} O 0.0 {0.485454 0.299042 0.528717} O2 124 -1 1 {} H 0.0 {0.493831 0.299382 0.523194} H1 125 -1 8 {} O 0.0 {0.482783 0.310267 0.551536} O3 126 -1 1 {} H 0.0 {0.485434 0.310984 0.560784} H2 127 -1 8 {} O 0.0 {0.479822 0.286722 0.550316} O4 128 -1 1 {} H 0.0 {0.46684 0.283939 0.567341} H3 129 -1 8 {} O 0.0 {0.519615 0.314117 0.553824} O5 130 -1 1 {} H 0.0 {0.524977 0.315049 0.561691} H4 131 -1 8 {} O 0.0 {0.521355 0.291368 0.56422} O6 132 -1 1 {} H 0.0 {0.469766 0.338824 0.536154} H5 133 -1 8 {} O 0.0 {0.530047 0.299041 0.540465} O7 134 -1 1 {} H 0.0 {0.526358 0.301596 0.531522} H6 135 -1 8 {} O 0.0 {0.557176 0.667368 0.630157} O1 136 -1 14 {} Si 0.0 {0.908644 0.540587 0.586231} Si1 137 -1 14 {} Si 0.0 {0.579148 0.607155 0.673201} Si2 138 -1 8 {} O 0.0 {0.582731 0.611168 0.658746} O2 139 -1 1 {} H 0.0 {0.629733 0.580604 0.673519} H1 140 -1 8 {} O 0.0 {0.563704 0.610567 0.673897} O3 141 -1 1 {} H 0.0 {0.588038 0.622773 0.622417} H2 142 -1 8 {} O 0.0 {0.588805 0.61391 0.684125} O4 143 -1 1 {} H 0.0 {0.597402 0.60985 0.683682} H3 144 -1 8 {} O 0.0 {0.901257 0.532149 0.597923} O5 145 -1 1 {} H 0.0 {0.510673 0.684103 0.592688} H4 146 -1 8 {} O 0.0 {0.890279 0.522362 0.618921} O6 147 -1 1 {} H 0.0 {0.889347 0.51311 0.622745} H5 148 -1 8 {} O 0.0 {0.899505 0.548668 0.578974} O7 149 -1 1 {} H 0.0 {0.165373 0.357231 0.337413} H6 150 -1 8 {} O 0.0 {0.427228 0.683743 0.581602} O1 151 -1 14 {} Si 0.0 {0.425592 0.668482 0.5778} Si1 152 -1 14 {} Si 0.0 {0.431229 0.696465 0.58951} Si2 153 -1 8 {} O 0.0 {0.419262 0.702518 0.596602} O2 154 -1 1 {} H 0.0 {0.416869 0.697132 0.60465} H1 155 -1 8 {} O 0.0 {0.437498 0.70564 0.577641} O3 156 -1 1 {} H 0.0 {0.446408 0.7046 0.578229} H2 157 -1 8 {} O 0.0 {0.442759 0.693852 0.598733} O4 158 -1 1 {} H 0.0 {0.439194 0.69096 0.608098} H3 159 -1 8 {} O 0.0 {0.411899 0.663113 0.581831} O5 160 -1 1 {} H 0.0 {0.404792 0.663008 0.574301} H4 161 -1 8 {} O 0.0 {0.42808 0.665113 0.563143} O6 162 -1 1 {} H 0.0 {0.427171 0.656474 0.559518} H5 163 -1 8 {} O 0.0 {0.436026 0.660263 0.585908} O7 164 -1 1 {} H 0.0 {0.431146 0.654024 0.591913} H6 165 -1 8 {} O 0.0 {0.658316 0.461104 0.371587} O1 166 -1 14 {} Si 0.0 {0.670661 0.459683 0.362306} Si1 167 -1 14 {} Si 0.0 {0.642778 0.463308 0.37379} Si2 168 -1 8 {} O 0.0 {0.636719 0.47722 0.373626} O2 169 -1 1 {} H 0.0 {0.644656 0.483368 0.372138} H1 170 -1 8 {} O 0.0 {0.63951 0.457111 0.387709} O3 171 -1 1 {} H 0.0 {0.629983 0.460631 0.390035} H2 172 -1 8 {} O 0.0 {0.635396 0.455162 0.362644} O4 173 -1 1 {} H 0.0 {0.602093 0.48436 0.364324} H3 174 -1 8 {} O 0.0 {0.682418 0.459784 0.373726} O5 175 -1 1 {} H 0.0 {0.678274 0.458692 0.381864} H4 176 -1 8 {} O 0.0 {0.674075 0.446454 0.355054} O6 177 -1 1 {} H 0.0 {0.682914 0.445871 0.350968} H5 178 -1 8 {} O 0.0 {0.673863 0.47301 0.35409} O7 179 -1 1 {} H 0.0 {0.677466 0.47981 0.360193} H6 180 -1 8 {} O 0.0 {0.519809 0.332434 0.654421} O1 181 -1 14 {} Si 0.0 {0.525053 0.32858 0.667978} Si1 182 -1 14 {} Si 0.0 {0.509837 0.332059 0.641602} Si2 183 -1 8 {} O 0.0 {0.495024 0.335366 0.645249} O2 184 -1 1 {} H 0.0 {0.475731 0.364065 0.66471} H1 185 -1 8 {} O 0.0 {0.510526 0.31809 0.63454} O3 186 -1 1 {} H 0.0 {0.516707 0.318688 0.627196} H2 187 -1 8 {} O 0.0 {0.513689 0.343579 0.631827} O4 188 -1 1 {} H 0.0 {0.51942 0.350197 0.636693} H3 189 -1 8 {} O 0.0 {0.512752 0.32973 0.677307} O5 190 -1 1 {} H 0.0 {0.506496 0.336955 0.674408} H4 191 -1 8 {} O 0.0 {0.531281 0.314025 0.668342} O6 192 -1 1 {} H 0.0 {0.532796 0.251875 0.638156} H5 193 -1 8 {} O 0.0 {0.534819 0.339585 0.673239} O7 194 -1 1 {} H 0.0 {0.54321 0.339308 0.668363} H6 195 -1 8 {} O 0.0 {0.624767 0.631223 0.620103} O1 196 -1 14 {} Si 0.0 {0.637815 0.638778 0.619185} Si1 197 -1 14 {} Si 0.0 {0.359653 0.677033 0.607589} Si2 198 -1 8 {} O 0.0 {0.37397 0.674026 0.6138} O2 199 -1 1 {} H 0.0 {0.338448 0.654272 0.575959} H1 200 -1 8 {} O 0.0 {0.347142 0.67919 0.616362} O3 201 -1 1 {} H 0.0 {0.338404 0.679356 0.610251} H2 202 -1 8 {} O 0.0 {0.499155 0.684924 0.548912} O4 203 -1 1 {} H 0.0 {0.501264 0.676766 0.553687} H3 204 -1 8 {} O 0.0 {0.650095 0.629517 0.614582} O5 205 -1 1 {} H 0.0 {0.617015 0.689899 0.608589} H4 206 -1 8 {} O 0.0 {0.63217 0.649245 0.610233} O6 207 -1 1 {} H 0.0 {0.62676 0.64596 0.597383} H5 208 -1 8 {} O 0.0 {0.642174 0.645977 0.632337} O7 209 -1 1 {} H 0.0 {0.651049 0.649617 0.631367} H6 210 -1 8 {} O 0.0 {0.467158 0.359154 0.386621} O1 211 -1 14 {} Si 0.0 {0.454038 0.353896 0.380603} Si1 212 -1 14 {} Si 0.0 {0.47701 0.36955 0.392767} Si2 213 -1 8 {} O 0.0 {0.475375 0.383641 0.387208} O2 214 -1 1 {} H 0.0 {0.470696 0.390428 0.392466} H1 215 -1 8 {} O 0.0 {0.496142 0.365139 0.390382} O3 216 -1 1 {} H 0.0 {0.501458 0.373197 0.389684} H2 217 -1 8 {} O 0.0 {0.473414 0.371361 0.408104} O4 218 -1 1 {} H 0.0 {0.466556 0.365124 0.411053} H3 219 -1 8 {} O 0.0 {0.441705 0.359235 0.388294} O5 220 -1 1 {} H 0.0 {0.444255 0.360269 0.397117} H4 221 -1 8 {} O 0.0 {0.452936 0.357217 0.365558} O6 222 -1 1 {} H 0.0 {0.456633 0.36576 0.364067} H5 223 -1 8 {} O 0.0 {0.454198 0.338131 0.383235} O7 224 -1 1 {} H 0.0 {0.460206 0.335812 0.389642} H6 225 -1 8 {} O 0.0 {0.586616 0.66214 0.50208} O1 226 -1 14 {} Si 0.0 {0.567551 0.291251 0.543691} Si1 227 -1 14 {} Si 0.0 {0.600518 0.66749 0.508613} Si2 228 -1 8 {} O 0.0 {0.607348 0.677325 0.497964} O2 229 -1 1 {} H 0.0 {0.610631 0.685432 0.502282} H1 230 -1 8 {} O 0.0 {0.607851 0.654013 0.511392} O3 231 -1 1 {} H 0.0 {0.614658 0.652379 0.504619} H2 232 -1 8 {} O 0.0 {0.601372 0.674521 0.523141} O4 233 -1 1 {} H 0.0 {0.594655 0.670608 0.529897} H3 234 -1 8 {} O 0.0 {0.561515 0.289718 0.529489} O5 235 -1 1 {} H 0.0 {0.551906 0.290608 0.529123} H4 236 -1 8 {} O 0.0 {0.557479 0.711906 0.390563} O6 237 -1 1 {} H 0.0 {0.562364 0.709098 0.398531} H5 238 -1 8 {} O 0.0 {0.562866 0.305862 0.546654} O7 239 -1 1 {} H 0.0 {0.5692 0.312963 0.544423} H6 240 -1 8 {} O 0.0 {0.568663 0.495651 0.611867} O1 241 -1 14 {} Si 0.0 {0.561837 0.504826 0.622037} Si1 242 -1 14 {} Si 0.0 {0.580757 0.486638 0.607148} Si2 243 -1 8 {} O 0.0 {0.593871 0.489746 0.614407} O2 244 -1 1 {} H 0.0 {0.593021 0.487852 0.623843} H1 245 -1 8 {} O 0.0 {0.582278 0.488323 0.591828} O3 246 -1 1 {} H 0.0 {0.578403 0.497046 0.589249} H2 247 -1 8 {} O 0.0 {0.58047 0.471252 0.60984} O4 248 -1 1 {} H 0.0 {0.584627 0.466336 0.60326} H3 249 -1 8 {} O 0.0 {0.547648 0.500099 0.625331} O5 250 -1 1 {} H 0.0 {0.546388 0.490442 0.622805} H4 251 -1 8 {} O 0.0 {0.569794 0.504323 0.635407} O6 252 -1 1 {} H 0.0 {0.568046 0.512218 0.640131} H5 253 -1 8 {} O 0.0 {0.561999 0.519352 0.616421} O7 254 -1 1 {} H 0.0 {0.555019 0.520303 0.609931} H6 255 -1 8 {} O 0.0 {0.604541 0.655198 0.648655} O1 256 -1 14 {} Si 0.0 {0.602198 0.670595 0.647499} Si1 257 -1 14 {} Si 0.0 {0.600168 0.639964 0.648852} Si2 258 -1 8 {} O 0.0 {0.60005 0.635529 0.633887} O2 259 -1 1 {} H 0.0 {0.609072 0.637155 0.630332} H1 260 -1 8 {} O 0.0 {0.586617 0.636713 0.656236} O3 261 -1 1 {} H 0.0 {0.585889 0.62561 0.657003} H2 262 -1 8 {} O 0.0 {0.611292 0.63103 0.654353} O4 263 -1 1 {} H 0.0 {0.619297 0.636919 0.656114} H3 264 -1 8 {} O 0.0 {0.589385 0.674358 0.643075} O5 265 -1 1 {} H 0.0 {0.571093 0.642996 0.648344} H4 266 -1 8 {} O 0.0 {0.540115 0.670348 0.480545} O6 267 -1 1 {} H 0.0 {0.535611 0.677119 0.475265} H5 268 -1 8 {} O 0.0 {0.612543 0.674905 0.638915} O7 269 -1 1 {} H 0.0 {0.655674 0.588576 0.647365} H6 270 -1 8 {} O 0.0 {0.531087 0.388925 0.478099} O1 271 -1 14 {} Si 0.0 {0.535979 0.385284 0.462517} Si1 272 -1 14 {} Si 0.0 {0.518452 0.390019 0.488011} Si2 273 -1 8 {} O 0.0 {0.513705 0.371962 0.483113} O2 274 -1 1 {} H 0.0 {0.519771 0.36627 0.488729} H1 275 -1 8 {} O 0.0 {0.510229 0.401145 0.479861} O3 276 -1 1 {} H 0.0 {0.51516 0.402041 0.470885} H2 277 -1 8 {} O 0.0 {0.528201 0.394632 0.500548} O4 278 -1 1 {} H 0.0 {0.537098 0.396612 0.496703} H3 279 -1 8 {} O 0.0 {0.529439 0.395174 0.452348} O5 280 -1 1 {} H 0.0 {0.534988 0.399014 0.445352} H4 281 -1 8 {} O 0.0 {0.551674 0.383464 0.459466} O6 282 -1 1 {} H 0.0 {0.55416 0.374622 0.456435} H5 283 -1 8 {} O 0.0 {0.528171 0.371018 0.461197} O7 284 -1 1 {} H 0.0 {0.521865 0.369955 0.469394} H6 285 -1 8 {} O 0.0 {0.354463 0.556559 0.511697} O1 286 -1 14 {} Si 0.0 {0.339944 0.556665 0.517848} Si1 287 -1 14 {} Si 0.0 {0.366718 0.560654 0.503728} Si2 288 -1 8 {} O 0.0 {0.363585 0.572458 0.493982} O2 289 -1 1 {} H 0.0 {0.368845 0.571181 0.485961} H1 290 -1 8 {} O 0.0 {0.372179 0.548622 0.496776} O3 291 -1 1 {} H 0.0 {0.372375 0.540766 0.502851} H2 292 -1 8 {} O 0.0 {0.378991 0.566825 0.51204} O4 293 -1 1 {} H 0.0 {0.380674 0.575926 0.509286} H3 294 -1 8 {} O 0.0 {0.330375 0.567217 0.510754} O5 295 -1 1 {} H 0.0 {0.329143 0.575292 0.516225} H4 296 -1 8 {} O 0.0 {0.332372 0.542651 0.515517} O6 297 -1 1 {} H 0.0 {0.326073 0.540768 0.523069} H5 298 -1 8 {} O 0.0 {0.341493 0.55966 0.533043} O7 299 -1 1 {} H 0.0 {0.34975 0.557783 0.536288} H6 300 -1 8 {} O 0.0 {0.349403 0.610116 0.57455} O1 301 -1 14 {} Si 0.0 {0.337424 0.615596 0.581849} Si1 302 -1 14 {} Si 0.0 {0.364461 0.606621 0.571732} Si2 303 -1 8 {} O 0.0 {0.367432 0.593257 0.578154} O2 304 -1 1 {} H 0.0 {0.368699 0.594828 0.588235} H1 305 -1 8 {} O 0.0 {0.374998 0.616591 0.578111} O3 306 -1 1 {} H 0.0 {0.370137 0.622196 0.58406} H2 307 -1 8 {} O 0.0 {0.366086 0.606721 0.556513} O4 308 -1 1 {} H 0.0 {0.375788 0.605469 0.554606} H3 309 -1 8 {} O 0.0 {0.32716 0.603999 0.582421} O5 310 -1 1 {} H 0.0 {0.330745 0.595061 0.582455} H4 311 -1 8 {} O 0.0 {0.340057 0.619212 0.596465} O6 312 -1 1 {} H 0.0 {0.38153 0.563819 0.605136} H5 313 -1 8 {} O 0.0 {0.330853 0.627496 0.573772} O7 314 -1 1 {} H 0.0 {0.334582 0.635913 0.577012} H6 315 -1 8 {} O 0.0 {0.642419 0.627483 0.392829} O1 316 -1 14 {} Si 0.0 {0.642011 0.634461 0.378914} Si1 317 -1 14 {} Si 0.0 {0.646091 0.616731 0.403428} Si2 318 -1 8 {} O 0.0 {0.635723 0.617507 0.415144} O2 319 -1 1 {} H 0.0 {0.62653 0.617348 0.412086} H1 320 -1 8 {} O 0.0 {0.661017 0.617252 0.407422} O3 321 -1 1 {} H 0.0 {0.675685 0.576115 0.370562} H2 322 -1 8 {} O 0.0 {0.642884 0.602731 0.396609} O4 323 -1 1 {} H 0.0 {0.641795 0.60444 0.386556} H3 324 -1 8 {} O 0.0 {0.629499 0.630182 0.370415} O5 325 -1 1 {} H 0.0 {0.622067 0.635891 0.372961} H4 326 -1 8 {} O 0.0 {0.643209 0.649477 0.382219} O6 327 -1 1 {} H 0.0 {0.652536 0.651995 0.383343} H5 328 -1 8 {} O 0.0 {0.655207 0.628304 0.372792} O7 329 -1 1 {} H 0.0 {0.65408 0.619256 0.368891} H6 330 -1 8 {} O 0.0 {0.667979 0.407941 0.472568} O1 331 -1 14 {} Si 0.0 {0.680092 0.417268 0.473283} Si1 332 -1 14 {} Si 0.0 {0.66687 0.437022 0.454564} Si2 333 -1 8 {} O 0.0 {0.617975 0.457178 0.422147} O2 334 -1 1 {} H 0.0 {0.507139 0.497659 0.401448} H1 335 -1 8 {} O 0.0 {0.664801 0.452152 0.450536} O3 336 -1 1 {} H 0.0 {0.665581 0.453195 0.441086} H2 337 -1 8 {} O 0.0 {0.673588 0.437198 0.473916} O4 338 -1 1 {} H 0.0 {0.665886 0.436905 0.480096} H3 339 -1 8 {} O 0.0 {0.639808 0.473697 0.430153} O5 340 -1 1 {} H 0.0 {0.64273 0.474509 0.439667} H4 341 -1 8 {} O 0.0 {0.688663 0.412194 0.461057} O6 342 -1 1 {} H 0.0 {0.680343 0.423142 0.446241} H5 343 -1 8 {} O 0.0 {0.685672 0.411428 0.486048} O7 344 -1 1 {} H 0.0 {0.68146 0.416114 0.494153} H6 345 -1 8 {} O 0.0 {0.574675 0.355929 0.625488} O1 346 -1 14 {} Si 0.0 {0.565733 0.361041 0.612387} Si1 347 -1 14 {} Si 0.0 {0.585721 0.350798 0.635372} Si2 348 -1 8 {} O 0.0 {0.585413 0.68857 0.618704} O2 349 -1 1 {} H 0.0 {0.567242 0.684605 0.612116} H1 350 -1 8 {} O 0.0 {0.595287 0.345 0.625211} O3 351 -1 1 {} H 0.0 {0.601594 0.349641 0.619611} H2 352 -1 8 {} O 0.0 {0.590769 0.36333 0.63879} O4 353 -1 1 {} H 0.0 {0.532769 0.664827 0.482194} H3 354 -1 8 {} O 0.0 {0.574316 0.371322 0.604148} O5 355 -1 1 {} H 0.0 {0.582482 0.373589 0.608524} H4 356 -1 8 {} O 0.0 {0.5563 0.351143 0.604086} O6 357 -1 1 {} H 0.0 {0.54725 0.355014 0.601787} H5 358 -1 8 {} O 0.0 {0.556462 0.370785 0.620497} O7 359 -1 1 {} H 0.0 {0.560713 0.3763 0.627543} H6 360 -1 8 {} O 0.0 {0.715913 0.581275 0.376082} O1 361 -1 14 {} Si 0.0 {0.717894 0.591323 0.388262} Si1 362 -1 14 {} Si 0.0 {0.721678 0.569308 0.3676} Si2 363 -1 8 {} O 0.0 {0.736301 0.569793 0.360946} O2 364 -1 1 {} H 0.0 {0.740372 0.561562 0.363169} H1 365 -1 8 {} O 0.0 {0.713368 0.568365 0.354048} O3 366 -1 1 {} H 0.0 {0.714816 0.576973 0.349488} H2 367 -1 8 {} O 0.0 {0.718226 0.555855 0.37444} O4 368 -1 1 {} H 0.0 {0.715766 0.554023 0.407327} H3 369 -1 8 {} O 0.0 {0.37854 0.664453 0.390357} O5 370 -1 1 {} H 0.0 {0.376719 0.673363 0.389593} H4 371 -1 8 {} O 0.0 {0.7138 0.583041 0.401837} O6 372 -1 1 {} H 0.0 {0.716663 0.573428 0.4013} H5 373 -1 8 {} O 0.0 {0.731773 0.590387 0.388844} O7 374 -1 1 {} H 0.0 {0.581399 0.563462 0.330492} H6 375 -1 8 {} O 0.0 {0.516931 0.365243 0.546292} O1 376 -1 14 {} Si 0.0 {0.51649 0.349621 0.547607} Si1 377 -1 14 {} Si 0.0 {0.513237 0.375841 0.53525} Si2 378 -1 8 {} O 0.0 {0.477643 0.393228 0.504462} O2 379 -1 1 {} H 0.0 {0.483041 0.396495 0.496486} H1 380 -1 8 {} O 0.0 {0.526507 0.377229 0.526989} O3 381 -1 1 {} H 0.0 {0.526308 0.382224 0.518153} H2 382 -1 8 {} O 0.0 {0.513082 0.389584 0.542912} O4 383 -1 1 {} H 0.0 {0.521945 0.394085 0.542683} H3 384 -1 8 {} O 0.0 {0.507954 0.345989 0.535202} O5 385 -1 1 {} H 0.0 {0.485545 0.322899 0.580512} H4 386 -1 8 {} O 0.0 {0.467623 0.333883 0.544331} O6 387 -1 1 {} H 0.0 {0.424548 0.382484 0.595084} H5 388 -1 8 {} O 0.0 {0.431357 0.38463 0.587881} O7 389 -1 1 {} H 0.0 {0.424569 0.383117 0.580824} H6 390 -1 8 {} O 0.0 {0.377356 0.440457 0.415247} O1 391 -1 14 {} Si 0.0 {0.365876 0.44836 0.407692} Si1 392 -1 14 {} Si 0.0 {0.386848 0.435881 0.426348} Si2 393 -1 8 {} O 0.0 {0.385532 0.41998 0.425017} O2 394 -1 1 {} H 0.0 {0.387876 0.416096 0.4164} H1 395 -1 8 {} O 0.0 {0.383405 0.440723 0.440774} O3 396 -1 1 {} H 0.0 {0.376985 0.435397 0.44491} H2 397 -1 8 {} O 0.0 {0.401152 0.442157 0.422925} O4 398 -1 1 {} H 0.0 {0.405931 0.44473 0.43073} H3 399 -1 8 {} O 0.0 {0.357229 0.458468 0.415133} O5 400 -1 1 {} H 0.0 {0.352054 0.453806 0.421663} H4 401 -1 8 {} O 0.0 {0.371354 0.45496 0.394394} O6 402 -1 1 {} H 0.0 {0.364929 0.4545 0.387121} H5 403 -1 8 {} O 0.0 {0.357238 0.436402 0.402349} O7 404 -1 1 {} H 0.0 {0.362794 0.428032 0.401811} H6 405 -1 8 {} O 0.0 {0.417616 0.374321 0.354198} O1 406 -1 14 {} Si 0.0 {0.420537 0.384873 0.343173} Si1 407 -1 14 {} Si 0.0 {0.420568 0.361859 0.363315} Si2 408 -1 8 {} O 0.0 {0.39612 0.342284 0.363132} O2 409 -1 1 {} H 0.0 {0.40416 0.3399 0.368192} H1 410 -1 8 {} O 0.0 {0.415276 0.35756 0.377267} O3 411 -1 1 {} H 0.0 {0.422172 0.356712 0.384031} H2 412 -1 8 {} O 0.0 {0.425603 0.349201 0.355252} O4 413 -1 1 {} H 0.0 {0.354748 0.381677 0.323326} H3 414 -1 8 {} O 0.0 {0.435763 0.386528 0.339196} O5 415 -1 1 {} H 0.0 {0.43732 0.385012 0.329683} H4 416 -1 8 {} O 0.0 {0.413672 0.378987 0.330001} O6 417 -1 1 {} H 0.0 {0.405377 0.38357 0.328717} H5 418 -1 8 {} O 0.0 {0.412851 0.397483 0.347887} O7 419 -1 1 {} H 0.0 {0.417782 0.400978 0.355331} H6 420 -1 8 {} O 0.0 {0.536628 0.341727 0.441106} O1 421 -1 14 {} Si 0.0 {0.54081 0.355511 0.432765} Si1 422 -1 14 {} Si 0.0 {0.537965 0.326242 0.442489} Si2 423 -1 8 {} O 0.0 {0.528971 0.320269 0.431983} O2 424 -1 1 {} H 0.0 {0.521894 0.314452 0.435278} H1 425 -1 8 {} O 0.0 {0.532703 0.321149 0.461091} O3 426 -1 1 {} H 0.0 {0.538492 0.326734 0.467932} H2 427 -1 8 {} O 0.0 {0.552323 0.32236 0.440736} O4 428 -1 1 {} H 0.0 {0.554577 0.320785 0.431777} H3 429 -1 8 {} O 0.0 {0.555137 0.360676 0.438211} O5 430 -1 1 {} H 0.0 {0.561135 0.361871 0.430362} H4 431 -1 8 {} O 0.0 {0.541485 0.352494 0.417436} O6 432 -1 1 {} H 0.0 {0.532843 0.351171 0.413014} H5 433 -1 8 {} O 0.0 {0.530877 0.367467 0.433541} O7 434 -1 1 {} H 0.0 {0.529609 0.369821 0.443362} H6 435 -1 8 {} O 0.0 {0.632017 0.631481 0.466668} O1 436 -1 14 {} Si 0.0 {0.634654 0.645214 0.473422} Si1 437 -1 14 {} Si 0.0 {0.622443 0.619215 0.463356} Si2 438 -1 8 {} O 0.0 {0.617576 0.61963 0.448192} O2 439 -1 1 {} H 0.0 {0.616765 0.610786 0.444072} H1 440 -1 8 {} O 0.0 {0.608819 0.621649 0.470615} O3 441 -1 1 {} H 0.0 {0.610694 0.628204 0.478011} H2 442 -1 8 {} O 0.0 {0.628656 0.605847 0.469016} O4 443 -1 1 {} H 0.0 {0.63396 0.606324 0.477073} H3 444 -1 8 {} O 0.0 {0.650447 0.645913 0.471942} O5 445 -1 1 {} H 0.0 {0.65282 0.645578 0.462194} H4 446 -1 8 {} O 0.0 {0.626398 0.65556 0.464726} O6 447 -1 1 {} H 0.0 {0.617297 0.654082 0.466235} H5 448 -1 8 {} O 0.0 {0.627394 0.645373 0.487432} O7 449 -1 1 {} H 0.0 {0.63153 0.63752 0.491929} H6 450 -1 8 {} O 0.0 {0.493564 0.520511 0.686168} O1 451 -1 14 {} Si 0.0 {0.503559 0.508671 0.690863} Si1 452 -1 14 {} Si 0.0 {0.488702 0.531382 0.675381} Si2 453 -1 8 {} O 0.0 {0.490166 0.527341 0.660442} O2 454 -1 1 {} H 0.0 {0.477968 0.52917 0.653477} H1 455 -1 8 {} O 0.0 {0.4983 0.54476 0.676354} O3 456 -1 1 {} H 0.0 {0.508252 0.541536 0.677663} H2 457 -1 8 {} O 0.0 {0.473525 0.53375 0.678752} O4 458 -1 1 {} H 0.0 {0.466944 0.526886 0.674242} H3 459 -1 8 {} O 0.0 {0.499731 0.49715 0.681037} O5 460 -1 1 {} H 0.0 {0.497124 0.499353 0.67148} H4 461 -1 8 {} O 0.0 {0.366982 0.666107 0.31809} O6 462 -1 1 {} H 0.0 {0.375234 0.668461 0.321314} H5 463 -1 8 {} O 0.0 {0.516053 0.512679 0.686749} O7 464 -1 1 {} H 0.0 {0.472202 0.503895 0.640214} H6 465 -1 8 {} O 0.0 {0.436656 0.34511 0.587379} O1 466 -1 14 {} Si 0.0 {0.442666 0.348961 0.573237} Si1 467 -1 14 {} Si 0.0 {0.436254 0.334908 0.599736} Si2 468 -1 8 {} O 0.0 {0.448536 0.325972 0.603077} O2 469 -1 1 {} H 0.0 {0.401759 0.356739 0.598322} H1 470 -1 8 {} O 0.0 {0.427861 0.322442 0.594737} O3 471 -1 1 {} H 0.0 {0.421249 0.320378 0.601847} H2 472 -1 8 {} O 0.0 {0.428499 0.341501 0.612171} O4 473 -1 1 {} H 0.0 {0.406504 0.32167 0.649508} H3 474 -1 8 {} O 0.0 {0.432835 0.356143 0.562902} O5 475 -1 1 {} H 0.0 {0.424019 0.351656 0.564165} H4 476 -1 8 {} O 0.0 {0.456574 0.356188 0.57239} O6 477 -1 1 {} H 0.0 {0.456175 0.364046 0.578437} H5 478 -1 8 {} O 0.0 {0.446436 0.336587 0.564717} O7 479 -1 1 {} H 0.0 {0.455457 0.336988 0.561932} H6 480 -1 8 {} O 0.0 {0.491585 0.701354 0.570931} O1 481 -1 14 {} Si 0.0 {0.556623 0.272511 0.564956} Si1 482 -1 14 {} Si 0.0 {0.477625 0.697225 0.578325} Si2 483 -1 8 {} O 0.0 {0.472703 0.684265 0.571723} O2 484 -1 1 {} H 0.0 {0.524533 0.31318 0.608374} H1 485 -1 8 {} O 0.0 {0.465308 0.706648 0.580828} O3 486 -1 1 {} H 0.0 {0.467539 0.714617 0.586235} H2 487 -1 8 {} O 0.0 {0.48246 0.693 0.592908} O4 488 -1 1 {} H 0.0 {0.481832 0.683313 0.593995} H3 489 -1 8 {} O 0.0 {0.549379 0.260161 0.558543} O5 490 -1 1 {} H 0.0 {0.549837 0.253301 0.565456} H4 491 -1 8 {} O 0.0 {0.570446 0.271009 0.572026} O6 492 -1 1 {} H 0.0 {0.494028 0.695276 0.563423} H5 493 -1 8 {} O 0.0 {0.546015 0.278884 0.574863} O7 494 -1 1 {} H 0.0 {0.53976 0.283685 0.570541} H6 495 -1 8 {} O 0.0 {0.682292 0.624125 0.397588} O1 496 -1 14 {} Si 0.0 {0.692658 0.622686 0.385545} Si1 497 -1 14 {} Si 0.0 {0.675587 0.620316 0.410973} Si2 498 -1 8 {} O 0.0 {0.617463 0.325326 0.354658} O2 499 -1 1 {} H 0.0 {0.625697 0.320857 0.357779} H1 500 -1 8 {} O 0.0 {0.681219 0.632949 0.427892} O3 501 -1 1 {} H 0.0 {0.595804 0.66391 0.574206} H2 502 -1 8 {} O 0.0 {0.64929 0.620168 0.441712} O4 503 -1 1 {} H 0.0 {0.641118 0.623317 0.447303} H3 504 -1 8 {} O 0.0 {0.699246 0.636829 0.387027} O5 505 -1 1 {} H 0.0 {0.69432 0.643857 0.382503} H4 506 -1 8 {} O 0.0 {0.70115 0.606538 0.388363} O6 507 -1 1 {} H 0.0 {0.697632 0.602987 0.396425} H5 508 -1 8 {} O 0.0 {0.683435 0.623034 0.37322} O7 509 -1 1 {} H 0.0 {0.674097 0.624908 0.376455} H6 510 -1 8 {} O 0.0 {0.391648 0.328212 0.572626} O1 511 -1 14 {} Si 0.0 {0.390026 0.312863 0.574475} Si1 512 -1 14 {} Si 0.0 {0.391756 0.343768 0.573257} Si2 513 -1 8 {} O 0.0 {0.380015 0.351062 0.566596} O2 514 -1 1 {} H 0.0 {0.376622 0.359513 0.564192} H1 515 -1 8 {} O 0.0 {0.404195 0.350073 0.565183} O3 516 -1 1 {} H 0.0 {0.453246 0.323397 0.594898} H2 517 -1 8 {} O 0.0 {0.394591 0.348454 0.587794} O4 518 -1 1 {} H 0.0 {0.37679 0.368689 0.538633} H3 519 -1 8 {} O 0.0 {0.400829 0.303669 0.567554} O5 520 -1 1 {} H 0.0 {0.403782 0.308395 0.558985} H4 521 -1 8 {} O 0.0 {0.388236 0.310708 0.590088} O6 522 -1 1 {} H 0.0 {0.406523 0.3451 0.557186} H5 523 -1 8 {} O 0.0 {0.376647 0.310652 0.566498} O7 524 -1 1 {} H 0.0 {0.356243 0.331342 0.479619} H6 525 -1 8 {} O 0.0 {0.672265 0.560556 0.463801} O1 526 -1 14 {} Si 0.0 {0.677456 0.553015 0.451002} Si1 527 -1 14 {} Si 0.0 {0.674814 0.565998 0.478796} Si2 528 -1 8 {} O 0.0 {0.683343 0.578809 0.476711} O2 529 -1 1 {} H 0.0 {0.681975 0.585494 0.483139} H1 530 -1 8 {} O 0.0 {0.314622 0.653528 0.509788} O3 531 -1 1 {} H 0.0 {0.31919 0.645621 0.507243} H2 532 -1 8 {} O 0.0 {0.655969 0.571951 0.485437} O4 533 -1 1 {} H 0.0 {0.650864 0.573417 0.476875} H3 534 -1 8 {} O 0.0 {0.681249 0.538777 0.456571} O5 535 -1 1 {} H 0.0 {0.679675 0.537535 0.465684} H4 536 -1 8 {} O 0.0 {0.665349 0.554306 0.441321} O6 537 -1 1 {} H 0.0 {0.657441 0.556629 0.446374} H5 538 -1 8 {} O 0.0 {0.688021 0.562447 0.443303} O7 539 -1 1 {} H 0.0 {0.32455 0.616599 0.47949} H6 540 -1 8 {} O 0.0 {0.668948 0.644341 0.445283} O1 541 -1 14 {} Si 0.0 {0.324476 0.602563 0.397898} Si1 542 -1 14 {} Si 0.0 {0.682746 0.637884 0.442711} Si2 543 -1 8 {} O 0.0 {0.372649 0.738903 0.405823} O2 544 -1 1 {} H 0.0 {0.298169 0.576455 0.46341} H1 545 -1 8 {} O 0.0 {0.658525 0.536726 0.637814} O3 546 -1 1 {} H 0.0 {0.653696 0.529404 0.632989} H2 547 -1 8 {} O 0.0 {0.682274 0.59941 0.439887} O4 548 -1 1 {} H 0.0 {0.55072 0.311804 0.560313} H3 549 -1 8 {} O 0.0 {0.311066 0.605954 0.396428} O5 550 -1 1 {} H 0.0 {0.691216 0.568978 0.449581} H4 551 -1 8 {} O 0.0 {0.33759 0.59837 0.378251} O6 552 -1 1 {} H 0.0 {0.346206 0.595196 0.381276} H5 553 -1 8 {} O 0.0 {0.329798 0.609163 0.411084} O7 554 -1 1 {} H 0.0 {0.37204 0.647341 0.388336} H6 555 -1 8 {} O 0.0 {0.362271 0.64792 0.626308} O1 556 -1 14 {} Si 0.0 {0.366788 0.633819 0.63147} Si1 557 -1 14 {} Si 0.0 {0.350464 0.656619 0.622173} Si2 558 -1 8 {} O 0.0 {0.337495 0.649619 0.634421} O2 559 -1 1 {} H 0.0 {0.342913 0.643703 0.64042} H1 560 -1 8 {} O 0.0 {0.519711 0.260011 0.56172} O3 561 -1 1 {} H 0.0 {0.426018 0.336335 0.634205} H2 562 -1 8 {} O 0.0 {0.363319 0.303539 0.62904} O4 563 -1 1 {} H 0.0 {0.358232 0.312125 0.627796} H3 564 -1 8 {} O 0.0 {0.347698 0.648666 0.607868} O5 565 -1 1 {} H 0.0 {0.468547 0.648509 0.31389} H4 566 -1 8 {} O 0.0 {0.495937 0.690601 0.386808} O6 567 -1 1 {} H 0.0 {0.504088 0.687058 0.39118} H5 568 -1 8 {} O 0.0 {0.357061 0.632342 0.643938} O7 569 -1 1 {} H 0.0 {0.355768 0.622937 0.645794} H6 570 -1 8 {} O 0.0 {0.530376 0.670714 0.445727} O1 571 -1 14 {} Si 0.0 {0.521896 0.683094 0.450053} Si1 572 -1 14 {} Si 0.0 {0.543917 0.662594 0.444869} Si2 573 -1 8 {} O 0.0 {0.553545 0.666574 0.456399} O2 574 -1 1 {} H 0.0 {0.54999 0.665076 0.46439} H1 575 -1 8 {} O 0.0 {0.551547 0.662314 0.431608} O3 576 -1 1 {} H 0.0 {0.546495 0.668387 0.425249} H2 577 -1 8 {} O 0.0 {0.53942 0.647496 0.446411} O4 578 -1 1 {} H 0.0 {0.533121 0.645101 0.43935} H3 579 -1 8 {} O 0.0 {0.523608 0.690865 0.46313} O5 580 -1 1 {} H 0.0 {0.51506 0.694884 0.465472} H4 581 -1 8 {} O 0.0 {0.519754 0.693624 0.438347} O6 582 -1 1 {} H 0.0 {0.522263 0.689868 0.429398} H5 583 -1 8 {} O 0.0 {0.506823 0.678148 0.451088} O7 584 -1 1 {} H 0.0 {0.500632 0.683131 0.445772} H6 585 -1 8 {} O 0.0 {0.67545 0.365305 0.34584} O1 586 -1 14 {} Si 0.0 {0.673399 0.369253 0.361076} Si1 587 -1 14 {} Si 0.0 {0.689284 0.357665 0.344447} Si2 588 -1 8 {} O 0.0 {0.693335 0.368291 0.333522} O2 589 -1 1 {} H 0.0 {0.689072 0.366085 0.324862} H1 590 -1 8 {} O 0.0 {0.684527 0.344654 0.336683} O3 591 -1 1 {} H 0.0 {0.676096 0.341299 0.340322} H2 592 -1 8 {} O 0.0 {0.688642 0.36572 0.366435} O4 593 -1 1 {} H 0.0 {0.687941 0.366914 0.376738} H3 594 -1 8 {} O 0.0 {0.66816 0.391405 0.367018} O5 595 -1 1 {} H 0.0 {0.673216 0.399849 0.365528} H4 596 -1 8 {} O 0.0 {0.666596 0.424722 0.605557} O6 597 -1 1 {} H 0.0 {0.657201 0.42395 0.605673} H5 598 -1 8 {} O 0.0 {0.517691 0.29101 0.651724} O7 599 -1 1 {} H 0.0 {0.520101 0.299853 0.654301} H6 600 -1 8 {} O 0.0 {0.465031 0.559231 0.469348} O1 601 -1 14 {} Si 0.0 {0.469217 0.549235 0.457237} Si1 602 -1 14 {} Si 0.0 {0.462066 0.572953 0.475197} Si2 603 -1 8 {} O 0.0 {0.472283 0.585007 0.473606} O2 604 -1 1 {} H 0.0 {0.473692 0.588528 0.482819} H1 605 -1 8 {} O 0.0 {0.459436 0.570413 0.490265} O3 606 -1 1 {} H 0.0 {0.452435 0.575694 0.49347} H2 607 -1 8 {} O 0.0 {0.448627 0.578803 0.46908} O4 608 -1 1 {} H 0.0 {0.45108 0.58325 0.460687} H3 609 -1 8 {} O 0.0 {0.45619 0.539722 0.454883} O5 610 -1 1 {} H 0.0 {0.449834 0.541531 0.461585} H4 611 -1 8 {} O 0.0 {0.472378 0.558817 0.445051} O6 612 -1 1 {} H 0.0 {0.48187 0.561376 0.445538} H5 613 -1 8 {} O 0.0 {0.482999 0.544358 0.462508} O7 614 -1 1 {} H 0.0 {0.483844 0.545621 0.472552} H6 615 -1 8 {} O 0.0 {0.680268 0.525461 0.421685} O1 616 -1 14 {} Si 0.0 {0.667105 0.519659 0.427286} Si1 617 -1 14 {} Si 0.0 {0.692642 0.52793 0.412664} Si2 618 -1 8 {} O 0.0 {0.704348 0.520019 0.419224} O2 619 -1 1 {} H 0.0 {0.705728 0.510525 0.416159} H1 620 -1 8 {} O 0.0 {0.696052 0.543219 0.411968} O3 621 -1 1 {} H 0.0 {0.692269 0.547693 0.419464} H2 622 -1 8 {} O 0.0 {0.68931 0.524295 0.397727} O4 623 -1 1 {} H 0.0 {0.690783 0.514904 0.395473} H3 624 -1 8 {} O 0.0 {0.656271 0.530419 0.424624} O5 625 -1 1 {} H 0.0 {0.659127 0.539263 0.428192} H4 626 -1 8 {} O 0.0 {0.662645 0.506431 0.420027} O6 627 -1 1 {} H 0.0 {0.670757 0.501051 0.416862} H5 628 -1 8 {} O 0.0 {0.667276 0.516566 0.442211} O7 629 -1 1 {} H 0.0 {0.674048 0.521979 0.4463} H6 630 -1 8 {} O 0.0 {0.580048 0.407274 0.519931} O1 631 -1 14 {} Si 0.0 {0.593165 0.415466 0.518726} Si1 632 -1 14 {} Si 0.0 {0.56553 0.400974 0.516701} Si2 633 -1 8 {} O 0.0 {0.56083 0.393526 0.529309} O2 634 -1 1 {} H 0.0 {0.567834 0.390704 0.535657} H1 635 -1 8 {} O 0.0 {0.556016 0.413926 0.515315} O3 636 -1 1 {} H 0.0 {0.559324 0.418634 0.507631} H2 637 -1 8 {} O 0.0 {0.563121 0.390032 0.505478} O4 638 -1 1 {} H 0.0 {0.561914 0.381366 0.50974} H3 639 -1 8 {} O 0.0 {0.600732 0.410551 0.53196} O5 640 -1 1 {} H 0.0 {0.602564 0.418056 0.537927} H4 641 -1 8 {} O 0.0 {0.603413 0.414181 0.506326} O6 642 -1 1 {} H 0.0 {0.603709 0.42235 0.501568} H5 643 -1 8 {} O 0.0 {0.589604 0.430282 0.522203} O7 644 -1 1 {} H 0.0 {0.585766 0.434292 0.529996} H6 645 -1 8 {} O 0.0 {0.573445 0.540679 0.575493} O1 646 -1 14 {} Si 0.0 {0.577381 0.555876 0.570279} Si1 647 -1 14 {} Si 0.0 {0.597295 0.563375 0.592145} Si2 648 -1 8 {} O 0.0 {0.604631 0.577239 0.591217} O2 649 -1 1 {} H 0.0 {0.604674 0.581675 0.600039} H1 650 -1 8 {} O 0.0 {0.605455 0.550675 0.599285} O3 651 -1 1 {} H 0.0 {0.609392 0.577164 0.571144} H2 652 -1 8 {} O 0.0 {0.591037 0.558743 0.578564} O4 653 -1 1 {} H 0.0 {0.564876 0.592741 0.587457} H3 654 -1 8 {} O 0.0 {0.565454 0.566761 0.571654} O5 655 -1 1 {} H 0.0 {0.616135 0.560061 0.680193} H4 656 -1 8 {} O 0.0 {0.579401 0.523695 0.529377} O6 657 -1 1 {} H 0.0 {0.5887 0.521741 0.527695} H5 658 -1 8 {} O 0.0 {0.529506 0.55353 0.648646} O7 659 -1 1 {} H 0.0 {0.525037 0.560629 0.643808} H6 660 -1 8 {} O 0.0 {0.384822 0.47859 0.576566} O1 661 -1 14 {} Si 0.0 {0.393639 0.484491 0.565376} Si1 662 -1 14 {} Si 0.0 {0.377412 0.468618 0.584841} Si2 663 -1 8 {} O 0.0 {0.36676 0.474481 0.595243} O2 664 -1 1 {} H 0.0 {0.413263 0.461382 0.608224} H1 665 -1 8 {} O 0.0 {0.367454 0.460656 0.575081} O3 666 -1 1 {} H 0.0 {0.358498 0.460157 0.579831} H2 667 -1 8 {} O 0.0 {0.390542 0.52344 0.569611} O4 668 -1 1 {} H 0.0 {0.391586 0.514594 0.565921} H3 669 -1 8 {} O 0.0 {0.394828 0.424109 0.616922} O5 670 -1 1 {} H 0.0 {0.392626 0.42643 0.626039} H4 671 -1 8 {} O 0.0 {0.400073 0.473363 0.556631} O6 672 -1 1 {} H 0.0 {0.404829 0.468021 0.563315} H5 673 -1 8 {} O 0.0 {0.403484 0.49412 0.572583} O7 674 -1 1 {} H 0.0 {0.399167 0.498481 0.5799} H6 675 -1 8 {} O 0.0 {0.680177 0.418517 0.391114} O1 676 -1 14 {} Si 0.0 {0.889238 0.521891 0.603742} Si1 677 -1 14 {} Si 0.0 {0.670715 0.419392 0.381217} Si2 678 -1 8 {} O 0.0 {0.677265 0.419231 0.366724} O2 679 -1 1 {} H 0.0 {0.675186 0.427461 0.361848} H1 680 -1 8 {} O 0.0 {0.532765 0.656817 0.533387} O3 681 -1 1 {} H 0.0 {0.614726 0.347489 0.440857} H2 682 -1 8 {} O 0.0 {0.548627 0.57962 0.358712} O4 683 -1 1 {} H 0.0 {0.528113 0.656934 0.525018} H3 684 -1 8 {} O 0.0 {0.875891 0.521473 0.598076} O5 685 -1 1 {} H 0.0 {0.539258 0.579787 0.362598} H4 686 -1 8 {} O 0.0 {0.895623 0.509287 0.599696} O6 687 -1 1 {} H 0.0 {0.896694 0.508724 0.589805} H5 688 -1 8 {} O 0.0 {0.920519 0.547464 0.583917} O7 689 -1 1 {} H 0.0 {0.540922 0.652956 0.531758} H6 690 -1 8 {} O 0.0 {0.515488 0.545213 0.542831} O1 691 -1 14 {} Si 0.0 {0.527809 0.551779 0.535542} Si1 692 -1 14 {} Si 0.0 {0.501886 0.546521 0.551988} Si2 693 -1 8 {} O 0.0 {0.508713 0.548173 0.565663} O2 694 -1 1 {} H 0.0 {0.518071 0.544529 0.56576} H1 695 -1 8 {} O 0.0 {0.492752 0.534556 0.554441} O3 696 -1 1 {} H 0.0 {0.494771 0.526673 0.560491} H2 697 -1 8 {} O 0.0 {0.494448 0.560464 0.548813} O4 698 -1 1 {} H 0.0 {0.49955 0.56921 0.548477} H3 699 -1 8 {} O 0.0 {0.540541 0.546331 0.542695} O5 700 -1 1 {} H 0.0 {0.538449 0.541905 0.552002} H4 701 -1 8 {} O 0.0 {0.526856 0.54662 0.52074} O6 702 -1 1 {} H 0.0 {0.533727 0.539426 0.519845} H5 703 -1 8 {} O 0.0 {0.528178 0.567412 0.536144} O7 704 -1 1 {} H 0.0 {0.520383 0.571407 0.532423} H6 705 -1 8 {} O 0.0 {0.536193 0.534936 0.332177} O1 706 -1 14 {} Si 0.0 {0.541948 0.544863 0.342968} Si1 707 -1 14 {} Si 0.0 {0.529275 0.533262 0.318386} Si2 708 -1 8 {} O 0.0 {0.528434 0.547828 0.31328} O2 709 -1 1 {} H 0.0 {0.519331 0.549132 0.309759} H1 710 -1 8 {} O 0.0 {0.515453 0.527237 0.321031} O3 711 -1 1 {} H 0.0 {0.513099 0.528738 0.329771} H2 712 -1 8 {} O 0.0 {0.537039 0.524495 0.308913} O4 713 -1 1 {} H 0.0 {0.543618 0.519531 0.313525} H3 714 -1 8 {} O 0.0 {0.542521 0.55971 0.337083} O5 715 -1 1 {} H 0.0 {0.542115 0.558634 0.327258} H4 716 -1 8 {} O 0.0 {0.533087 0.544016 0.355797} O6 717 -1 1 {} H 0.0 {0.538064 0.542619 0.364106} H5 718 -1 8 {} O 0.0 {0.5567 0.542787 0.347306} O7 719 -1 1 {} H 0.0 {0.55875 0.53269 0.346348} H6 720 -1 8 {} O 0.0 {0.529006 0.461812 0.596586} O1 721 -1 14 {} Si 0.0 {0.526447 0.466765 0.611374} Si1 722 -1 14 {} Si 0.0 {0.536595 0.453013 0.586188} Si2 723 -1 8 {} O 0.0 {0.55027 0.458697 0.581829} O2 724 -1 1 {} H 0.0 {0.556161 0.451394 0.579129} H1 725 -1 8 {} O 0.0 {0.529844 0.452847 0.571674} O3 726 -1 1 {} H 0.0 {0.536989 0.486871 0.558083} H2 727 -1 8 {} O 0.0 {0.537782 0.437729 0.589805} O4 728 -1 1 {} H 0.0 {0.528868 0.434504 0.592978} H3 729 -1 8 {} O 0.0 {0.516407 0.47867 0.610768} O5 730 -1 1 {} H 0.0 {0.511607 0.523959 0.612765} H4 731 -1 8 {} O 0.0 {0.51871 0.454958 0.61726} O6 732 -1 1 {} H 0.0 {0.510807 0.452285 0.612813} H5 733 -1 8 {} O 0.0 {0.540241 0.471786 0.617299} O7 734 -1 1 {} H 0.0 {0.545236 0.464139 0.619841} H6 735 -1 8 {} O 0.0 {0.490726 0.566088 0.416539} O1 736 -1 14 {} Si 0.0 {0.503408 0.56628 0.425102} Si1 737 -1 14 {} Si 0.0 {0.478936 0.564334 0.406777} Si2 738 -1 8 {} O 0.0 {0.467107 0.558096 0.415316} O2 739 -1 1 {} H 0.0 {0.469344 0.557992 0.42518} H1 740 -1 8 {} O 0.0 {0.482064 0.555285 0.394509} O3 741 -1 1 {} H 0.0 {0.487423 0.560419 0.387884} H2 742 -1 8 {} O 0.0 {0.472485 0.57822 0.404061} O4 743 -1 1 {} H 0.0 {0.474861 0.585732 0.408659} H3 744 -1 8 {} O 0.0 {0.501017 0.562708 0.439757} O5 745 -1 1 {} H 0.0 {0.508685 0.564148 0.445413} H4 746 -1 8 {} O 0.0 {0.514391 0.556376 0.420192} O6 747 -1 1 {} H 0.0 {0.510326 0.55077 0.413111} H5 748 -1 8 {} O 0.0 {0.508593 0.580805 0.423887} O7 749 -1 1 {} H 0.0 {0.513788 0.583452 0.43186} H6 750 -1 8 {} O 0.0 {0.507119 0.406585 0.421566} O1 751 -1 14 {} Si 0.0 {0.502534 0.392586 0.426582} Si1 752 -1 14 {} Si 0.0 {0.511212 0.421448 0.419171} Si2 753 -1 8 {} O 0.0 {0.519567 0.427014 0.43124} O2 754 -1 1 {} H 0.0 {0.516059 0.435938 0.434658} H1 755 -1 8 {} O 0.0 {0.501702 0.43279 0.413101} O3 756 -1 1 {} H 0.0 {0.498334 0.430379 0.40428} H2 757 -1 8 {} O 0.0 {0.520147 0.419978 0.40684} O4 758 -1 1 {} H 0.0 {0.521889 0.410776 0.404281} H3 759 -1 8 {} O 0.0 {0.510852 0.381496 0.419166} O5 760 -1 1 {} H 0.0 {0.516958 0.377538 0.425422} H4 761 -1 8 {} O 0.0 {0.48769 0.38909 0.422218} O6 762 -1 1 {} H 0.0 {0.487669 0.380912 0.416884} H5 763 -1 8 {} O 0.0 {0.504071 0.390593 0.442501} O7 764 -1 1 {} H 0.0 {0.513015 0.388604 0.446271} H6 765 -1 8 {} O 0.0 {0.463374 0.477173 0.474635} O1 766 -1 14 {} Si 0.0 {0.477449 0.477932 0.48073} Si1 767 -1 14 {} Si 0.0 {0.450558 0.491329 0.47427} Si2 768 -1 8 {} O 0.0 {0.439717 0.481075 0.467354} O2 769 -1 1 {} H 0.0 {0.444965 0.47506 0.461711} H1 770 -1 8 {} O 0.0 {0.450812 0.501886 0.462118} O3 771 -1 1 {} H 0.0 {0.445798 0.498405 0.454882} H2 772 -1 8 {} O 0.0 {0.442336 0.497016 0.488061} O4 773 -1 1 {} H 0.0 {0.449099 0.502207 0.493093} H3 774 -1 8 {} O 0.0 {0.495182 0.488318 0.487727} O5 775 -1 1 {} H 0.0 {0.496995 0.493738 0.480346} H4 776 -1 8 {} O 0.0 {0.476844 0.465253 0.490243} O6 777 -1 1 {} H 0.0 {0.48025 0.457217 0.485552} H5 778 -1 8 {} O 0.0 {0.484383 0.473062 0.467256} O7 779 -1 1 {} H 0.0 {0.477627 0.471893 0.460418} H6 780 -1 8 {} O 0.0 {0.587359 0.489524 0.670723} O1 781 -1 14 {} Si 0.0 {0.582633 0.496769 0.683896} Si1 782 -1 14 {} Si 0.0 {0.598744 0.487914 0.659806} Si2 783 -1 8 {} O 0.0 {0.592658 0.489417 0.645094} O2 784 -1 1 {} H 0.0 {0.584266 0.495016 0.646176} H1 785 -1 8 {} O 0.0 {0.58502 0.6628 0.541229} O3 786 -1 1 {} H 0.0 {0.607597 0.508902 0.350445} H2 787 -1 8 {} O 0.0 {0.607212 0.500688 0.660834} O4 788 -1 1 {} H 0.0 {0.446712 0.546088 0.32073} H3 789 -1 8 {} O 0.0 {0.584267 0.486551 0.695441} O5 790 -1 1 {} H 0.0 {0.614186 0.499991 0.653539} H4 791 -1 8 {} O 0.0 {0.610235 0.500003 0.353324} O6 792 -1 1 {} H 0.0 {0.647508 0.521373 0.405996} H5 793 -1 8 {} O 0.0 {0.568049 0.502783 0.679913} O7 794 -1 1 {} H 0.0 {0.449532 0.534156 0.313008} H6 795 -1 8 {} O 0.0 {0.585701 0.364283 0.558441} O1 796 -1 14 {} Si 0.0 {0.579582 0.377642 0.563428} Si1 797 -1 14 {} Si 0.0 {0.592109 0.350083 0.561034} Si2 798 -1 8 {} O 0.0 {0.58125 0.343369 0.570826} O2 799 -1 1 {} H 0.0 {0.57287 0.343048 0.565456} H1 800 -1 8 {} O 0.0 {0.605502 0.35171 0.568137} O3 801 -1 1 {} H 0.0 {0.607947 0.361237 0.567893} H2 802 -1 8 {} O 0.0 {0.594149 0.344691 0.546386} O4 803 -1 1 {} H 0.0 {0.592966 0.352477 0.540139} H3 804 -1 8 {} O 0.0 {0.578221 0.388861 0.552127} O5 805 -1 1 {} H 0.0 {0.574615 0.397411 0.555749} H4 806 -1 8 {} O 0.0 {0.565864 0.374708 0.569471} O6 807 -1 1 {} H 0.0 {0.562766 0.366003 0.567391} H5 808 -1 8 {} O 0.0 {0.587448 0.381459 0.575889} O7 809 -1 1 {} H 0.0 {0.583221 0.377666 0.583905} H6 810 -1 8 {} O 0.0 {0.341457 0.532596 0.628938} O1 811 -1 14 {} Si 0.0 {0.357622 0.522531 0.638177} Si1 812 -1 14 {} Si 0.0 {0.326831 0.533367 0.624686} Si2 813 -1 8 {} O 0.0 {0.32075 0.541798 0.636006} O2 814 -1 1 {} H 0.0 {0.3118 0.544271 0.633379} H1 815 -1 8 {} O 0.0 {0.319962 0.519529 0.626214} O3 816 -1 1 {} H 0.0 {0.355879 0.540934 0.654029} H2 817 -1 8 {} O 0.0 {0.647198 0.47929 0.60469} O4 818 -1 1 {} H 0.0 {0.651254 0.483198 0.596842} H3 819 -1 8 {} O 0.0 {0.3535 0.509868 0.647009} O5 820 -1 1 {} H 0.0 {0.361493 0.504045 0.649594} H4 821 -1 8 {} O 0.0 {0.363535 0.538295 0.649855} O6 822 -1 1 {} H 0.0 {0.330956 0.45055 0.621847} H5 823 -1 8 {} O 0.0 {0.371763 0.520754 0.631788} O7 824 -1 1 {} H 0.0 {0.37932 0.51079 0.641741} H6 825 -1 8 {} O 0.0 {0.444995 0.664657 0.345977} O1 826 -1 14 {} Si 0.0 {0.446059 0.675919 0.356624} Si1 827 -1 14 {} Si 0.0 {0.440483 0.65638 0.333319} Si2 828 -1 8 {} O 0.0 {0.392513 0.670532 0.332337} O2 829 -1 1 {} H 0.0 {0.394087 0.674356 0.341331} H1 830 -1 8 {} O 0.0 {0.430232 0.665547 0.325461} O3 831 -1 1 {} H 0.0 {0.495923 0.681317 0.372013} H2 832 -1 8 {} O 0.0 {0.435156 0.64237 0.335153} O4 833 -1 1 {} H 0.0 {0.439524 0.636242 0.341743} H3 834 -1 8 {} O 0.0 {0.460218 0.682028 0.357686} O5 835 -1 1 {} H 0.0 {0.467346 0.675203 0.355794} H4 836 -1 8 {} O 0.0 {0.435919 0.687413 0.353895} O6 837 -1 1 {} H 0.0 {0.437421 0.695583 0.359503} H5 838 -1 8 {} O 0.0 {0.438828 0.671942 0.369962} O7 839 -1 1 {} H 0.0 {0.433108 0.664287 0.368679} H6 840 -1 8 {} O 0.0 {0.66671 0.388052 0.392021} O1 841 -1 14 {} Si 0.0 {0.675667 0.381151 0.402419} Si1 842 -1 14 {} Si 0.0 {0.658596 0.39182 0.379581} Si2 843 -1 8 {} O 0.0 {0.645841 0.381885 0.37768} O2 844 -1 1 {} H 0.0 {0.643323 0.377326 0.385871} H1 845 -1 8 {} O 0.0 {0.326592 0.358663 0.386131} O3 846 -1 1 {} H 0.0 {0.32133 0.362484 0.39552} H2 847 -1 8 {} O 0.0 {0.651609 0.411017 0.383623} O4 848 -1 1 {} H 0.0 {0.649265 0.412258 0.392541} H3 849 -1 8 {} O 0.0 {0.665498 0.377373 0.413636} O5 850 -1 1 {} H 0.0 {0.307146 0.435233 0.426108} H4 851 -1 8 {} O 0.0 {0.683701 0.369267 0.396823} O6 852 -1 1 {} H 0.0 {0.689981 0.365974 0.403446} H5 853 -1 8 {} O 0.0 {0.685829 0.391785 0.407731} O7 854 -1 1 {} H 0.0 {0.684363 0.399994 0.403426} H6 855 -1 8 {} O 0.0 {0.587108 0.485669 0.480379} O1 856 -1 14 {} Si 0.0 {0.57226 0.489642 0.478934} Si1 857 -1 14 {} Si 0.0 {0.601258 0.482604 0.484744} Si2 858 -1 8 {} O 0.0 {0.60882 0.493506 0.493503} O2 859 -1 1 {} H 0.0 {0.61752 0.493923 0.49039} H1 860 -1 8 {} O 0.0 {0.61059 0.476312 0.474166} O3 861 -1 1 {} H 0.0 {0.608101 0.466883 0.47232} H2 862 -1 8 {} O 0.0 {0.600074 0.471395 0.495291} O4 863 -1 1 {} H 0.0 {0.592795 0.473989 0.501368} H3 864 -1 8 {} O 0.0 {0.565815 0.488682 0.493547} O5 865 -1 1 {} H 0.0 {0.563874 0.497554 0.497237} H4 866 -1 8 {} O 0.0 {0.568867 0.503932 0.473518} O6 867 -1 1 {} H 0.0 {0.573332 0.51179 0.478559} H5 868 -1 8 {} O 0.0 {0.562842 0.476583 0.466348} O7 869 -1 1 {} H 0.0 {0.555237 0.481681 0.462761} H6 870 -1 8 {} O 0.0 {0.424843 0.408283 0.64858} O1 871 -1 14 {} Si 0.0 {0.416832 0.403861 0.661057} Si1 872 -1 14 {} Si 0.0 {0.429234 0.411515 0.633119} Si2 873 -1 8 {} O 0.0 {0.441461 0.402828 0.629469} O2 874 -1 1 {} H 0.0 {0.453433 0.311342 0.619271} H1 875 -1 8 {} O 0.0 {0.433127 0.427174 0.633106} O3 876 -1 1 {} H 0.0 {0.42514 0.432862 0.634695} H2 877 -1 8 {} O 0.0 {0.417158 0.407942 0.624284} O4 878 -1 1 {} H 0.0 {0.411181 0.413986 0.61918} H3 879 -1 8 {} O 0.0 {0.424986 0.390248 0.66493} O5 880 -1 1 {} H 0.0 {0.416859 0.376587 0.655239} H4 881 -1 8 {} O 0.0 {0.419066 0.416756 0.670298} O6 882 -1 1 {} H 0.0 {0.428959 0.419452 0.670644} H5 883 -1 8 {} O 0.0 {0.401946 0.403938 0.655347} O7 884 -1 1 {} H 0.0 {0.395594 0.38596 0.651839} H6 885 -1 8 {} O 0.0 {0.382146 0.384173 0.562108} O1 886 -1 14 {} Si 0.0 {0.397322 0.386894 0.562229} Si1 887 -1 14 {} Si 0.0 {0.36861 0.381158 0.554257} Si2 888 -1 8 {} O 0.0 {0.369503 0.368495 0.545592} O2 889 -1 1 {} H 0.0 {0.359104 0.349091 0.544466} H1 890 -1 8 {} O 0.0 {0.364084 0.392005 0.543898} O3 891 -1 1 {} H 0.0 {0.354174 0.392726 0.543816} H2 892 -1 8 {} O 0.0 {0.35681 0.379185 0.563359} O4 893 -1 1 {} H 0.0 {0.352312 0.371155 0.560648} H3 894 -1 8 {} O 0.0 {0.4047 0.378123 0.572949} O5 895 -1 1 {} H 0.0 {0.401356 0.368795 0.571682} H4 896 -1 8 {} O 0.0 {0.404104 0.383694 0.548754} O6 897 -1 1 {} H 0.0 {0.413874 0.384742 0.549587} H5 898 -1 8 {} O 0.0 {0.399443 0.402467 0.565989} O7 899 -1 1 {} H 0.0 {0.401542 0.406321 0.557278} H6 900 -1 8 {} O 0.0 {0.583188 0.614778 0.552752} O1 901 -1 14 {} Si 0.0 {0.579679 0.603598 0.563682} Si1 902 -1 14 {} Si 0.0 {0.588445 0.624321 0.541285} Si2 903 -1 8 {} O 0.0 {0.577643 0.635298 0.537635} O2 904 -1 1 {} H 0.0 {0.574346 0.635642 0.528744} H1 905 -1 8 {} O 0.0 {0.592243 0.614655 0.52992} O3 906 -1 1 {} H 0.0 {0.585889 0.607077 0.528566} H2 907 -1 8 {} O 0.0 {0.602139 0.632723 0.548301} O4 908 -1 1 {} H 0.0 {0.60092 0.632028 0.558414} H3 909 -1 8 {} O 0.0 {0.593032 0.602526 0.572922} O5 910 -1 1 {} H 0.0 {0.600694 0.598275 0.567395} H4 911 -1 8 {} O 0.0 {0.567304 0.604153 0.572684} O6 912 -1 1 {} H 0.0 {0.559766 0.610117 0.569461} H5 913 -1 8 {} O 0.0 {0.576264 0.590236 0.556337} O7 914 -1 1 {} H 0.0 {0.573505 0.591085 0.546598} H6 915 -1 8 {} O 0.0 {0.474846 0.654277 0.456783} O1 916 -1 14 {} Si 0.0 {0.486793 0.645218 0.451946} Si1 917 -1 14 {} Si 0.0 {0.462343 0.65606 0.466887} Si2 918 -1 8 {} O 0.0 {0.451975 0.675412 0.463195} O2 919 -1 1 {} H 0.0 {0.446405 0.676285 0.471388} H1 920 -1 8 {} O 0.0 {0.468935 0.656617 0.479089} O3 921 -1 1 {} H 0.0 {0.465004 0.678254 0.510472} H2 922 -1 8 {} O 0.0 {0.454301 0.642077 0.467325} O4 923 -1 1 {} H 0.0 {0.460264 0.63466 0.464176} H3 924 -1 8 {} O 0.0 {0.487242 0.644848 0.436638} O5 925 -1 1 {} H 0.0 {0.482132 0.637254 0.433346} H4 926 -1 8 {} O 0.0 {0.500952 0.649324 0.455425} O6 927 -1 1 {} H 0.0 {0.502403 0.658708 0.453859} H5 928 -1 8 {} O 0.0 {0.484651 0.630748 0.45728} O7 929 -1 1 {} H 0.0 {0.493227 0.627909 0.461212} H6 930 -1 8 {} O 0.0 {0.610667 0.527326 0.320287} O1 931 -1 14 {} Si 0.0 {0.604029 0.524777 0.306201} Si1 932 -1 14 {} Si 0.0 {0.616826 0.536148 0.331788} Si2 933 -1 8 {} O 0.0 {0.609005 0.531435 0.344622} O2 934 -1 1 {} H 0.0 {0.605623 0.539473 0.349123} H1 935 -1 8 {} O 0.0 {0.617562 0.551453 0.331294} O3 936 -1 1 {} H 0.0 {0.62044 0.558985 0.326928} H2 937 -1 8 {} O 0.0 {0.631085 0.53081 0.33355} O4 938 -1 1 {} H 0.0 {0.633412 0.523849 0.326717} H3 939 -1 8 {} O 0.0 {0.592725 0.533616 0.299904} O5 940 -1 1 {} H 0.0 {0.584472 0.528989 0.301352} H4 941 -1 8 {} O 0.0 {0.615219 0.522351 0.295765} O6 942 -1 1 {} H 0.0 {0.617934 0.51293 0.296075} H5 943 -1 8 {} O 0.0 {0.595642 0.511157 0.307426} O7 944 -1 1 {} H 0.0 {0.60196 0.503361 0.307167} H6 945 -1 8 {} O 0.0 {0.546278 0.390941 0.598599} O1 946 -1 14 {} Si 0.0 {0.555251 0.403231 0.602384} Si1 947 -1 14 {} Si 0.0 {0.533272 0.384246 0.593162} Si2 948 -1 8 {} O 0.0 {0.529878 0.37206 0.6021} O2 949 -1 1 {} H 0.0 {0.525392 0.375199 0.610413} H1 950 -1 8 {} O 0.0 {0.53766 0.380348 0.578733} O3 951 -1 1 {} H 0.0 {0.546918 0.381488 0.576554} H2 952 -1 8 {} O 0.0 {0.522468 0.395038 0.59188} O4 953 -1 1 {} H 0.0 {0.518573 0.394319 0.583004} H3 954 -1 8 {} O 0.0 {0.570137 0.400838 0.603506} O5 955 -1 1 {} H 0.0 {0.57179 0.391545 0.605974} H4 956 -1 8 {} O 0.0 {0.553426 0.413154 0.590081} O6 957 -1 1 {} H 0.0 {0.54767 0.420405 0.592158} H5 958 -1 8 {} O 0.0 {0.551764 0.411056 0.61545} O7 959 -1 1 {} H 0.0 {0.555442 0.420072 0.615633} H6 960 -1 8 {} O 0.0 {0.323317 0.457654 0.408648} O1 961 -1 14 {} Si 0.0 {0.320612 0.460823 0.393447} Si1 962 -1 14 {} Si 0.0 {0.695536 0.487822 0.40342} Si2 963 -1 8 {} O 0.0 {0.680688 0.486494 0.408284} O2 964 -1 1 {} H 0.0 {0.678166 0.477281 0.411628} H1 965 -1 8 {} O 0.0 {0.704087 0.49147 0.413766} O3 966 -1 1 {} H 0.0 {0.668072 0.49689 0.367141} H2 967 -1 8 {} O 0.0 {0.696105 0.497906 0.393611} O4 968 -1 1 {} H 0.0 {0.334576 0.568747 0.491805} H3 969 -1 8 {} O 0.0 {0.325502 0.474268 0.386231} O5 970 -1 1 {} H 0.0 {0.607311 0.444091 0.431747} H4 971 -1 8 {} O 0.0 {0.304908 0.462645 0.394687} O6 972 -1 1 {} H 0.0 {0.300885 0.468646 0.400812} H5 973 -1 8 {} O 0.0 {0.604476 0.436249 0.436474} O7 974 -1 1 {} H 0.0 {0.609541 0.429236 0.433023} H6 975 -1 8 {} O 0.0 {0.424511 0.566679 0.637934} O1 976 -1 14 {} Si 0.0 {0.433331 0.564248 0.650756} Si1 977 -1 14 {} Si 0.0 {0.411583 0.572516 0.631497} Si2 978 -1 8 {} O 0.0 {0.404651 0.560931 0.623577} O2 979 -1 1 {} H 0.0 {0.332985 0.624698 0.599541} H1 980 -1 8 {} O 0.0 {0.41746 0.581812 0.6202} O3 981 -1 1 {} H 0.0 {0.426603 0.579126 0.618531} H2 982 -1 8 {} O 0.0 {0.404488 0.579805 0.64284} O4 983 -1 1 {} H 0.0 {0.408394 0.577869 0.651494} H3 984 -1 8 {} O 0.0 {0.44803 0.56928 0.648043} O5 985 -1 1 {} H 0.0 {0.451735 0.562959 0.642048} H4 986 -1 8 {} O 0.0 {0.426405 0.569465 0.663755} O6 987 -1 1 {} H 0.0 {0.433208 0.572256 0.670248} H5 988 -1 8 {} O 0.0 {0.433415 0.549288 0.652464} O7 989 -1 1 {} H 0.0 {0.426907 0.54663 0.659041} H6 990 -1 8 {} O 0.0 {0.607246 0.311376 0.538505} O1 991 -1 14 {} Si 0.0 {0.593537 0.304569 0.534986} Si1 992 -1 14 {} Si 0.0 {0.621462 0.316359 0.544881} Si2 993 -1 8 {} O 0.0 {0.623236 0.315222 0.56086} O2 994 -1 1 {} H 0.0 {0.605311 0.351357 0.513186} H1 995 -1 8 {} O 0.0 {0.623853 0.331628 0.541882} O3 996 -1 1 {} H 0.0 {0.640961 0.336008 0.533085} H2 997 -1 8 {} O 0.0 {0.633595 0.309227 0.537989} O4 998 -1 1 {} H 0.0 {0.640187 0.313604 0.531808} H3 999 -1 8 {} O 0.0 {0.594623 0.299001 0.521161} O5 1000 -1 1 {} H 0.0 {0.591276 0.304946 0.514788} H4 1001 -1 8 {} O 0.0 {0.587567 0.28945 0.547541} O6 1002 -1 1 {} H 0.0 {0.588839 0.293171 0.557078} H5 1003 -1 8 {} O 0.0 {0.584635 0.317269 0.536278} O7 1004 -1 1 {} H 0.0 {0.584761 0.665906 0.493013} H6 1005 -1 8 {} O 0.0 {0.426519 0.644981 0.395883} O1 1006 -1 14 {} Si 0.0 {0.417785 0.65014 0.408047} Si1 1007 -1 14 {} Si 0.0 {0.392436 0.599841 0.406954} Si2 1008 -1 8 {} O 0.0 {0.382379 0.603086 0.39505} O2 1009 -1 1 {} H 0.0 {0.388547 0.604891 0.387542} H1 1010 -1 8 {} O 0.0 {0.384068 0.594741 0.418474} O3 1011 -1 1 {} H 0.0 {0.381946 0.585454 0.41693} H2 1012 -1 8 {} O 0.0 {0.401838 0.588291 0.402961} O4 1013 -1 1 {} H 0.0 {0.408355 0.592232 0.396705} H3 1014 -1 8 {} O 0.0 {0.381826 0.594942 0.452109} O5 1015 -1 1 {} H 0.0 {0.380013 0.588627 0.44519} H4 1016 -1 8 {} O 0.0 {0.412297 0.663654 0.402384} O6 1017 -1 1 {} H 0.0 {0.416806 0.672063 0.405928} H5 1018 -1 8 {} O 0.0 {0.425713 0.653557 0.420775} O7 1019 -1 1 {} H 0.0 {0.338351 0.615256 0.410042} H6 1020 -1 8 {} O 0.0 {0.47122 0.687542 0.413365} O1 1021 -1 14 {} Si 0.0 {0.479068 0.69882 0.420226} Si1 1022 -1 14 {} Si 0.0 {0.464218 0.677015 0.403745} Si2 1023 -1 8 {} O 0.0 {0.450776 0.682493 0.39931} O2 1024 -1 1 {} H 0.0 {0.462682 0.698916 0.375412} H1 1025 -1 8 {} O 0.0 {0.461171 0.661424 0.408822} O3 1026 -1 1 {} H 0.0 {0.469881 0.655998 0.409172} H2 1027 -1 8 {} O 0.0 {0.473955 0.676197 0.392184} O4 1028 -1 1 {} H 0.0 {0.488844 0.68586 0.391726} H3 1029 -1 8 {} O 0.0 {0.485895 0.706935 0.408831} O5 1030 -1 1 {} H 0.0 {0.489027 0.701406 0.40178} H4 1031 -1 8 {} O 0.0 {0.47144 0.709325 0.429117} O6 1032 -1 1 {} H 0.0 {0.477033 0.717053 0.43112} H5 1033 -1 8 {} O 0.0 {0.48981 0.691111 0.428183} O7 1034 -1 1 {} H 0.0 {0.498741 0.695212 0.427116} H6 1035 -1 8 {} O 0.0 {0.506067 0.366157 0.336556} O1 1036 -1 14 {} Si 0.0 {0.505011 0.37687 0.347538} Si1 1037 -1 14 {} Si 0.0 {0.395122 0.689519 0.36971} Si2 1038 -1 8 {} O 0.0 {0.392538 0.689615 0.356093} O2 1039 -1 1 {} H 0.0 {0.422419 0.66095 0.322562} H1 1040 -1 8 {} O 0.0 {0.381794 0.692303 0.377368} O3 1041 -1 1 {} H 0.0 {0.574624 0.702159 0.41393} H2 1042 -1 8 {} O 0.0 {0.410368 0.418544 0.323771} O4 1043 -1 1 {} H 0.0 {0.418453 0.423529 0.321156} H3 1044 -1 8 {} O 0.0 {0.421909 0.331731 0.641762} O5 1045 -1 1 {} H 0.0 {0.415434 0.337869 0.645131} H4 1046 -1 8 {} O 0.0 {0.494381 0.387188 0.343465} O6 1047 -1 1 {} H 0.0 {0.497771 0.394182 0.337651} H5 1048 -1 8 {} O 0.0 {0.569738 0.694973 0.414029} O7 1049 -1 1 {} H 0.0 {0.51569 0.311655 0.36175} H6 1050 -1 8 {} O 0.0 {0.574399 0.573327 0.660697} O1 1051 -1 14 {} Si 0.0 {0.569042 0.564085 0.649186} Si1 1052 -1 14 {} Si 0.0 {0.578326 0.577279 0.674576} Si2 1053 -1 8 {} O 0.0 {0.491249 0.510748 0.310333} O2 1054 -1 1 {} H 0.0 {0.484423 0.509888 0.317354} H1 1055 -1 8 {} O 0.0 {0.564938 0.573701 0.683003} O3 1056 -1 1 {} H 0.0 {0.556109 0.580102 0.679062} H2 1057 -1 8 {} O 0.0 {0.58151 0.591974 0.675747} O4 1058 -1 1 {} H 0.0 {0.552582 0.576014 0.647052} H3 1059 -1 8 {} O 0.0 {0.563701 0.550877 0.656002} O5 1060 -1 1 {} H 0.0 {0.57015 0.511518 0.677127} H4 1061 -1 8 {} O 0.0 {0.558737 0.571655 0.641267} O6 1062 -1 1 {} H 0.0 {0.536637 0.593145 0.651746} H5 1063 -1 8 {} O 0.0 {0.580925 0.558333 0.639997} O7 1064 -1 1 {} H 0.0 {0.610336 0.567602 0.638116} H6 1065 -1 8 {} O 0.0 {0.336713 0.455578 0.61538} O1 1066 -1 14 {} Si 0.0 {0.330594 0.45318 0.600187} Si1 1067 -1 14 {} Si 0.0 {0.655995 0.468177 0.647508} Si2 1068 -1 8 {} O 0.0 {0.665481 0.465769 0.637877} O2 1069 -1 1 {} H 0.0 {0.58366 0.415023 0.59788} H1 1070 -1 8 {} O 0.0 {0.652085 0.483471 0.645376} O3 1071 -1 1 {} H 0.0 {0.643906 0.484725 0.639181} H2 1072 -1 8 {} O 0.0 {0.348329 0.45884 0.338646} O4 1073 -1 1 {} H 0.0 {0.349845 0.486478 0.32463} H3 1074 -1 8 {} O 0.0 {0.319807 0.462255 0.593781} O5 1075 -1 1 {} H 0.0 {0.322206 0.471953 0.59414} H4 1076 -1 8 {} O 0.0 {0.341614 0.450582 0.590776} O6 1077 -1 1 {} H 0.0 {0.348911 0.437012 0.585581} H5 1078 -1 8 {} O 0.0 {0.325429 0.438396 0.599129} O7 1079 -1 1 {} H 0.0 {0.596357 0.461411 0.675051} H6 1080 -1 8 {} O 0.0 {0.447196 0.537492 0.364267} O1 1081 -1 14 {} Si 0.0 {0.450047 0.546927 0.351983} Si1 1082 -1 14 {} Si 0.0 {0.4487 0.523954 0.372575} Si2 1083 -1 8 {} O 0.0 {0.463105 0.522462 0.377484} O2 1084 -1 1 {} H 0.0 {0.46392 0.523428 0.38758} H1 1085 -1 8 {} O 0.0 {0.445662 0.511309 0.363579} O3 1086 -1 1 {} H 0.0 {0.441591 0.504638 0.368977} H2 1087 -1 8 {} O 0.0 {0.438208 0.522323 0.383922} O4 1088 -1 1 {} H 0.0 {0.432288 0.530141 0.384005} H3 1089 -1 8 {} O 0.0 {0.447374 0.561169 0.357213} O5 1090 -1 1 {} H 0.0 {0.444831 0.561264 0.36681} H4 1091 -1 8 {} O 0.0 {0.465207 0.545523 0.347332} O6 1092 -1 1 {} H 0.0 {0.467338 0.553179 0.341642} H5 1093 -1 8 {} O 0.0 {0.440622 0.543247 0.339742} O7 1094 -1 1 {} H 0.0 {0.431492 0.545915 0.341382} H6 1095 -1 8 {} O 0.0 {0.513102 0.426492 0.319717} O1 1096 -1 14 {} Si 0.0 {0.499672 0.420889 0.325524} Si1 1097 -1 14 {} Si 0.0 {0.527899 0.430636 0.320987} Si2 1098 -1 8 {} O 0.0 {0.534245 0.436395 0.307601} O2 1099 -1 1 {} H 0.0 {0.529303 0.444933 0.305018} H1 1100 -1 8 {} O 0.0 {0.535927 0.417665 0.325828} O3 1101 -1 1 {} H 0.0 {0.52884 0.410693 0.326129} H2 1102 -1 8 {} O 0.0 {0.530681 0.44211 0.33127} O4 1103 -1 1 {} H 0.0 {0.534103 0.438099 0.338935} H3 1104 -1 8 {} O 0.0 {0.502432 0.417685 0.34056} O5 1105 -1 1 {} H 0.0 {0.510125 0.422533 0.343494} H4 1106 -1 8 {} O 0.0 {0.488957 0.432868 0.326259} O6 1107 -1 1 {} H 0.0 {0.464344 0.396359 0.355936} H5 1108 -1 8 {} O 0.0 {0.495942 0.406988 0.320543} O7 1109 -1 1 {} H 0.0 {0.503825 0.402464 0.316223} H6 1110 -1 8 {} O 0.0 {0.404497 0.327593 0.445474} O1 1111 -1 14 {} Si 0.0 {0.381029 0.688777 0.525901} Si1 1112 -1 14 {} Si 0.0 {0.400679 0.331222 0.431065} Si2 1113 -1 8 {} O 0.0 {0.436367 0.713522 0.422724} O2 1114 -1 1 {} H 0.0 {0.439436 0.711548 0.431496} H1 1115 -1 8 {} O 0.0 {0.395512 0.346195 0.43259} O3 1116 -1 1 {} H 0.0 {0.401973 0.352723 0.436422} H2 1117 -1 8 {} O 0.0 {0.414106 0.332426 0.423772} O4 1118 -1 1 {} H 0.0 {0.422692 0.335317 0.427629} H3 1119 -1 8 {} O 0.0 {0.392085 0.681359 0.521911} O5 1120 -1 1 {} H 0.0 {0.404851 0.714504 0.423653} H4 1121 -1 8 {} O 0.0 {0.370859 0.697051 0.530716} O6 1122 -1 1 {} H 0.0 {0.355508 0.350415 0.440943} H5 1123 -1 8 {} O 0.0 {0.283679 0.426717 0.480877} O7 1124 -1 1 {} H 0.0 {0.277129 0.428586 0.487616} H6 1125 -1 8 {} O 0.0 {0.580264 0.400642 0.389128} O1 1126 -1 14 {} Si 0.0 {0.570064 0.389423 0.393442} Si1 1127 -1 14 {} Si 0.0 {0.587973 0.413923 0.388745} Si2 1128 -1 8 {} O 0.0 {0.587768 0.421665 0.402523} O2 1129 -1 1 {} H 0.0 {0.582727 0.430525 0.402326} H1 1130 -1 8 {} O 0.0 {0.583074 0.422357 0.376678} O3 1131 -1 1 {} H 0.0 {0.573701 0.422668 0.37593} H2 1132 -1 8 {} O 0.0 {0.602851 0.40975 0.386415} O4 1133 -1 1 {} H 0.0 {0.605533 0.412408 0.377473} H3 1134 -1 8 {} O 0.0 {0.578815 0.377626 0.398794} O5 1135 -1 1 {} H 0.0 {0.587437 0.381695 0.402263} H4 1136 -1 8 {} O 0.0 {0.559205 0.3939 0.403451} O6 1137 -1 1 {} H 0.0 {0.550538 0.392385 0.399812} H5 1138 -1 8 {} O 0.0 {0.563658 0.384885 0.379966} O7 1139 -1 1 {} H 0.0 {0.513682 0.386975 0.313891} H6 1140 -1 8 {} O 0.0 {0.388004 0.494846 0.400858} O1 1141 -1 14 {} Si 0.0 {0.395326 0.48512 0.390744} Si1 1142 -1 14 {} Si 0.0 {0.384489 0.508221 0.408208} Si2 1143 -1 8 {} O 0.0 {0.397299 0.518107 0.409175} O2 1144 -1 1 {} H 0.0 {0.404976 0.513147 0.412562} H1 1145 -1 8 {} O 0.0 {0.379647 0.504243 0.421812} O3 1146 -1 1 {} H 0.0 {0.369873 0.501589 0.421699} H2 1147 -1 8 {} O 0.0 {0.373615 0.517051 0.401222} O4 1148 -1 1 {} H 0.0 {0.371075 0.524287 0.406396} H3 1149 -1 8 {} O 0.0 {0.400274 0.472889 0.399298} O5 1150 -1 1 {} H 0.0 {0.399709 0.463794 0.396173} H4 1151 -1 8 {} O 0.0 {0.385448 0.478109 0.380869} O6 1152 -1 1 {} H 0.0 {0.295295 0.505213 0.51057} H5 1153 -1 8 {} O 0.0 {0.405855 0.493179 0.382858} O7 1154 -1 1 {} H 0.0 {0.379026 0.471901 0.385379} H6 1155 -1 8 {} O 0.0 {0.614169 0.474918 0.397764} O1 1156 -1 14 {} Si 0.0 {0.606716 0.464189 0.406551} Si1 1157 -1 14 {} Si 0.0 {0.594912 0.502055 0.442339} Si2 1158 -1 8 {} O 0.0 {0.676167 0.431465 0.443453} O2 1159 -1 1 {} H 0.0 {0.312226 0.0865497 0.636631} H1 1160 -1 8 {} O 0.0 {0.608387 0.49664 0.436707} O3 1161 -1 1 {} H 0.0 {0.612357 0.502542 0.430039} H2 1162 -1 8 {} O 0.0 {0.599157 0.51329 0.451568} O4 1163 -1 1 {} H 0.0 {0.602211 0.520363 0.445778} H3 1164 -1 8 {} O 0.0 {0.602753 0.470444 0.425842} O5 1165 -1 1 {} H 0.0 {0.606897 0.478753 0.426957} H4 1166 -1 8 {} O 0.0 {0.613274 0.450961 0.399123} O6 1167 -1 1 {} H 0.0 {0.615797 0.444755 0.40571} H5 1168 -1 8 {} O 0.0 {0.591462 0.46214 0.402812} O7 1169 -1 1 {} H 0.0 {0.586655 0.467901 0.408977} H6 1170 -1 8 {} O 0.0 {0.544648 0.319751 0.594696} O1 1171 -1 14 {} Si 0.0 {0.54614 0.312863 0.608731} Si1 1172 -1 14 {} Si 0.0 {0.542424 0.324587 0.579476} Si2 1173 -1 8 {} O 0.0 {0.526583 0.327009 0.578545} O2 1174 -1 1 {} H 0.0 {0.521602 0.322421 0.585189} H1 1175 -1 8 {} O 0.0 {0.54743 0.314758 0.568928} O3 1176 -1 1 {} H 0.0 {0.573778 0.27949 0.574328} H2 1177 -1 8 {} O 0.0 {0.550862 0.337763 0.579133} O4 1178 -1 1 {} H 0.0 {0.553776 0.341368 0.588013} H3 1179 -1 8 {} O 0.0 {0.556185 0.322829 0.615786} O5 1180 -1 1 {} H 0.0 {0.554856 0.33198 0.612556} H4 1181 -1 8 {} O 0.0 {0.531601 0.313473 0.614589} O6 1182 -1 1 {} H 0.0 {0.867637 0.518389 0.603445} H5 1183 -1 8 {} O 0.0 {0.552673 0.2987 0.608365} O7 1184 -1 1 {} H 0.0 {0.556015 0.29785 0.599072} H6 1185 -1 8 {} O 0.0 {0.387616 0.385401 0.396703} O1 1186 -1 14 {} Si 0.0 {0.389226 0.400609 0.394026} Si1 1187 -1 14 {} Si 0.0 {0.388702 0.371492 0.403189} Si2 1188 -1 8 {} O 0.0 {0.385961 0.372527 0.418578} O2 1189 -1 1 {} H 0.0 {0.3898 0.364361 0.423154} H1 1190 -1 8 {} O 0.0 {0.374981 0.357904 0.395646} O3 1191 -1 1 {} H 0.0 {0.375967 0.357319 0.385382} H2 1192 -1 8 {} O 0.0 {0.403972 0.367886 0.401346} O4 1193 -1 1 {} H 0.0 {0.406244 0.366407 0.391477} H3 1194 -1 8 {} O 0.0 {0.391944 0.405612 0.379362} O5 1195 -1 1 {} H 0.0 {0.396389 0.414163 0.379955} H4 1196 -1 8 {} O 0.0 {0.375599 0.40796 0.398466} O6 1197 -1 1 {} H 0.0 {0.368688 0.405446 0.391776} H5 1198 -1 8 {} O 0.0 {0.400765 0.405346 0.403813} O7 1199 -1 1 {} H 0.0 {0.404016 0.397278 0.4082} H6 1200 -1 8 {} O 0.0 {0.464339 0.51555 0.427039} O1 1201 -1 14 {} Si 0.0 {0.454432 0.523492 0.417922} Si1 1202 -1 14 {} Si 0.0 {0.475708 0.505602 0.430937} Si2 1203 -1 8 {} O 0.0 {0.475605 0.504206 0.446332} O2 1204 -1 1 {} H 0.0 {0.466388 0.503809 0.450103} H1 1205 -1 8 {} O 0.0 {0.489407 0.510859 0.426579} O3 1206 -1 1 {} H 0.0 {0.494635 0.514374 0.434314} H2 1207 -1 8 {} O 0.0 {0.472026 0.491557 0.426497} O4 1208 -1 1 {} H 0.0 {0.475636 0.489999 0.416767} H3 1209 -1 8 {} O 0.0 {0.462834 0.530296 0.406906} O5 1210 -1 1 {} H 0.0 {0.464306 0.540013 0.409205} H4 1211 -1 8 {} O 0.0 {0.445025 0.512778 0.410851} O6 1212 -1 1 {} H 0.0 {0.445576 0.514914 0.401095} H5 1213 -1 8 {} O 0.0 {0.446626 0.533631 0.42685} O7 1214 -1 1 {} H 0.0 {0.449009 0.532525 0.436412} H6 1215 -1 8 {} O 0.0 {0.585911 0.547928 0.468244} O1 1216 -1 14 {} Si 0.0 {0.593589 0.539384 0.479008} Si1 1217 -1 14 {} Si 0.0 {0.581318 0.555465 0.455806} Si2 1218 -1 8 {} O 0.0 {0.589847 0.568402 0.456879} O2 1219 -1 1 {} H 0.0 {0.583934 0.576703 0.458825} H1 1220 -1 8 {} O 0.0 {0.566169 0.558323 0.455028} O3 1221 -1 1 {} H 0.0 {0.561885 0.554895 0.46343} H2 1222 -1 8 {} O 0.0 {0.585641 0.54814 0.442539} O4 1223 -1 1 {} H 0.0 {0.578068 0.543985 0.43708} H3 1224 -1 8 {} O 0.0 {0.608901 0.541552 0.478544} O5 1225 -1 1 {} H 0.0 {0.610886 0.54886 0.472933} H4 1226 -1 8 {} O 0.0 {0.589811 0.545906 0.493722} O6 1227 -1 1 {} H 0.0 {0.581101 0.549893 0.493394} H5 1228 -1 8 {} O 0.0 {0.59024 0.52476 0.478032} O7 1229 -1 1 {} H 0.0 {0.59331 0.52036 0.469914} H6 1230 -1 8 {} O 0.0 {0.568842 0.470739 0.541148} O1 1231 -1 14 {} Si 0.0 {0.569681 0.480375 0.553975} Si1 1232 -1 14 {} Si 0.0 {0.5685 0.469022 0.525754} Si2 1233 -1 8 {} O 0.0 {0.561471 0.455961 0.521499} O2 1234 -1 1 {} H 0.0 {0.553758 0.453767 0.526473} H1 1235 -1 8 {} O 0.0 {0.582708 0.469906 0.519309} O3 1236 -1 1 {} H 0.0 {0.588536 0.473829 0.526071} H2 1237 -1 8 {} O 0.0 {0.559071 0.479277 0.519446} O4 1238 -1 1 {} H 0.0 {0.561855 0.48254 0.510892} H3 1239 -1 8 {} O 0.0 {0.579194 0.474981 0.564008} O5 1240 -1 1 {} H 0.0 {0.579808 0.480489 0.572103} H4 1241 -1 8 {} O 0.0 {0.574153 0.494715 0.549608} O6 1242 -1 1 {} H 0.0 {0.583859 0.494263 0.548439} H5 1243 -1 8 {} O 0.0 {0.556203 0.480646 0.561148} O7 1244 -1 1 {} H 0.0 {0.555868 0.473858 0.568294} H6 1245 -1 8 {} O 0.0 {0.431204 0.606591 0.495187} O1 1246 -1 14 {} Si 0.0 {0.44148 0.617918 0.490885} Si1 1247 -1 14 {} Si 0.0 {0.424991 0.59484 0.502988} Si2 1248 -1 8 {} O 0.0 {0.412226 0.590251 0.495757} O2 1249 -1 1 {} H 0.0 {0.411175 0.593854 0.486401} H1 1250 -1 8 {} O 0.0 {0.42019 0.598355 0.51757} O3 1251 -1 1 {} H 0.0 {0.419508 0.590573 0.52399} H2 1252 -1 8 {} O 0.0 {0.435878 0.583135 0.502835} O4 1253 -1 1 {} H 0.0 {0.4324 0.574581 0.500569} H3 1254 -1 8 {} O 0.0 {0.452502 0.610509 0.4829} O5 1255 -1 1 {} H 0.0 {0.454357 0.615357 0.475134} H4 1256 -1 8 {} O 0.0 {0.434004 0.626338 0.479562} O6 1257 -1 1 {} H 0.0 {0.440811 0.631517 0.474526} H5 1258 -1 8 {} O 0.0 {0.449074 0.625768 0.502663} O7 1259 -1 1 {} H 0.0 {0.503349 0.602242 0.549393} H6 1260 -1 8 {} O 0.0 {0.623692 0.520247 0.420361} O1 1261 -1 14 {} Si 0.0 {0.62903 0.511244 0.408149} Si1 1262 -1 14 {} Si 0.0 {0.618353 0.533647 0.42577} Si2 1263 -1 8 {} O 0.0 {0.628942 0.544049 0.421461} O2 1264 -1 1 {} H 0.0 {0.637985 0.540052 0.421091} H1 1265 -1 8 {} O 0.0 {0.618407 0.532451 0.441665} O3 1266 -1 1 {} H 0.0 {0.624278 0.53945 0.444958} H2 1267 -1 8 {} O 0.0 {0.604548 0.538228 0.422217} O4 1268 -1 1 {} H 0.0 {0.600349 0.543744 0.428926} H3 1269 -1 8 {} O 0.0 {0.617364 0.505092 0.400257} O5 1270 -1 1 {} H 0.0 {0.61661 0.495268 0.401168} H4 1271 -1 8 {} O 0.0 {0.640109 0.518409 0.400117} O6 1272 -1 1 {} H 0.0 {0.6502 0.531032 0.38744} H5 1273 -1 8 {} O 0.0 {0.635836 0.497796 0.413487} O7 1274 -1 1 {} H 0.0 {0.6449 0.500425 0.415226} H6 1275 -1 8 {} O 0.0 {0.591391 0.459609 0.68325} O1 1276 -1 14 {} Si 0.0 {0.582614 0.438001 0.714533} Si1 1277 -1 14 {} Si 0.0 {0.587002 0.444362 0.684298} Si2 1278 -1 8 {} O 0.0 {0.597933 0.434453 0.678361} O2 1279 -1 1 {} H 0.0 {0.59972 0.427574 0.684785} H1 1280 -1 8 {} O 0.0 {0.573644 0.443714 0.675227} O3 1281 -1 1 {} H 0.0 {0.565513 0.44328 0.681067} H2 1282 -1 8 {} O 0.0 {0.58189 0.441054 0.699118} O4 1283 -1 1 {} H 0.0 {0.586636 0.477596 0.691932} H3 1284 -1 8 {} O 0.0 {0.570809 0.431034 0.716845} O5 1285 -1 1 {} H 0.0 {0.613218 0.481917 0.300837} H4 1286 -1 8 {} O 0.0 {0.61433 0.48906 0.307363} O6 1287 -1 1 {} H 0.0 {0.593507 0.416332 0.609122} H5 1288 -1 8 {} O 0.0 {0.579431 0.451375 0.722952} O7 1289 -1 1 {} H 0.0 {0.573034 0.457971 0.719259} H6 1290 -1 8 {} O 0.0 {0.527488 0.477908 0.664396} O1 1291 -1 14 {} Si 0.0 {0.539991 0.486572 0.664955} Si1 1292 -1 14 {} Si 0.0 {0.517356 0.466793 0.669689} Si2 1293 -1 8 {} O 0.0 {0.524445 0.452414 0.668821} O2 1294 -1 1 {} H 0.0 {0.522352 0.448225 0.660839} H1 1295 -1 8 {} O 0.0 {0.505014 0.464652 0.660191} O3 1296 -1 1 {} H 0.0 {0.505031 0.471816 0.653122} H2 1297 -1 8 {} O 0.0 {0.513661 0.470892 0.68382} O4 1298 -1 1 {} H 0.0 {0.508269 0.478748 0.683778} H3 1299 -1 8 {} O 0.0 {0.553109 0.482668 0.656541} O5 1300 -1 1 {} H 0.0 {0.553657 0.489903 0.650197} H4 1301 -1 8 {} O 0.0 {0.535612 0.501215 0.660385} O6 1302 -1 1 {} H 0.0 {0.53268 0.505687 0.668188} H5 1303 -1 8 {} O 0.0 {0.543779 0.488971 0.680128} O7 1304 -1 1 {} H 0.0 {0.553532 0.48976 0.681435} H6 1305 -1 8 {} O 0.0 {0.381672 0.436941 0.664479} O1 1306 -1 14 {} Si 0.0 {0.378236 0.429957 0.650009} Si1 1307 -1 14 {} Si 0.0 {0.386552 0.43779 0.679147} Si2 1308 -1 8 {} O 0.0 {0.372862 0.440037 0.685998} O2 1309 -1 1 {} H 0.0 {0.366325 0.445187 0.680655} H1 1310 -1 8 {} O 0.0 {0.395765 0.450656 0.680462} O3 1311 -1 1 {} H 0.0 {0.398588 0.45355 0.67166} H2 1312 -1 8 {} O 0.0 {0.392212 0.423376 0.68166} O4 1313 -1 1 {} H 0.0 {0.399921 0.42154 0.676018} H3 1314 -1 8 {} O 0.0 {0.366033 0.419979 0.653848} O5 1315 -1 1 {} H 0.0 {0.36408 0.419707 0.663371} H4 1316 -1 8 {} O 0.0 {0.374214 0.442902 0.642011} O6 1317 -1 1 {} H 0.0 {0.382698 0.448664 0.639351} H5 1318 -1 8 {} O 0.0 {0.392315 0.426401 0.645551} O7 1319 -1 1 {} H 0.0 {0.399244 0.413154 0.650918} H6 1320 -1 8 {} O 0.0 {0.598911 0.662087 0.564607} O1 1321 -1 14 {} Si 0.0 {0.345604 0.712897 0.424749} Si1 1322 -1 14 {} Si 0.0 {0.331321 0.706209 0.449641} Si2 1323 -1 8 {} O 0.0 {0.575731 0.556115 0.328136} O2 1324 -1 1 {} H 0.0 {0.571419 0.553809 0.336257} H1 1325 -1 8 {} O 0.0 {0.950109 0.903821 0.254277} O3 1326 -1 1 {} H 0.0 {0.307389 0.627587 0.403974} H2 1327 -1 8 {} O 0.0 {0.342223 0.697006 0.456544} O4 1328 -1 1 {} H 0.0 {0.349667 0.696919 0.450766} H3 1329 -1 8 {} O 0.0 {0.336065 0.718522 0.441954} O5 1330 -1 1 {} H 0.0 {0.315912 0.358804 0.413571} H4 1331 -1 8 {} O 0.0 {0.339933 0.700303 0.432494} O6 1332 -1 1 {} H 0.0 {0.532796 0.480423 0.315542} H5 1333 -1 8 {} O 0.0 {0.317921 0.701841 0.443223} O7 1334 -1 1 {} H 0.0 {0.3193 0.699124 0.434117} H6 1335 -1 8 {} O 0.0 {0.297963 0.622836 0.621412} O1 1336 -1 14 {} Si 0.0 {0.312818 0.619214 0.61669} Si1 1337 -1 14 {} Si 0.0 {0.31807 0.639203 0.638333} Si2 1338 -1 8 {} O 0.0 {0.510274 0.692252 0.58733} O2 1339 -1 1 {} H 0.0 {0.637093 0.641575 0.650493} H1 1340 -1 8 {} O 0.0 {0.319892 0.627145 0.628237} O3 1341 -1 1 {} H 0.0 {0.367894 0.651001 0.582077} H2 1342 -1 8 {} O 0.0 {0.318776 0.630334 0.651035} O4 1343 -1 1 {} H 0.0 {0.312673 0.62356 0.652371} H3 1344 -1 8 {} O 0.0 {0.314656 0.628113 0.603521} O5 1345 -1 1 {} H 0.0 {0.306759 0.627077 0.597859} H4 1346 -1 8 {} O 0.0 {0.634268 0.641378 0.659951} O6 1347 -1 1 {} H 0.0 {0.63729 0.632127 0.662372} H5 1348 -1 8 {} O 0.0 {0.654997 0.596106 0.641986} O7 1349 -1 1 {} H 0.0 {0.645233 0.59829 0.642659} H6 1350 -1 8 {} O 0.0 {0.599209 0.570456 0.37647} O1 1351 -1 14 {} Si 0.0 {0.595123 0.583216 0.384476} Si1 1352 -1 14 {} Si 0.0 {0.604916 0.561841 0.364959} Si2 1353 -1 8 {} O 0.0 {0.612114 0.570716 0.354612} O2 1354 -1 1 {} H 0.0 {0.611327 0.567006 0.345818} H1 1355 -1 8 {} O 0.0 {0.593741 0.555113 0.357011} O3 1356 -1 1 {} H 0.0 {0.587726 0.549844 0.363664} H2 1357 -1 8 {} O 0.0 {0.614007 0.54925 0.367853} O4 1358 -1 1 {} H 0.0 {0.608894 0.542222 0.371719} H3 1359 -1 8 {} O 0.0 {0.582108 0.58936 0.377454} O5 1360 -1 1 {} H 0.0 {0.574293 0.595171 0.359562} H4 1361 -1 8 {} O 0.0 {0.591688 0.580872 0.399369} O6 1362 -1 1 {} H 0.0 {0.599204 0.576529 0.404216} H5 1363 -1 8 {} O 0.0 {0.609069 0.591292 0.386768} O7 1364 -1 1 {} H 0.0 {0.607056 0.599055 0.391683} H6 1365 -1 8 {} O 0.0 {0.484555 0.562306 0.630118} O1 1366 -1 14 {} Si 0.0 {0.49434 0.572603 0.636675} Si1 1367 -1 14 {} Si 0.0 {0.473698 0.55403 0.621654} Si2 1368 -1 8 {} O 0.0 {0.470591 0.563492 0.608995} O2 1369 -1 1 {} H 0.0 {0.479613 0.568415 0.605703} H1 1370 -1 8 {} O 0.0 {0.462002 0.551751 0.631984} O3 1371 -1 1 {} H 0.0 {0.463357 0.543141 0.637437} H2 1372 -1 8 {} O 0.0 {0.482308 0.540793 0.618812} O4 1373 -1 1 {} H 0.0 {0.488752 0.538848 0.62614} H3 1374 -1 8 {} O 0.0 {0.492731 0.584144 0.625934} O5 1375 -1 1 {} H 0.0 {0.494239 0.580499 0.615999} H4 1376 -1 8 {} O 0.0 {0.487066 0.577137 0.650385} O6 1377 -1 1 {} H 0.0 {0.4865 0.570201 0.65694} H5 1378 -1 8 {} O 0.0 {0.509338 0.570235 0.635709} O7 1379 -1 1 {} H 0.0 {0.513292 0.572404 0.627238} H6 1380 -1 8 {} O 0.0 {0.62493 0.505437 0.528168} O1 1381 -1 14 {} Si 0.0 {0.609953 0.503816 0.531347} Si1 1382 -1 14 {} Si 0.0 {0.637999 0.51166 0.522711} Si2 1383 -1 8 {} O 0.0 {0.642363 0.523608 0.531801} O2 1384 -1 1 {} H 0.0 {0.644554 0.519752 0.541136} H1 1385 -1 8 {} O 0.0 {0.637165 0.514861 0.507422} O3 1386 -1 1 {} H 0.0 {0.634063 0.524248 0.506385} H2 1387 -1 8 {} O 0.0 {0.648835 0.500668 0.523615} O4 1388 -1 1 {} H 0.0 {0.65149 0.498333 0.515266} H3 1389 -1 8 {} O 0.0 {0.606224 0.488644 0.534764} O5 1390 -1 1 {} H 0.0 {0.614188 0.484509 0.537697} H4 1391 -1 8 {} O 0.0 {0.604669 0.511843 0.543207} O6 1392 -1 1 {} H 0.0 {0.601387 0.52074 0.541433} H5 1393 -1 8 {} O 0.0 {0.601311 0.507563 0.518816} O7 1394 -1 1 {} H 0.0 {0.6053 0.503827 0.511418} H6 1395 -1 8 {} O 0.0 {0.371545 0.499017 0.519163} O1 1396 -1 14 {} Si 0.0 {0.371232 0.514326 0.524341} Si1 1397 -1 14 {} Si 0.0 {0.378078 0.486172 0.515112} Si2 1398 -1 8 {} O 0.0 {0.384097 0.487481 0.500276} O2 1399 -1 1 {} H 0.0 {0.393604 0.486427 0.501392} H1 1400 -1 8 {} O 0.0 {0.369616 0.473324 0.516166} O3 1401 -1 1 {} H 0.0 {0.365796 0.47302 0.525484} H2 1402 -1 8 {} O 0.0 {0.390516 0.484679 0.524817} O4 1403 -1 1 {} H 0.0 {0.38803 0.478818 0.532327} H3 1404 -1 8 {} O 0.0 {0.365361 0.524166 0.513975} O5 1405 -1 1 {} H 0.0 {0.357679 0.5216 0.509357} H4 1406 -1 8 {} O 0.0 {0.361774 0.516363 0.537018} O6 1407 -1 1 {} H 0.0 {0.354897 0.509525 0.536702} H5 1408 -1 8 {} O 0.0 {0.385411 0.518758 0.527569} O7 1409 -1 1 {} H 0.0 {0.385603 0.526163 0.533393} H6 1410 -1 8 {} O 0.0 {0.633891 0.569173 0.562162} O1 1411 -1 14 {} Si 0.0 {0.644947 0.561353 0.568926} Si1 1412 -1 14 {} Si 0.0 {0.621246 0.573418 0.553803} Si2 1413 -1 8 {} O 0.0 {0.61076 0.581343 0.562098} O2 1414 -1 1 {} H 0.0 {0.630639 0.592392 0.573192} H1 1415 -1 8 {} O 0.0 {0.615376 0.561106 0.545364} O3 1416 -1 1 {} H 0.0 {0.621701 0.559005 0.538527} H2 1417 -1 8 {} O 0.0 {0.627176 0.582287 0.542316} O4 1418 -1 1 {} H 0.0 {0.620917 0.582732 0.534827} H3 1419 -1 8 {} O 0.0 {0.642898 0.545882 0.566517} O5 1420 -1 1 {} H 0.0 {0.634692 0.544165 0.571503} H4 1421 -1 8 {} O 0.0 {0.658714 0.564498 0.563098} O6 1422 -1 1 {} H 0.0 {0.649688 0.587555 0.549399} H5 1423 -1 8 {} O 0.0 {0.64277 0.564168 0.584759} O7 1424 -1 1 {} H 0.0 {0.645144 0.573601 0.587135} H6 1425 -1 8 {} O 0.0 {0.495812 0.464922 0.436157} O1 1426 -1 14 {} Si 0.0 {0.51058 0.468185 0.439034} Si1 1427 -1 14 {} Si 0.0 {0.483098 0.456037 0.433454} Si2 1428 -1 8 {} O 0.0 {0.480357 0.45154 0.41912} O2 1429 -1 1 {} H 0.0 {0.488371 0.44771 0.415524} H1 1430 -1 8 {} O 0.0 {0.471873 0.465655 0.439255} O3 1431 -1 1 {} H 0.0 {0.472929 0.474324 0.435653} H2 1432 -1 8 {} O 0.0 {0.483828 0.44408 0.44382} O4 1433 -1 1 {} H 0.0 {0.480916 0.44723 0.452882} H3 1434 -1 8 {} O 0.0 {0.511762 0.475299 0.452512} O5 1435 -1 1 {} H 0.0 {0.502889 0.479096 0.455543} H4 1436 -1 8 {} O 0.0 {0.519575 0.45533 0.441549} O6 1437 -1 1 {} H 0.0 {0.520221 0.453175 0.451249} H5 1438 -1 8 {} O 0.0 {0.515318 0.476384 0.427015} O7 1439 -1 1 {} H 0.0 {0.525101 0.474689 0.425705} H6 1440 -1 8 {} O 0.0 {0.475143 0.376198 0.614527} O1 1441 -1 14 {} Si 0.0 {0.460774 0.379055 0.609107} Si1 1442 -1 14 {} Si 0.0 {0.487579 0.376615 0.623944} Si2 1443 -1 8 {} O 0.0 {0.487453 0.387713 0.634843} O2 1444 -1 1 {} H 0.0 {0.492673 0.395208 0.636038} H1 1445 -1 8 {} O 0.0 {0.501262 0.373411 0.616767} O3 1446 -1 1 {} H 0.0 {0.508863 0.372149 0.623304} H2 1447 -1 8 {} O 0.0 {0.485504 0.362825 0.631849} O4 1448 -1 1 {} H 0.0 {0.493577 0.357775 0.630614} H3 1449 -1 8 {} O 0.0 {0.460115 0.395184 0.609713} O5 1450 -1 1 {} H 0.0 {0.454378 0.397402 0.617482} H4 1451 -1 8 {} O 0.0 {0.455791 0.375207 0.594679} O6 1452 -1 1 {} H 0.0 {0.446954 0.379411 0.593408} H5 1453 -1 8 {} O 0.0 {0.450004 0.373704 0.619045} O7 1454 -1 1 {} H 0.0 {0.446468 0.380912 0.624787} H6 1455 -1 8 {} O 0.0 {0.670496 0.539057 0.364685} O1 1456 -1 14 {} Si 0.0 {0.683438 0.547242 0.366433} Si1 1457 -1 14 {} Si 0.0 {0.65504 0.536549 0.367308} Si2 1458 -1 8 {} O 0.0 {0.651914 0.539873 0.382622} O2 1459 -1 1 {} H 0.0 {0.664519 0.580553 0.391395} H1 1460 -1 8 {} O 0.0 {0.652193 0.521573 0.36433} O3 1461 -1 1 {} H 0.0 {0.619543 0.501332 0.35546} H2 1462 -1 8 {} O 0.0 {0.645767 0.54604 0.358754} O4 1463 -1 1 {} H 0.0 {0.637148 0.544663 0.362118} H3 1464 -1 8 {} O 0.0 {0.6949 0.53822 0.37182} O5 1465 -1 1 {} H 0.0 {0.690964 0.531729 0.378831} H4 1466 -1 8 {} O 0.0 {0.68769 0.552739 0.352445} O6 1467 -1 1 {} H 0.0 {0.697379 0.554056 0.35239} H5 1468 -1 8 {} O 0.0 {0.681758 0.55854 0.377385} O7 1469 -1 1 {} H 0.0 {0.673975 0.557173 0.382655} H6 1470 -1 8 {} O 0.0 {0.585514 0.339963 0.398071} O1 1471 -1 14 {} Si 0.0 {0.577947 0.339452 0.411525} Si1 1472 -1 14 {} Si 0.0 {0.588776 0.34044 0.383233} Si2 1473 -1 8 {} O 0.0 {0.576251 0.335217 0.376007} O2 1474 -1 1 {} H 0.0 {0.575916 0.325885 0.378051} H1 1475 -1 8 {} O 0.0 {0.60133 0.333941 0.377288} O3 1476 -1 1 {} H 0.0 {0.609484 0.338205 0.381255} H2 1477 -1 8 {} O 0.0 {0.590236 0.355856 0.379683} O4 1478 -1 1 {} H 0.0 {0.587465 0.361887 0.386924} H3 1479 -1 8 {} O 0.0 {0.586709 0.331443 0.421464} O5 1480 -1 1 {} H 0.0 {0.581402 0.329316 0.429296} H4 1481 -1 8 {} O 0.0 {0.576502 0.353604 0.417559} O6 1482 -1 1 {} H 0.0 {0.580213 0.359856 0.411125} H5 1483 -1 8 {} O 0.0 {0.563949 0.332341 0.411946} O7 1484 -1 1 {} H 0.0 {0.55665 0.338581 0.414607} H6 1485 -1 8 {} O 0.0 {0.46849 0.529144 0.645735} O1 1486 -1 14 {} Si 0.0 {0.458376 0.517975 0.64957} Si1 1487 -1 14 {} Si 0.0 {0.576448 0.454057 0.324732} Si2 1488 -1 8 {} O 0.0 {0.562852 0.455713 0.31663} O2 1489 -1 1 {} H 0.0 {0.555472 0.450124 0.320585} H1 1490 -1 8 {} O 0.0 {0.586059 0.44504 0.314448} O3 1491 -1 1 {} H 0.0 {0.595721 0.447365 0.317849} H2 1492 -1 8 {} O 0.0 {0.465084 0.453768 0.626922} O4 1493 -1 1 {} H 0.0 {0.464354 0.444588 0.630371} H3 1494 -1 8 {} O 0.0 {0.463343 0.504047 0.643934} O5 1495 -1 1 {} H 0.0 {0.480167 0.573404 0.328689} H4 1496 -1 8 {} O 0.0 {0.45676 0.518022 0.664505} O6 1497 -1 1 {} H 0.0 {0.445795 0.512633 0.667926} H5 1498 -1 8 {} O 0.0 {0.445388 0.522741 0.642658} O7 1499 -1 1 {} H 0.0 {0.442454 0.531182 0.646092} H6 1500 -1 8 {} O 0.0 {0.581312 0.536131 0.648412} O1 1501 -1 14 {} Si 0.0 {0.587569 0.54465 0.636555} Si1 1502 -1 14 {} Si 0.0 {0.569711 0.536213 0.659166} Si2 1503 -1 8 {} O 0.0 {0.571169 0.533712 0.67429} O2 1504 -1 1 {} H 0.0 {0.565351 0.539883 0.679023} H1 1505 -1 8 {} O 0.0 {0.593963 0.507652 0.685948} O3 1506 -1 1 {} H 0.0 {0.600671 0.506181 0.679424} H2 1507 -1 8 {} O 0.0 {0.559663 0.52578 0.652169} O4 1508 -1 1 {} H 0.0 {0.552856 0.530083 0.647205} H3 1509 -1 8 {} O 0.0 {0.603041 0.54771 0.638205} O5 1510 -1 1 {} H 0.0 {0.607898 0.539945 0.634267} H4 1511 -1 8 {} O 0.0 {0.585237 0.538257 0.622412} O6 1512 -1 1 {} H 0.0 {0.598995 0.544623 0.604467} H5 1513 -1 8 {} O 0.0 {0.585471 0.566225 0.601719} O7 1514 -1 1 {} H 0.0 {0.553839 0.577789 0.619867} H6 1515 -1 8 {} O 0.0 {0.387428 0.457893 0.589851} O1 1516 -1 14 {} Si 0.0 {0.396762 0.445875 0.587439} Si1 1517 -1 14 {} Si 0.0 {0.365301 0.483143 0.608172} Si2 1518 -1 8 {} O 0.0 {0.379108 0.48968 0.612192} O2 1519 -1 1 {} H 0.0 {0.333572 0.493435 0.60358} H1 1520 -1 8 {} O 0.0 {0.354996 0.494205 0.608303} O3 1521 -1 1 {} H 0.0 {0.357539 0.50183 0.615469} H2 1522 -1 8 {} O 0.0 {0.361044 0.475252 0.620681} O4 1523 -1 1 {} H 0.0 {0.354204 0.467969 0.618997} H3 1524 -1 8 {} O 0.0 {0.407718 0.450557 0.576736} O5 1525 -1 1 {} H 0.0 {0.416454 0.449825 0.581056} H4 1526 -1 8 {} O 0.0 {0.405369 0.443749 0.600742} O6 1527 -1 1 {} H 0.0 {0.400855 0.436695 0.60552} H5 1528 -1 8 {} O 0.0 {0.393775 0.432777 0.579904} O7 1529 -1 1 {} H 0.0 {0.391002 0.433722 0.57075} H6 1530 -1 8 {} O 0.0 {0.317195 0.59218 0.451002} O1 1531 -1 14 {} Si 0.0 {0.301996 0.592411 0.449113} Si1 1532 -1 14 {} Si 0.0 {0.332396 0.591571 0.447725} Si2 1533 -1 8 {} O 0.0 {0.339711 0.590058 0.461387} O2 1534 -1 1 {} H 0.0 {0.336035 0.582063 0.46556} H1 1535 -1 8 {} O 0.0 {0.335619 0.604449 0.43986} O3 1536 -1 1 {} H 0.0 {0.330612 0.604972 0.431687} H2 1537 -1 8 {} O 0.0 {0.335593 0.578445 0.439381} O4 1538 -1 1 {} H 0.0 {0.326748 0.57534 0.435831} H3 1539 -1 8 {} O 0.0 {0.296744 0.604331 0.4579} O5 1540 -1 1 {} H 0.0 {0.30258 0.61106 0.460704} H4 1541 -1 8 {} O 0.0 {0.298181 0.596576 0.434683} O6 1542 -1 1 {} H 0.0 {0.296827 0.606124 0.432518} H5 1543 -1 8 {} O 0.0 {0.297214 0.577999 0.453403} O7 1544 -1 1 {} H 0.0 {0.246399 0.565074 0.518775} H6 1545 -1 8 {} O 0.0 {0.567702 0.48202 0.440028} O1 1546 -1 14 {} Si 0.0 {0.560304 0.481565 0.426731} Si1 1547 -1 14 {} Si 0.0 {0.57814 0.478486 0.451456} Si2 1548 -1 8 {} O 0.0 {0.587182 0.507699 0.429936} O2 1549 -1 1 {} H 0.0 {0.578297 0.503954 0.429738} H1 1550 -1 8 {} O 0.0 {0.58809 0.489535 0.44941} O3 1551 -1 1 {} H 0.0 {0.624996 0.463168 0.421696} H2 1552 -1 8 {} O 0.0 {0.585633 0.4657 0.447005} O4 1553 -1 1 {} H 0.0 {0.593069 0.467514 0.439536} H3 1554 -1 8 {} O 0.0 {0.559056 0.497386 0.423082} O5 1555 -1 1 {} H 0.0 {0.55134 0.501099 0.427318} H4 1556 -1 8 {} O 0.0 {0.568888 0.475029 0.415704} O6 1557 -1 1 {} H 0.0 {0.570899 0.481643 0.408881} H5 1558 -1 8 {} O 0.0 {0.546665 0.473921 0.427693} O7 1559 -1 1 {} H 0.0 {0.546851 0.465796 0.423346} H6 1560 -1 8 {} O 0.0 {0.414464 0.496849 0.324976} O1 1561 -1 14 {} Si 0.0 {0.420758 0.508929 0.333264} Si1 1562 -1 14 {} Si 0.0 {0.414118 0.482547 0.31928} Si2 1563 -1 8 {} O 0.0 {0.400988 0.476537 0.312949} O2 1564 -1 1 {} H 0.0 {0.393326 0.47356 0.318548} H1 1565 -1 8 {} O 0.0 {0.416213 0.475293 0.333072} O3 1566 -1 1 {} H 0.0 {0.406497 0.47248 0.336748} H2 1567 -1 8 {} O 0.0 {0.432115 0.476107 0.313545} O4 1568 -1 1 {} H 0.0 {0.439225 0.48176 0.318119} H3 1569 -1 8 {} O 0.0 {0.411787 0.521259 0.329009} O5 1570 -1 1 {} H 0.0 {0.405008 0.518955 0.322818} H4 1571 -1 8 {} O 0.0 {0.415563 0.505935 0.347893} O6 1572 -1 1 {} H 0.0 {0.411894 0.496543 0.348153} H5 1573 -1 8 {} O 0.0 {0.436018 0.510412 0.33518} O7 1574 -1 1 {} H 0.0 {0.437336 0.510455 0.344836} H6 1575 -1 8 {} O 0.0 {0.352177 0.554689 0.620422} O1 1576 -1 14 {} Si 0.0 {0.367592 0.554753 0.620736} Si1 1577 -1 14 {} Si 0.0 {0.362528 0.593059 0.338998} Si2 1578 -1 8 {} O 0.0 {0.367666 0.602399 0.348014} O2 1579 -1 1 {} H 0.0 {0.401149 0.594004 0.335394} H1 1580 -1 8 {} O 0.0 {0.355072 0.583182 0.348357} O3 1581 -1 1 {} H 0.0 {0.3594 0.577316 0.355263} H2 1582 -1 8 {} O 0.0 {0.407234 0.596848 0.595189} O4 1583 -1 1 {} H 0.0 {0.407798 0.592868 0.603811} H3 1584 -1 8 {} O 0.0 {0.3699 0.558656 0.63544} O5 1585 -1 1 {} H 0.0 {0.367014 0.550363 0.642078} H4 1586 -1 8 {} O 0.0 {0.374141 0.54095 0.616224} O6 1587 -1 1 {} H 0.0 {0.374014 0.534349 0.624959} H5 1588 -1 8 {} O 0.0 {0.373256 0.566326 0.611257} O7 1589 -1 1 {} H 0.0 {0.298391 0.563709 0.624536} H6 1590 -1 8 {} O 0.0 {0.477049 0.347066 0.683928} O1 1591 -1 14 {} Si 0.0 {0.487911 0.354622 0.679584} Si1 1592 -1 14 {} Si 0.0 {0.495091 0.358659 0.370064} Si2 1593 -1 8 {} O 0.0 {0.493376 0.345619 0.365955} O2 1594 -1 1 {} H 0.0 {0.470104 0.38864 0.369077} H1 1595 -1 8 {} O 0.0 {0.452483 0.303433 0.624338} O3 1596 -1 1 {} H 0.0 {0.450901 0.306731 0.63334} H2 1597 -1 8 {} O 0.0 {0.500542 0.368843 0.359522} O4 1598 -1 1 {} H 0.0 {0.510105 0.458697 0.304382} H3 1599 -1 8 {} O 0.0 {0.494815 0.346927 0.669797} O5 1600 -1 1 {} H 0.0 {0.494684 0.34007 0.654119} H4 1601 -1 8 {} O 0.0 {0.481289 0.367116 0.672417} O6 1602 -1 1 {} H 0.0 {0.447848 0.401669 0.637998} H5 1603 -1 8 {} O 0.0 {0.468654 0.387479 0.358607} O7 1604 -1 1 {} H 0.0 {0.478257 0.387233 0.355502} H6 1605 -1 8 {} O 0.0 {0.642105 0.350978 0.356917} O1 1606 -1 14 {} Si 0.0 {0.655244 0.343414 0.360066} Si1 1607 -1 14 {} Si 0.0 {0.631883 0.358187 0.347637} Si2 1608 -1 8 {} O 0.0 {0.63172 0.378732 0.353971} O2 1609 -1 1 {} H 0.0 {0.639042 0.379227 0.360684} H1 1610 -1 8 {} O 0.0 {0.619717 0.34967 0.344766} O3 1611 -1 1 {} H 0.0 {0.59914 0.361176 0.341284} H2 1612 -1 8 {} O 0.0 {0.64099 0.357363 0.335238} O4 1613 -1 1 {} H 0.0 {0.644284 0.36595 0.332399} H3 1614 -1 8 {} O 0.0 {0.650714 0.333743 0.373155} O5 1615 -1 1 {} H 0.0 {0.652363 0.337798 0.381927} H4 1616 -1 8 {} O 0.0 {0.658366 0.336172 0.345424} O6 1617 -1 1 {} H 0.0 {0.65198 0.340051 0.338587} H5 1618 -1 8 {} O 0.0 {0.665397 0.35615 0.364246} O7 1619 -1 1 {} H 0.0 {0.49696 0.361123 0.335092} H6 1620 -1 8 {} O 0.0 {0.56401 0.301979 0.476354} O1 1621 -1 14 {} Si 0.0 {0.564026 0.294757 0.462942} Si1 1622 -1 14 {} Si 0.0 {0.563893 0.303465 0.4918} Si2 1623 -1 8 {} O 0.0 {0.550243 0.308784 0.497408} O2 1624 -1 1 {} H 0.0 {0.550018 0.319187 0.501002} H1 1625 -1 8 {} O 0.0 {0.57357 0.314909 0.496876} O3 1626 -1 1 {} H 0.0 {0.575678 0.320963 0.489312} H2 1627 -1 8 {} O 0.0 {0.567115 0.289871 0.49941} O4 1628 -1 1 {} H 0.0 {0.566652 0.289752 0.509053} H3 1629 -1 8 {} O 0.0 {0.574693 0.299764 0.453321} O5 1630 -1 1 {} H 0.0 {0.579813 0.29177 0.450567} H4 1631 -1 8 {} O 0.0 {0.568139 0.280316 0.466247} O6 1632 -1 1 {} H 0.0 {0.568158 0.279045 0.475757} H5 1633 -1 8 {} O 0.0 {0.55189 0.295734 0.453172} O7 1634 -1 1 {} H 0.0 {0.55168 0.304856 0.449503} H6 1635 -1 8 {} O 0.0 {0.345655 0.61983 0.38844} O1 1636 -1 14 {} Si 0.0 {0.335739 0.614057 0.378689} Si1 1637 -1 14 {} Si 0.0 {0.35301 0.631759 0.39615} Si2 1638 -1 8 {} O 0.0 {0.369765 0.637384 0.385925} O2 1639 -1 1 {} H 0.0 {0.351384 0.70752 0.379045} H1 1640 -1 8 {} O 0.0 {0.353797 0.626919 0.410509} O3 1641 -1 1 {} H 0.0 {0.382282 0.664683 0.399434} H2 1642 -1 8 {} O 0.0 {0.341413 0.641827 0.396438} O4 1643 -1 1 {} H 0.0 {0.333939 0.638444 0.3918} H3 1644 -1 8 {} O 0.0 {0.723617 0.557597 0.403294} O5 1645 -1 1 {} H 0.0 {0.722076 0.556297 0.394035} H4 1646 -1 8 {} O 0.0 {0.661197 0.574988 0.39882} O6 1647 -1 1 {} H 0.0 {0.668373 0.577185 0.406502} H5 1648 -1 8 {} O 0.0 {0.323024 0.621634 0.381472} O7 1649 -1 1 {} H 0.0 {0.314846 0.615749 0.382484} H6 1650 -1 8 {} O 0.0 {0.501193 0.619294 0.426087} O1 1651 -1 14 {} Si 0.0 {0.515962 0.623561 0.425988} Si1 1652 -1 14 {} Si 0.0 {0.488096 0.612052 0.421511} Si2 1653 -1 8 {} O 0.0 {0.489667 0.599534 0.411452} O2 1654 -1 1 {} H 0.0 {0.493298 0.592453 0.416736} H1 1655 -1 8 {} O 0.0 {0.478398 0.622858 0.415583} O3 1656 -1 1 {} H 0.0 {0.473654 0.61845 0.408405} H2 1657 -1 8 {} O 0.0 {0.481343 0.605589 0.434154} O4 1658 -1 1 {} H 0.0 {0.484798 0.61018 0.442447} H3 1659 -1 8 {} O 0.0 {0.523608 0.616876 0.43816} O5 1660 -1 1 {} H 0.0 {0.523485 0.607378 0.437084} H4 1661 -1 8 {} O 0.0 {0.526144 0.620656 0.414905} O6 1662 -1 1 {} H 0.0 {0.53196 0.628528 0.413561} H5 1663 -1 8 {} O 0.0 {0.515942 0.638685 0.428086} O7 1664 -1 1 {} H 0.0 {0.50657 0.641663 0.430111} H6 1665 -1 8 {} O 0.0 {0.388399 0.690387 0.604466} O1 1666 -1 14 {} Si 0.0 {0.389147 0.676278 0.612234} Si1 1667 -1 14 {} Si 0.0 {0.383933 0.700532 0.593314} Si2 1668 -1 8 {} O 0.0 {0.370112 0.704421 0.59874} O2 1669 -1 1 {} H 0.0 {0.320585 0.672621 0.611702} H1 1670 -1 8 {} O 0.0 {0.382189 0.692555 0.579525} O3 1671 -1 1 {} H 0.0 {0.373058 0.694562 0.576051} H2 1672 -1 8 {} O 0.0 {0.392815 0.713587 0.593529} O4 1673 -1 1 {} H 0.0 {0.401159 0.711504 0.598273} H3 1674 -1 8 {} O 0.0 {0.399323 0.67656 0.629503} O5 1675 -1 1 {} H 0.0 {0.398083 0.666927 0.633374} H4 1676 -1 8 {} O 0.0 {0.363511 0.327082 0.474737} O6 1677 -1 1 {} H 0.0 {0.350936 0.375783 0.503737} H5 1678 -1 8 {} O 0.0 {0.393412 0.664942 0.601941} O7 1679 -1 1 {} H 0.0 {0.398652 0.668657 0.594684} H6 1680 -1 8 {} O 0.0 {0.556974 0.348035 0.49816} O1 1681 -1 14 {} Si 0.0 {0.573463 0.350359 0.495876} Si1 1682 -1 14 {} Si 0.0 {0.543239 0.342132 0.495716} Si2 1683 -1 8 {} O 0.0 {0.542135 0.331055 0.506467} O2 1684 -1 1 {} H 0.0 {0.527527 0.325381 0.505957} H1 1685 -1 8 {} O 0.0 {0.545785 0.334899 0.481571} O3 1686 -1 1 {} H 0.0 {0.556089 0.336365 0.478646} H2 1687 -1 8 {} O 0.0 {0.530176 0.351171 0.498169} O4 1688 -1 1 {} H 0.0 {0.523276 0.347058 0.503761} H3 1689 -1 8 {} O 0.0 {0.579455 0.362993 0.487923} O5 1690 -1 1 {} H 0.0 {0.581076 0.370626 0.493588} H4 1691 -1 8 {} O 0.0 {0.572718 0.336501 0.480525} O6 1692 -1 1 {} H 0.0 {0.575927 0.341557 0.472802} H5 1693 -1 8 {} O 0.0 {0.585008 0.341919 0.504362} O7 1694 -1 1 {} H 0.0 {0.581909 0.332604 0.503641} H6 1695 -1 8 {} O 0.0 {0.404991 0.528208 0.591274} O1 1696 -1 14 {} Si 0.0 {0.391967 0.52337 0.585459} Si1 1697 -1 14 {} Si 0.0 {0.417321 0.528524 0.601551} Si2 1698 -1 8 {} O 0.0 {0.427756 0.538233 0.594795} O2 1699 -1 1 {} H 0.0 {0.422983 0.54355 0.587905} H1 1700 -1 8 {} O 0.0 {0.423493 0.514668 0.604197} O3 1701 -1 1 {} H 0.0 {0.418732 0.510313 0.611405} H2 1702 -1 8 {} O 0.0 {0.413406 0.532959 0.615964} O4 1703 -1 1 {} H 0.0 {0.40405 0.530701 0.61705} H3 1704 -1 8 {} O 0.0 {0.388143 0.495676 0.555711} O5 1705 -1 1 {} H 0.0 {0.393441 0.496587 0.547697} H4 1706 -1 8 {} O 0.0 {0.388615 0.510138 0.59346} O6 1707 -1 1 {} H 0.0 {0.384163 0.503148 0.598551} H5 1708 -1 8 {} O 0.0 {0.382894 0.535408 0.591181} O7 1709 -1 1 {} H 0.0 {0.379943 0.534113 0.600761} H6 1710 -1 8 {} O 0.0 {0.599169 0.640922 0.598218} O1 1711 -1 14 {} Si 0.0 {0.610384 0.633323 0.589966} Si1 1712 -1 14 {} Si 0.0 {0.585787 0.649806 0.602061} Si2 1713 -1 8 {} O 0.0 {0.592412 0.662007 0.608313} O2 1714 -1 1 {} H 0.0 {0.587538 0.685045 0.627586} H1 1715 -1 8 {} O 0.0 {0.574476 0.645086 0.611086} O3 1716 -1 1 {} H 0.0 {0.57676 0.636533 0.616739} H2 1717 -1 8 {} O 0.0 {0.58091 0.656719 0.588634} O4 1718 -1 1 {} H 0.0 {0.57181 0.6604 0.589426} H3 1719 -1 8 {} O 0.0 {0.616412 0.621601 0.598017} O5 1720 -1 1 {} H 0.0 {0.578943 0.584952 0.629572} H4 1721 -1 8 {} O 0.0 {0.603147 0.628572 0.576508} O6 1722 -1 1 {} H 0.0 {0.59995 0.619255 0.577152} H5 1723 -1 8 {} O 0.0 {0.622109 0.642266 0.587278} O7 1724 -1 1 {} H 0.0 {0.620886 0.625414 0.611337} H6 1725 -1 8 {} O 0.0 {0.341982 0.327398 0.5613} O1 1726 -1 14 {} Si 0.0 {0.342025 0.340019 0.552786} Si1 1727 -1 14 {} Si 0.0 {0.337562 0.316368 0.571714} Si2 1728 -1 8 {} O 0.0 {0.330382 0.303687 0.565919} O2 1729 -1 1 {} H 0.0 {0.334506 0.295488 0.567536} H1 1730 -1 8 {} O 0.0 {0.329242 0.324743 0.58141} O3 1731 -1 1 {} H 0.0 {0.332454 0.334132 0.582437} H2 1732 -1 8 {} O 0.0 {0.350509 0.312014 0.579593} O4 1733 -1 1 {} H 0.0 {0.352968 0.319329 0.585126} H3 1734 -1 8 {} O 0.0 {0.354862 0.340059 0.543729} O5 1735 -1 1 {} H 0.0 {0.370857 0.404243 0.527767} H4 1736 -1 8 {} O 0.0 {0.329381 0.34026 0.544381} O6 1737 -1 1 {} H 0.0 {0.30247 0.331658 0.570822} H5 1738 -1 8 {} O 0.0 {0.341353 0.353811 0.560923} O7 1739 -1 1 {} H 0.0 {0.346649 0.399101 0.571258} H6 1740 -1 8 {} O 0.0 {0.557566 0.685534 0.611109} O1 1741 -1 14 {} Si 0.0 {0.549529 0.673287 0.616994} Si1 1742 -1 14 {} Si 0.0 {0.557467 0.66058 0.644679} Si2 1743 -1 8 {} O 0.0 {0.567138 0.666444 0.655607} O2 1744 -1 1 {} H 0.0 {0.576691 0.667929 0.652322} H1 1745 -1 8 {} O 0.0 {0.563224 0.646519 0.643752} O3 1746 -1 1 {} H 0.0 {0.588629 0.681374 0.612827} H2 1747 -1 8 {} O 0.0 {0.542248 0.659515 0.647896} O4 1748 -1 1 {} H 0.0 {0.500994 0.693712 0.585521} H3 1749 -1 8 {} O 0.0 {0.530362 0.666371 0.62339} O5 1750 -1 1 {} H 0.0 {0.513721 0.624428 0.633829} H4 1751 -1 8 {} O 0.0 {0.532237 0.683985 0.618875} O6 1752 -1 1 {} H 0.0 {0.529419 0.685074 0.609363} H5 1753 -1 8 {} O 0.0 {0.552673 0.663482 0.604733} O7 1754 -1 1 {} H 0.0 {0.561003 0.657659 0.606997} H6 1755 -1 8 {} O 0.0 {0.523041 0.518505 0.580768} O1 1756 -1 14 {} Si 0.0 {0.537651 0.524702 0.580956} Si1 1757 -1 14 {} Si 0.0 {0.511501 0.508675 0.58236} Si2 1758 -1 8 {} O 0.0 {0.500984 0.508074 0.570889} O2 1759 -1 1 {} H 0.0 {0.504971 0.503225 0.563036} H1 1760 -1 8 {} O 0.0 {0.505248 0.512588 0.596384} O3 1761 -1 1 {} H 0.0 {0.495691 0.513672 0.594575} H2 1762 -1 8 {} O 0.0 {0.516777 0.494195 0.583687} O4 1763 -1 1 {} H 0.0 {0.516151 0.482082 0.601675} H3 1764 -1 8 {} O 0.0 {0.534494 0.54016 0.567349} O5 1765 -1 1 {} H 0.0 {0.539386 0.547734 0.570519} H4 1766 -1 8 {} O 0.0 {0.536923 0.533908 0.593446} O6 1767 -1 1 {} H 0.0 {0.529216 0.532069 0.599309} H5 1768 -1 8 {} O 0.0 {0.545214 0.513833 0.589264} O7 1769 -1 1 {} H 0.0 {0.554838 0.513298 0.585286} H6 1770 -1 8 {} O 0.0 {0.41811 0.467854 0.630985} O1 1771 -1 14 {} Si 0.0 {0.423504 0.476269 0.619183} Si1 1772 -1 14 {} Si 0.0 {0.409153 0.458218 0.639774} Si2 1773 -1 8 {} O 0.0 {0.411893 0.442613 0.640336} O2 1774 -1 1 {} H 0.0 {0.402748 0.436641 0.642674} H1 1775 -1 8 {} O 0.0 {0.393997 0.459651 0.634921} O3 1776 -1 1 {} H 0.0 {0.387597 0.418514 0.613979} H2 1777 -1 8 {} O 0.0 {0.407664 0.46294 0.65491} O4 1778 -1 1 {} H 0.0 {0.402874 0.472206 0.655872} H3 1779 -1 8 {} O 0.0 {0.439221 0.475659 0.61702} O5 1780 -1 1 {} H 0.0 {0.441316 0.467427 0.612501} H4 1781 -1 8 {} O 0.0 {0.415595 0.470251 0.606905} O6 1782 -1 1 {} H 0.0 {0.391252 0.471529 0.635817} H5 1783 -1 8 {} O 0.0 {0.421144 0.49203 0.621097} O7 1784 -1 1 {} H 0.0 {0.420187 0.493708 0.630703} H6 1785 -1 8 {} O 0.0 {0.317482 0.454731 0.451077} O1 1786 -1 14 {} Si 0.0 {0.304257 0.446094 0.451326} Si1 1787 -1 14 {} Si 0.0 {0.330383 0.461401 0.445636} Si2 1788 -1 8 {} O 0.0 {0.325968 0.471048 0.433929} O2 1789 -1 1 {} H 0.0 {0.325953 0.466101 0.425221} H1 1790 -1 8 {} O 0.0 {0.338781 0.450263 0.439577} O3 1791 -1 1 {} H 0.0 {0.340277 0.442723 0.445774} H2 1792 -1 8 {} O 0.0 {0.337882 0.465494 0.458192} O4 1793 -1 1 {} H 0.0 {0.346964 0.462944 0.458026} H3 1794 -1 8 {} O 0.0 {0.308398 0.43078 0.449152} O5 1795 -1 1 {} H 0.0 {0.708403 0.526313 0.455841} H4 1796 -1 8 {} O 0.0 {0.298354 0.449839 0.439316} O6 1797 -1 1 {} H 0.0 {0.319171 0.448635 0.411399} H5 1798 -1 8 {} O 0.0 {0.652378 0.432342 0.457981} O7 1799 -1 1 {} H 0.0 {0.64814 0.428395 0.449767} H6 1800 -1 8 {} O 0.0 {0.516756 0.428858 0.647855} O1 1801 -1 14 {} Si 0.0 {0.501994 0.424907 0.652006} Si1 1802 -1 14 {} Si 0.0 {0.531035 0.424612 0.642825} Si2 1803 -1 8 {} O 0.0 {0.534147 0.434021 0.6317} O2 1804 -1 1 {} H 0.0 {0.526176 0.438941 0.628802} H1 1805 -1 8 {} O 0.0 {0.531666 0.410769 0.634951} O3 1806 -1 1 {} H 0.0 {0.54127 0.409586 0.632037} H2 1807 -1 8 {} O 0.0 {0.54024 0.423179 0.654829} O4 1808 -1 1 {} H 0.0 {0.547665 0.429368 0.654337} H3 1809 -1 8 {} O 0.0 {0.500773 0.416108 0.665226} O5 1810 -1 1 {} H 0.0 {0.493955 0.409729 0.664382} H4 1811 -1 8 {} O 0.0 {0.493405 0.438418 0.654802} O6 1812 -1 1 {} H 0.0 {0.499784 0.445098 0.656891} H5 1813 -1 8 {} O 0.0 {0.494344 0.416899 0.641378} O7 1814 -1 1 {} H 0.0 {0.495883 0.419459 0.632474} H6 1815 -1 8 {} O 0.0 {0.392732 0.537324 0.357722} O1 1816 -1 14 {} Si 0.0 {0.399925 0.549889 0.351313} Si1 1817 -1 14 {} Si 0.0 {0.386702 0.523555 0.361631} Si2 1818 -1 8 {} O 0.0 {0.397249 0.51778 0.371686} O2 1819 -1 1 {} H 0.0 {0.405061 0.514192 0.366552} H1 1820 -1 8 {} O 0.0 {0.471915 0.601117 0.638381} O3 1821 -1 1 {} H 0.0 {0.372398 0.524823 0.368107} H2 1822 -1 8 {} O 0.0 {0.300507 0.554433 0.624495} O4 1823 -1 1 {} H 0.0 {0.300681 0.552527 0.614842} H3 1824 -1 8 {} O 0.0 {0.413257 0.546363 0.343842} O5 1825 -1 1 {} H 0.0 {0.41151 0.53898 0.337668} H4 1826 -1 8 {} O 0.0 {0.386746 0.557585 0.34284} O6 1827 -1 1 {} H 0.0 {0.378117 0.555824 0.347241} H5 1828 -1 8 {} O 0.0 {0.401996 0.559954 0.363725} O7 1829 -1 1 {} H 0.0 {0.409929 0.557806 0.369154} H6 1830 -1 8 {} O 0.0 {0.324687 0.476902 0.537764} O1 1831 -1 14 {} Si 0.0 {0.337293 0.485331 0.542737} Si1 1832 -1 14 {} Si 0.0 {0.30991 0.475082 0.532465} Si2 1833 -1 8 {} O 0.0 {0.301737 0.485756 0.535491} O2 1834 -1 1 {} H 0.0 {0.283879 0.52353 0.514418} H1 1835 -1 8 {} O 0.0 {0.30183 0.453582 0.538117} O3 1836 -1 1 {} H 0.0 {0.309556 0.449142 0.543043} H2 1837 -1 8 {} O 0.0 {0.312392 0.476715 0.51674} O4 1838 -1 1 {} H 0.0 {0.32079 0.481193 0.513378} H3 1839 -1 8 {} O 0.0 {0.339303 0.500186 0.537224} O5 1840 -1 1 {} H 0.0 {0.279853 0.557719 0.491413} H4 1841 -1 8 {} O 0.0 {0.33681 0.483859 0.558136} O6 1842 -1 1 {} H 0.0 {0.336078 0.474084 0.561136} H5 1843 -1 8 {} O 0.0 {0.350208 0.477531 0.539495} O7 1844 -1 1 {} H 0.0 {0.34788 0.467676 0.539288} H6 1845 -1 8 {} O 0.0 {0.449066 0.626104 0.634273} O1 1846 -1 14 {} Si 0.0 {0.440554 0.62138 0.646105} Si1 1847 -1 14 {} Si 0.0 {0.457063 0.629899 0.620622} Si2 1848 -1 8 {} O 0.0 {0.449221 0.626135 0.607583} O2 1849 -1 1 {} H 0.0 {0.440039 0.62914 0.607437} H1 1850 -1 8 {} O 0.0 {0.469506 0.620647 0.620672} O3 1851 -1 1 {} H 0.0 {0.469124 0.614671 0.629044} H2 1852 -1 8 {} O 0.0 {0.462923 0.644268 0.621782} O4 1853 -1 1 {} H 0.0 {0.471031 0.646122 0.617082} H3 1854 -1 8 {} O 0.0 {0.427737 0.614665 0.640138} O5 1855 -1 1 {} H 0.0 {0.418904 0.618508 0.64311} H4 1856 -1 8 {} O 0.0 {0.448462 0.610046 0.65261} O6 1857 -1 1 {} H 0.0 {0.455304 0.60435 0.648344} H5 1858 -1 8 {} O 0.0 {0.437989 0.634119 0.654826} O7 1859 -1 1 {} H 0.0 {0.442647 0.642387 0.652793} H6 1860 -1 8 {} O 0.0 {0.484161 0.486763 0.326831} O1 1861 -1 14 {} Si 0.0 {0.498176 0.480538 0.325082} Si1 1862 -1 14 {} Si 0.0 {0.471656 0.492786 0.334498} Si2 1863 -1 8 {} O 0.0 {0.469525 0.487228 0.348343} O2 1864 -1 1 {} H 0.0 {0.47772 0.485598 0.35353} H1 1865 -1 8 {} O 0.0 {0.459454 0.489327 0.32372} O3 1866 -1 1 {} H 0.0 {0.46039 0.496513 0.316405} H2 1867 -1 8 {} O 0.0 {0.473415 0.507927 0.333341} O4 1868 -1 1 {} H 0.0 {0.477642 0.51196 0.341756} H3 1869 -1 8 {} O 0.0 {0.506317 0.490407 0.316911} O5 1870 -1 1 {} H 0.0 {0.500744 0.499471 0.315389} H4 1871 -1 8 {} O 0.0 {0.503671 0.478689 0.339448} O6 1872 -1 1 {} H 0.0 {0.498393 0.471927 0.344118} H5 1873 -1 8 {} O 0.0 {0.49655 0.466398 0.318847} O7 1874 -1 1 {} H 0.0 {0.48726 0.463627 0.319083} H6 1875 -1 8 {} O 0.0 {0.39045 0.61832 0.369613} O1 1876 -1 14 {} Si 0.0 {0.401709 0.608726 0.364636} Si1 1877 -1 14 {} Si 0.0 {0.382008 0.631416 0.370202} Si2 1878 -1 8 {} O 0.0 {0.396051 0.603994 0.35114} O2 1879 -1 1 {} H 0.0 {0.38652 0.605417 0.350156} H1 1880 -1 8 {} O 0.0 {0.351035 0.555529 0.432643} O3 1881 -1 1 {} H 0.0 {0.348297 0.564217 0.435323} H2 1882 -1 8 {} O 0.0 {0.375564 0.631414 0.356368} O4 1883 -1 1 {} H 0.0 {0.372059 0.622681 0.354175} H3 1884 -1 8 {} O 0.0 {0.299785 0.6363 0.522896} O5 1885 -1 1 {} H 0.0 {0.294709 0.631832 0.529751} H4 1886 -1 8 {} O 0.0 {0.486942 0.347576 0.334464} O6 1887 -1 1 {} H 0.0 {0.342694 0.550673 0.432842} H5 1888 -1 8 {} O 0.0 {0.402582 0.597943 0.375776} O7 1889 -1 1 {} H 0.0 {0.398887 0.589764 0.371991} H6 1890 -1 8 {} O 0.0 {0.391187 0.560372 0.561695} O1 1891 -1 14 {} Si 0.0 {0.386191 0.557 0.547656} Si1 1892 -1 14 {} Si 0.0 {0.398989 0.566327 0.574282} Si2 1893 -1 8 {} O 0.0 {0.401273 0.581341 0.572368} O2 1894 -1 1 {} H 0.0 {0.403328 0.585358 0.580652} H1 1895 -1 8 {} O 0.0 {0.412663 0.559208 0.574252} O3 1896 -1 1 {} H 0.0 {0.416048 0.557027 0.565196} H2 1897 -1 8 {} O 0.0 {0.391999 0.562517 0.58774} O4 1898 -1 1 {} H 0.0 {0.387246 0.553554 0.586287} H3 1899 -1 8 {} O 0.0 {0.394814 0.563898 0.536069} O5 1900 -1 1 {} H 0.0 {0.389724 0.564856 0.527884} H4 1901 -1 8 {} O 0.0 {0.38825 0.541535 0.546957} O6 1902 -1 1 {} H 0.0 {0.388042 0.53668 0.555764} H5 1903 -1 8 {} O 0.0 {0.370932 0.557624 0.546189} O7 1904 -1 1 {} H 0.0 {0.363824 0.559173 0.552555} H6 1905 -1 8 {} O 0.0 {0.600624 0.549473 0.694825} O1 1906 -1 14 {} Si 0.0 {0.59983 0.564651 0.690575} Si1 1907 -1 14 {} Si 0.0 {0.597306 0.540024 0.706734} Si2 1908 -1 8 {} O 0.0 {0.584761 0.53123 0.703257} O2 1909 -1 1 {} H 0.0 {0.586472 0.527062 0.694589} H1 1910 -1 8 {} O 0.0 {0.595227 0.548051 0.719364} O3 1911 -1 1 {} H 0.0 {0.624058 0.456413 0.510745} H2 1912 -1 8 {} O 0.0 {0.609163 0.530837 0.71056} O4 1913 -1 1 {} H 0.0 {0.617416 0.536352 0.71083} H3 1914 -1 8 {} O 0.0 {0.58975 0.568549 0.679711} O5 1915 -1 1 {} H 0.0 {0.594588 0.542255 0.726901} H4 1916 -1 8 {} O 0.0 {0.599056 0.572384 0.70403} O6 1917 -1 1 {} H 0.0 {0.594903 0.567147 0.710334} H5 1918 -1 8 {} O 0.0 {0.614139 0.568462 0.684804} O7 1919 -1 1 {} H 0.0 {0.613071 0.592777 0.683481} H6 1920 -1 8 {} O 0.0 {0.36242 0.454854 0.478922} O1 1921 -1 14 {} Si 0.0 {0.372144 0.464642 0.470619} Si1 1922 -1 14 {} Si 0.0 {0.357144 0.449303 0.493082} Si2 1923 -1 8 {} O 0.0 {0.345947 0.458984 0.497954} O2 1924 -1 1 {} H 0.0 {0.338479 0.460424 0.491639} H1 1925 -1 8 {} O 0.0 {0.369599 0.44695 0.50263} O3 1926 -1 1 {} H 0.0 {0.372693 0.455478 0.506507} H2 1927 -1 8 {} O 0.0 {0.350862 0.435522 0.489955} O4 1928 -1 1 {} H 0.0 {0.355858 0.426946 0.492066} H3 1929 -1 8 {} O 0.0 {0.387684 0.462951 0.474928} O5 1930 -1 1 {} H 0.0 {0.392655 0.470475 0.471102} H4 1931 -1 8 {} O 0.0 {0.370501 0.463778 0.455159} O6 1932 -1 1 {} H 0.0 {0.373842 0.455534 0.45138} H5 1933 -1 8 {} O 0.0 {0.369283 0.478788 0.477074} O7 1934 -1 1 {} H 0.0 {0.375427 0.480487 0.484213} H6 1935 -1 8 {} O 0.0 {0.479447 0.571698 0.700654} O1 1936 -1 14 {} Si 0.0 {0.486831 0.579466 0.689171} Si1 1937 -1 14 {} Si 0.0 {0.468311 0.563243 0.707225} Si2 1938 -1 8 {} O 0.0 {0.460126 0.554825 0.696666} O2 1939 -1 1 {} H 0.0 {0.464916 0.546797 0.693885} H1 1940 -1 8 {} O 0.0 {0.458154 0.572129 0.714792} O3 1941 -1 1 {} H 0.0 {0.46285 0.58033 0.717387} H2 1942 -1 8 {} O 0.0 {0.472977 0.552296 0.717721} O4 1943 -1 1 {} H 0.0 {0.468603 0.554177 0.725875} H3 1944 -1 8 {} O 0.0 {0.501461 0.584031 0.692748} O5 1945 -1 1 {} H 0.0 {0.521863 0.625465 0.680232} H4 1946 -1 8 {} O 0.0 {0.490445 0.570768 0.676529} O6 1947 -1 1 {} H 0.0 {0.490177 0.561251 0.679546} H5 1948 -1 8 {} O 0.0 {0.479209 0.591928 0.683989} O7 1949 -1 1 {} H 0.0 {0.47289 0.58986 0.677554} H6 1950 -1 8 {} O 0.0 {0.522979 0.62907 0.549892} O1 1951 -1 14 {} Si 0.0 {0.512347 0.638389 0.558692} Si1 1952 -1 14 {} Si 0.0 {0.537774 0.623047 0.548602} Si2 1953 -1 8 {} O 0.0 {0.535978 0.610585 0.540026} O2 1954 -1 1 {} H 0.0 {0.543137 0.604265 0.536747} H1 1955 -1 8 {} O 0.0 {0.544666 0.618349 0.561295} O3 1956 -1 1 {} H 0.0 {0.539248 0.611761 0.566945} H2 1957 -1 8 {} O 0.0 {0.547827 0.632143 0.540675} O4 1958 -1 1 {} H 0.0 {0.557593 0.631929 0.542162} H3 1959 -1 8 {} O 0.0 {0.498396 0.631608 0.557499} O5 1960 -1 1 {} H 0.0 {0.498321 0.622342 0.555062} H4 1961 -1 8 {} O 0.0 {0.517878 0.639769 0.573536} O6 1962 -1 1 {} H 0.0 {0.513731 0.632745 0.578953} H5 1963 -1 8 {} O 0.0 {0.514798 0.652669 0.552617} O7 1964 -1 1 {} H 0.0 {0.469373 0.676765 0.577342} H6 1965 -1 8 {} O 0.0 {0.481298 0.603787 0.357429} O1 1966 -1 14 {} Si 0.0 {0.477201 0.588975 0.353653} Si1 1967 -1 14 {} Si 0.0 {0.488469 0.616497 0.364608} Si2 1968 -1 8 {} O 0.0 {0.495538 0.624808 0.354061} O2 1969 -1 1 {} H 0.0 {0.506857 0.615789 0.346464} H1 1970 -1 8 {} O 0.0 {0.499638 0.610756 0.375206} O3 1971 -1 1 {} H 0.0 {0.500048 0.616446 0.383307} H2 1972 -1 8 {} O 0.0 {0.477562 0.625084 0.372477} O4 1973 -1 1 {} H 0.0 {0.478372 0.634784 0.37084} H3 1974 -1 8 {} O 0.0 {0.463414 0.586281 0.360387} O5 1975 -1 1 {} H 0.0 {0.458082 0.578676 0.35601} H4 1976 -1 8 {} O 0.0 {0.476692 0.589939 0.337661} O6 1977 -1 1 {} H 0.0 {0.473143 0.597832 0.333156} H5 1978 -1 8 {} O 0.0 {0.488168 0.578544 0.35704} O7 1979 -1 1 {} H 0.0 {0.495662 0.577703 0.348877} H6 1980 -1 8 {} O 0.0 {0.625123 0.530245 0.648247} O1 1981 -1 14 {} Si 0.0 {0.626983 0.520281 0.635423} Si1 1982 -1 14 {} Si 0.0 {0.629752 0.536023 0.661901} Si2 1983 -1 8 {} O 0.0 {0.619842 0.548351 0.663359} O2 1984 -1 1 {} H 0.0 {0.613401 0.547807 0.656334} H1 1985 -1 8 {} O 0.0 {0.644681 0.54014 0.661742} O3 1986 -1 1 {} H 0.0 {0.64808 0.542314 0.652019} H2 1987 -1 8 {} O 0.0 {0.625115 0.524349 0.671773} O4 1988 -1 1 {} H 0.0 {0.61709 0.521006 0.668442} H3 1989 -1 8 {} O 0.0 {0.64005 0.518558 0.626793} O5 1990 -1 1 {} H 0.0 {0.660998 0.461437 0.608021} H4 1991 -1 8 {} O 0.0 {0.623621 0.50557 0.63912} O6 1992 -1 1 {} H 0.0 {0.628034 0.498047 0.632028} H5 1993 -1 8 {} O 0.0 {0.616033 0.523276 0.624957} O7 1994 -1 1 {} H 0.0 {0.617626 0.52384 0.615317} H6 1995 -1 8 {} O 0.0 {0.631046 0.514914 0.576824} O1 1996 -1 14 {} Si 0.0 {0.642742 0.506669 0.571374} Si1 1997 -1 14 {} Si 0.0 {0.61691 0.52017 0.581604} Si2 1998 -1 8 {} O 0.0 {0.616069 0.516593 0.59671} O2 1999 -1 1 {} H 0.0 {0.623872 0.509822 0.600161} H1 2000 -1 8 {} O 0.0 {0.606181 0.512665 0.573182} O3 2001 -1 1 {} H 0.0 {0.606989 0.512403 0.56335} H2 2002 -1 8 {} O 0.0 {0.618639 0.535529 0.5794} O4 2003 -1 1 {} H 0.0 {0.615158 0.540707 0.5871} H3 2004 -1 8 {} O 0.0 {0.638772 0.49361 0.562565} O5 2005 -1 1 {} H 0.0 {0.600395 0.652497 0.563517} H4 2006 -1 8 {} O 0.0 {0.651281 0.516776 0.5627} O6 2007 -1 1 {} H 0.0 {0.64715 0.52625 0.563914} H5 2008 -1 8 {} O 0.0 {0.651626 0.503057 0.583709} O7 2009 -1 1 {} H 0.0 {0.646198 0.503897 0.592459} H6 2010 -1 8 {} O 0.0 {0.524219 0.628205 0.330928} O1 2011 -1 14 {} Si 0.0 {0.5315 0.641675 0.330906} Si1 2012 -1 14 {} Si 0.0 {0.519755 0.613497 0.328295} Si2 2013 -1 8 {} O 0.0 {0.531286 0.603128 0.32613} O2 2014 -1 1 {} H 0.0 {0.535855 0.601012 0.334789} H1 2015 -1 8 {} O 0.0 {0.507238 0.61141 0.32001} O3 2016 -1 1 {} H 0.0 {0.499122 0.615799 0.323487} H2 2017 -1 8 {} O 0.0 {0.513465 0.60905 0.341359} O4 2018 -1 1 {} H 0.0 {0.499409 0.655085 0.33511} H3 2019 -1 8 {} O 0.0 {0.529491 0.6482 0.3452} O5 2020 -1 1 {} H 0.0 {0.528245 0.670022 0.365441} H4 2021 -1 8 {} O 0.0 {0.547022 0.640322 0.328177} O6 2022 -1 1 {} H 0.0 {0.551527 0.593429 0.348782} H5 2023 -1 8 {} O 0.0 {0.525278 0.651792 0.321422} O7 2024 -1 1 {} H 0.0 {0.515991 0.652428 0.322413} H6 2025 -1 8 {} O 0.0 {0.321199 0.640223 0.423751} O1 2026 -1 14 {} Si 0.0 {0.300979 0.638933 0.421263} Si1 2027 -1 14 {} Si 0.0 {0.325539 0.652475 0.432295} Si2 2028 -1 8 {} O 0.0 {0.333719 0.65908 0.421741} O2 2029 -1 1 {} H 0.0 {0.33565 0.652413 0.415165} H1 2030 -1 8 {} O 0.0 {0.328591 0.646109 0.445846} O3 2031 -1 1 {} H 0.0 {0.614018 0.670517 0.62323} H2 2032 -1 8 {} O 0.0 {0.31045 0.655103 0.430767} O4 2033 -1 1 {} H 0.0 {0.33462 0.35469 0.47329} H3 2034 -1 8 {} O 0.0 {0.296563 0.62867 0.42938} O5 2035 -1 1 {} H 0.0 {0.645074 0.617331 0.43371} H4 2036 -1 8 {} O 0.0 {0.302134 0.635716 0.405489} O6 2037 -1 1 {} H 0.0 {0.381873 0.670943 0.450592} H5 2038 -1 8 {} O 0.0 {0.616539 0.669756 0.613648} O7 2039 -1 1 {} H 0.0 {0.623473 0.662179 0.612571} H6 2040 -1 8 {} O 0.0 {0.634149 0.637744 0.554318} O1 2041 -1 14 {} Si 0.0 {0.623841 0.635563 0.542578} Si1 2042 -1 14 {} Si 0.0 {0.645713 0.646804 0.559649} Si2 2043 -1 8 {} O 0.0 {0.656786 0.638765 0.566372} O2 2044 -1 1 {} H 0.0 {0.665126 0.642984 0.564583} H1 2045 -1 8 {} O 0.0 {0.638191 0.654879 0.570518} O3 2046 -1 1 {} H 0.0 {0.631572 0.648604 0.573894} H2 2047 -1 8 {} O 0.0 {0.651207 0.654511 0.547341} O4 2048 -1 1 {} H 0.0 {0.6443 0.654579 0.540602} H3 2049 -1 8 {} O 0.0 {0.559346 0.283088 0.553965} O5 2050 -1 1 {} H 0.0 {0.588846 0.325708 0.540414} H4 2051 -1 8 {} O 0.0 {0.628543 0.624702 0.535281} O6 2052 -1 1 {} H 0.0 {0.550912 0.705255 0.388244} H5 2053 -1 8 {} O 0.0 {0.627084 0.645574 0.530546} O7 2054 -1 1 {} H 0.0 {0.619679 0.64614 0.524135} H6 2055 -1 8 {} O 0.0 {0.599547 0.464886 0.348758} O1 2056 -1 14 {} Si 0.0 {0.601253 0.46909 0.333855} Si1 2057 -1 14 {} Si 0.0 {0.592957 0.465294 0.363072} Si2 2058 -1 8 {} O 0.0 {0.578136 0.46359 0.360304} O2 2059 -1 1 {} H 0.0 {0.576213 0.456861 0.352639} H1 2060 -1 8 {} O 0.0 {0.597293 0.478251 0.370621} O3 2061 -1 1 {} H 0.0 {0.610265 0.474863 0.388569} H2 2062 -1 8 {} O 0.0 {0.599076 0.453256 0.370584} O4 2063 -1 1 {} H 0.0 {0.599862 0.455457 0.380088} H3 2064 -1 8 {} O 0.0 {0.610199 0.48138 0.333671} O5 2065 -1 1 {} H 0.0 {0.551489 0.438665 0.297755} H4 2066 -1 8 {} O 0.0 {0.60916 0.456989 0.326936} O6 2067 -1 1 {} H 0.0 {0.617447 0.454727 0.331287} H5 2068 -1 8 {} O 0.0 {0.584157 0.473728 0.323771} O7 2069 -1 1 {} H 0.0 {0.578437 0.478796 0.330044} H6 2070 -1 8 {} O 0.0 {0.68024 0.624913 0.450372} O1 2071 -1 14 {} Si 0.0 {0.684538 0.609639 0.451886} Si1 2072 -1 14 {} Si 0.0 {0.685781 0.595759 0.425331} Si2 2073 -1 8 {} O 0.0 {0.679972 0.581522 0.421238} O2 2074 -1 1 {} H 0.0 {0.680308 0.57572 0.428913} H1 2075 -1 8 {} O 0.0 {0.701216 0.595178 0.424032} O3 2076 -1 1 {} H 0.0 {0.704002 0.589199 0.416674} H2 2077 -1 8 {} O 0.0 {0.682008 0.606729 0.414979} O4 2078 -1 1 {} H 0.0 {0.653078 0.580821 0.402249} H3 2079 -1 8 {} O 0.0 {0.370763 0.745039 0.415584} O5 2080 -1 1 {} H 0.0 {0.660308 0.55937 0.554959} H4 2081 -1 8 {} O 0.0 {0.677943 0.604233 0.46465} O6 2082 -1 1 {} H 0.0 {0.680112 0.594835 0.465511} H5 2083 -1 8 {} O 0.0 {0.699842 0.608308 0.453847} O7 2084 -1 1 {} H 0.0 {0.703208 0.603925 0.446469} H6 2085 -1 8 {} O 0.0 {0.63049 0.574707 0.62474} O1 2086 -1 14 {} Si 0.0 {0.619344 0.584962 0.628907} Si1 2087 -1 14 {} Si 0.0 {0.645594 0.569418 0.624411} Si2 2088 -1 8 {} O 0.0 {0.651371 0.567155 0.638951} O2 2089 -1 1 {} H 0.0 {0.655922 0.558336 0.639314} H1 2090 -1 8 {} O 0.0 {0.652286 0.582047 0.619269} O3 2091 -1 1 {} H 0.0 {0.656836 0.586975 0.627697} H2 2092 -1 8 {} O 0.0 {0.648643 0.558539 0.613902} O4 2093 -1 1 {} H 0.0 {0.645557 0.562001 0.604835} H3 2094 -1 8 {} O 0.0 {0.610508 0.590459 0.616603} O5 2095 -1 1 {} H 0.0 {0.601396 0.590911 0.619122} H4 2096 -1 8 {} O 0.0 {0.610835 0.577017 0.639639} O6 2097 -1 1 {} H 0.0 {0.629859 0.617673 0.592555} H5 2098 -1 8 {} O 0.0 {0.625875 0.596703 0.637197} O7 2099 -1 1 {} H 0.0 {0.627096 0.593972 0.646634} H6 2100 -1 8 {} O 0.0 {0.446878 0.428578 0.584848} O1 2101 -1 14 {} Si 0.0 {0.434778 0.422595 0.577854} Si1 2102 -1 14 {} Si 0.0 {0.455163 0.435648 0.596151} Si2 2103 -1 8 {} O 0.0 {0.44949 0.447462 0.604939} O2 2104 -1 1 {} H 0.0 {0.455644 0.449959 0.612086} H1 2105 -1 8 {} O 0.0 {0.467308 0.443608 0.590577} O3 2106 -1 1 {} H 0.0 {0.463961 0.44945 0.583811} H2 2107 -1 8 {} O 0.0 {0.461235 0.426201 0.606795} O4 2108 -1 1 {} H 0.0 {0.459142 0.4168 0.605778} H3 2109 -1 8 {} O 0.0 {0.431167 0.429537 0.564877} O5 2110 -1 1 {} H 0.0 {0.439151 0.434593 0.561789} H4 2111 -1 8 {} O 0.0 {0.437762 0.407928 0.573009} O6 2112 -1 1 {} H 0.0 {0.43434 0.401263 0.57864} H5 2113 -1 8 {} O 0.0 {0.422568 0.421226 0.587641} O7 2114 -1 1 {} H 0.0 {0.41533 0.425589 0.583642} H6 2115 -1 8 {} O 0.0 {0.528568 0.406298 0.375477} O1 2116 -1 14 {} Si 0.0 {0.524895 0.391839 0.381903} Si1 2117 -1 14 {} Si 0.0 {0.5362 0.412562 0.363477} Si2 2118 -1 8 {} O 0.0 {0.527352 0.423921 0.358013} O2 2119 -1 1 {} H 0.0 {0.52375 0.466366 0.2994} H1 2120 -1 8 {} O 0.0 {0.535978 0.399626 0.354175} O3 2121 -1 1 {} H 0.0 {0.551014 0.406014 0.320831} H2 2122 -1 8 {} O 0.0 {0.549343 0.420159 0.366966} O4 2123 -1 1 {} H 0.0 {0.54931 0.421157 0.376399} H3 2124 -1 8 {} O 0.0 {0.5296 0.393766 0.396678} O5 2125 -1 1 {} H 0.0 {0.524061 0.38947 0.403439} H4 2126 -1 8 {} O 0.0 {0.509726 0.391235 0.381194} O6 2127 -1 1 {} H 0.0 {0.506553 0.386312 0.373036} H5 2128 -1 8 {} O 0.0 {0.535651 0.376576 0.373344} O7 2129 -1 1 {} H 0.0 {0.545418 0.377938 0.375939} H6 2130 -1 8 {} O 0.0 {0.397518 0.395121 0.484455} O1 2131 -1 14 {} Si 0.0 {0.400643 0.3855 0.496802} Si1 2132 -1 14 {} Si 0.0 {0.402233 0.407251 0.475731} Si2 2133 -1 8 {} O 0.0 {0.40457 0.400492 0.462149} O2 2134 -1 1 {} H 0.0 {0.395846 0.396971 0.459229} H1 2135 -1 8 {} O 0.0 {0.416169 0.410643 0.482105} O3 2136 -1 1 {} H 0.0 {0.422678 0.404072 0.478638} H2 2137 -1 8 {} O 0.0 {0.394021 0.420004 0.477228} O4 2138 -1 1 {} H 0.0 {0.400448 0.427166 0.480544} H3 2139 -1 8 {} O 0.0 {0.411793 0.374743 0.492297} O5 2140 -1 1 {} H 0.0 {0.407459 0.366122 0.491324} H4 2141 -1 8 {} O 0.0 {0.407893 0.392887 0.508662} O6 2142 -1 1 {} H 0.0 {0.407339 0.403374 0.507525} H5 2143 -1 8 {} O 0.0 {0.389012 0.375665 0.501635} O7 2144 -1 1 {} H 0.0 {0.380822 0.378977 0.497693} H6 2145 -1 8 {} O 0.0 {0.431475 0.671244 0.513139} O1 2146 -1 14 {} Si 0.0 {0.423375 0.658351 0.515293} Si1 2147 -1 14 {} Si 0.0 {0.443306 0.681541 0.510931} Si2 2148 -1 8 {} O 0.0 {0.443974 0.683544 0.495895} O2 2149 -1 1 {} H 0.0 {0.434718 0.68173 0.492415} H1 2150 -1 8 {} O 0.0 {0.457194 0.676756 0.516771} O3 2151 -1 1 {} H 0.0 {0.443312 0.633348 0.505344} H2 2152 -1 8 {} O 0.0 {0.441098 0.693402 0.520787} O4 2153 -1 1 {} H 0.0 {0.43791 0.690794 0.529107} H3 2154 -1 8 {} O 0.0 {0.412977 0.656913 0.503555} O5 2155 -1 1 {} H 0.0 {0.407441 0.648899 0.505096} H4 2156 -1 8 {} O 0.0 {0.432666 0.645282 0.516685} O6 2157 -1 1 {} H 0.0 {0.438767 0.647039 0.524102} H5 2158 -1 8 {} O 0.0 {0.414767 0.661972 0.528628} O7 2159 -1 1 {} H 0.0 {0.408423 0.668696 0.525887} H6 2160 -1 8 {} O 0.0 {0.44936 0.655798 0.661179} O1 2161 -1 14 {} Si 0.0 {0.458675 0.665353 0.653552} Si1 2162 -1 14 {} Si 0.0 {0.450232 0.655892 0.681197} Si2 2163 -1 8 {} O 0.0 {0.461144 0.672452 0.673047} O2 2164 -1 1 {} H 0.0 {0.454486 0.679154 0.67486} H1 2165 -1 8 {} O 0.0 {0.437411 0.645467 0.681223} O3 2166 -1 1 {} H 0.0 {0.439133 0.639507 0.673561} H2 2167 -1 8 {} O 0.0 {0.44541 0.662984 0.695911} O4 2168 -1 1 {} H 0.0 {0.438589 0.657384 0.698684} H3 2169 -1 8 {} O 0.0 {0.400731 0.315427 0.653897} O5 2170 -1 1 {} H 0.0 {0.469957 0.334415 0.665772} H4 2171 -1 8 {} O 0.0 {0.469678 0.655941 0.647271} O6 2172 -1 1 {} H 0.0 {0.467476 0.654107 0.637899} H5 2173 -1 8 {} O 0.0 {0.450178 0.670246 0.643403} O7 2174 -1 1 {} H 0.0 {0.46767 0.656889 0.574185} H6 2175 -1 8 {} O 0.0 {0.39051 0.55235 0.454763} O1 2176 -1 14 {} Si 0.0 {0.377296 0.5611 0.456034} Si1 2177 -1 14 {} Si 0.0 {0.402166 0.543211 0.460109} Si2 2178 -1 8 {} O 0.0 {0.412072 0.536443 0.450487} O2 2179 -1 1 {} H 0.0 {0.412595 0.526579 0.451085} H1 2180 -1 8 {} O 0.0 {0.396651 0.531788 0.469903} O3 2181 -1 1 {} H 0.0 {0.38891 0.527435 0.465993} H2 2182 -1 8 {} O 0.0 {0.411289 0.553682 0.467121} O4 2183 -1 1 {} H 0.0 {0.409238 0.562268 0.46291} H3 2184 -1 8 {} O 0.0 {0.378378 0.571376 0.468007} O5 2185 -1 1 {} H 0.0 {0.37901 0.580222 0.46432} H4 2186 -1 8 {} O 0.0 {0.376612 0.569493 0.442265} O6 2187 -1 1 {} H 0.0 {0.383107 0.566193 0.435999} H5 2188 -1 8 {} O 0.0 {0.363533 0.553255 0.456048} O7 2189 -1 1 {} H 0.0 {0.359968 0.553028 0.446906} H6 2190 -1 8 {} O 0.0 {0.490137 0.302352 0.606373} O1 2191 -1 14 {} Si 0.0 {0.497683 0.309614 0.594287} Si1 2192 -1 14 {} Si 0.0 {0.486462 0.290965 0.616261} Si2 2193 -1 8 {} O 0.0 {0.495135 0.606879 0.549006} O2 2194 -1 1 {} H 0.0 {0.489481 0.603412 0.556033} H1 2195 -1 8 {} O 0.0 {0.472076 0.286544 0.612445} O3 2196 -1 1 {} H 0.0 {0.515348 0.29502 0.571064} H2 2197 -1 8 {} O 0.0 {0.487946 0.29547 0.631203} O4 2198 -1 1 {} H 0.0 {0.492154 0.304214 0.632522} H3 2199 -1 8 {} O 0.0 {0.507094 0.321769 0.598352} O5 2200 -1 1 {} H 0.0 {0.504259 0.331178 0.598043} H4 2201 -1 8 {} O 0.0 {0.506833 0.298217 0.587746} O6 2202 -1 1 {} H 0.0 {0.505339 0.290011 0.592544} H5 2203 -1 8 {} O 0.0 {0.488486 0.313925 0.58072} O7 2204 -1 1 {} H 0.0 {0.475012 0.327448 0.54638} H6 2205 -1 8 {} O 0.0 {0.339265 0.447306 0.361327} O1 2206 -1 14 {} Si 0.0 {0.329066 0.440169 0.371102} Si1 2207 -1 14 {} Si 0.0 {0.350047 0.458564 0.359038} Si2 2208 -1 8 {} O 0.0 {0.345216 0.471995 0.366541} O2 2209 -1 1 {} H 0.0 {0.337593 0.47089 0.372326} H1 2210 -1 8 {} O 0.0 {0.367039 0.465144 0.345514} O3 2211 -1 1 {} H 0.0 {0.705319 0.520951 0.366156} H2 2212 -1 8 {} O 0.0 {0.361533 0.451875 0.368266} O4 2213 -1 1 {} H 0.0 {0.366764 0.445163 0.363275} H3 2214 -1 8 {} O 0.0 {0.714463 0.519858 0.451378} O5 2215 -1 1 {} H 0.0 {0.712943 0.52128 0.442157} H4 2216 -1 8 {} O 0.0 {0.327178 0.449771 0.383021} O6 2217 -1 1 {} H 0.0 {0.334421 0.353082 0.390563} H5 2218 -1 8 {} O 0.0 {0.339103 0.430677 0.378999} O7 2219 -1 1 {} H 0.0 {0.345728 0.434699 0.384814} H6 2220 -1 8 {} O 0.0 {0.413744 0.490646 0.441883} O1 2221 -1 14 {} Si 0.0 {0.424369 0.492131 0.430143} Si1 2222 -1 14 {} Si 0.0 {0.404687 0.494031 0.453796} Si2 2223 -1 8 {} O 0.0 {0.389554 0.493878 0.449133} O2 2224 -1 1 {} H 0.0 {0.389537 0.495948 0.439745} H1 2225 -1 8 {} O 0.0 {0.409564 0.507729 0.459287} O3 2226 -1 1 {} H 0.0 {0.410377 0.508057 0.468459} H2 2227 -1 8 {} O 0.0 {0.406408 0.48291 0.465019} O4 2228 -1 1 {} H 0.0 {0.416197 0.4821 0.46743} H3 2229 -1 8 {} O 0.0 {0.419887 0.505327 0.423132} O5 2230 -1 1 {} H 0.0 {0.42801 0.509208 0.418794} H4 2231 -1 8 {} O 0.0 {0.438935 0.493679 0.435317} O6 2232 -1 1 {} H 0.0 {0.445322 0.494953 0.428048} H5 2233 -1 8 {} O 0.0 {0.425867 0.482543 0.4176} O7 2234 -1 1 {} H 0.0 {0.417594 0.481127 0.412554} H6 2235 -1 8 {} O 0.0 {0.527688 0.385223 0.682189} O1 2236 -1 14 {} Si 0.0 {0.528143 0.399684 0.688533} Si1 2237 -1 14 {} Si 0.0 {0.571784 0.446854 0.296135} Si2 2238 -1 8 {} O 0.0 {0.577748 0.452585 0.284958} O2 2239 -1 1 {} H 0.0 {0.521844 0.487628 0.305835} H1 2240 -1 8 {} O 0.0 {0.577035 0.445321 0.33754} O3 2241 -1 1 {} H 0.0 {0.578385 0.435705 0.335951} H2 2242 -1 8 {} O 0.0 {0.560449 0.436076 0.293375} O4 2243 -1 1 {} H 0.0 {0.527132 0.390021 0.308743} H3 2244 -1 8 {} O 0.0 {0.536747 0.407135 0.678232} O5 2245 -1 1 {} H 0.0 {0.532141 0.412036 0.671942} H4 2246 -1 8 {} O 0.0 {0.51907 0.458074 0.299756} O6 2247 -1 1 {} H 0.0 {0.530754 0.43297 0.36195} H5 2248 -1 8 {} O 0.0 {0.512232 0.402169 0.688521} O7 2249 -1 1 {} H 0.0 {0.510286 0.408213 0.681538} H6 2250 -1 8 {} O 0.0 {0.450501 0.300816 0.561186} O1 2251 -1 14 {} Si 0.0 {0.452798 0.297981 0.576472} Si1 2252 -1 14 {} Si 0.0 {0.44305 0.301525 0.546759} Si2 2253 -1 8 {} O 0.0 {0.428226 0.296551 0.546703} O2 2254 -1 1 {} H 0.0 {0.426419 0.289184 0.553422} H1 2255 -1 8 {} O 0.0 {0.449042 0.291054 0.540071} O3 2256 -1 1 {} H 0.0 {0.471191 0.286058 0.546106} H2 2257 -1 8 {} O 0.0 {0.445921 0.32122 0.535479} O4 2258 -1 1 {} H 0.0 {0.454355 0.327405 0.540584} H3 2259 -1 8 {} O 0.0 {0.438979 0.296105 0.58337} O5 2260 -1 1 {} H 0.0 {0.434549 0.304846 0.584264} H4 2261 -1 8 {} O 0.0 {0.462357 0.285198 0.576029} O6 2262 -1 1 {} H 0.0 {0.464967 0.290866 0.617608} H5 2263 -1 8 {} O 0.0 {0.460209 0.308861 0.584523} O7 2264 -1 1 {} H 0.0 {0.470329 0.307331 0.584348} H6 2265 -1 8 {} O 0.0 {0.47847 0.563595 0.327864} O1 2266 -1 14 {} Si 0.0 {0.516235 0.576784 0.379795} Si1 2267 -1 14 {} Si 0.0 {0.483929 0.55811 0.314747} Si2 2268 -1 8 {} O 0.0 {0.476883 0.545329 0.309735} O2 2269 -1 1 {} H 0.0 {0.467044 0.546314 0.310746} H1 2270 -1 8 {} O 0.0 {0.499379 0.557503 0.31558} O3 2271 -1 1 {} H 0.0 {0.502977 0.563582 0.322376} H2 2272 -1 8 {} O 0.0 {0.4824 0.568073 0.302709} O4 2273 -1 1 {} H 0.0 {0.486321 0.564095 0.295311} H3 2274 -1 8 {} O 0.0 {0.501158 0.571021 0.380355} O5 2275 -1 1 {} H 0.0 {0.496292 0.574102 0.372266} H4 2276 -1 8 {} O 0.0 {0.514885 0.590801 0.385695} O6 2277 -1 1 {} H 0.0 {0.508302 0.597249 0.381458} H5 2278 -1 8 {} O 0.0 {0.519635 0.578632 0.366311} O7 2279 -1 1 {} H 0.0 {0.366349 0.656995 0.319787} H6 2280 -1 8 {} O 0.0 {0.719706 0.587923 0.61118} O1 2281 -1 14 {} Si 0.0 {0.730446 0.592532 0.618649} Si1 2282 -1 14 {} Si 0.0 {0.371529 0.702302 0.38448} Si2 2283 -1 8 {} O 0.0 {0.379829 0.712243 0.392953} O2 2284 -1 1 {} H 0.0 {0.308776 0.674424 0.419593} H1 2285 -1 8 {} O 0.0 {0.360471 0.709588 0.376233} O3 2286 -1 1 {} H 0.0 {0.488068 0.345723 0.3437} H2 2287 -1 8 {} O 0.0 {0.364097 0.693823 0.395709} O4 2288 -1 1 {} H 0.0 {0.368868 0.693988 0.40355} H3 2289 -1 8 {} O 0.0 {0.739553 0.581807 0.618581} O5 2290 -1 1 {} H 0.0 {0.522661 0.324384 0.463138} H4 2291 -1 8 {} O 0.0 {0.736112 0.606876 0.619413} O6 2292 -1 1 {} H 0.0 {0.744816 0.60819 0.623921} H5 2293 -1 8 {} O 0.0 {0.263055 0.557427 0.116581} O7 2294 -1 1 {} H 0.0 {0.254181 0.556625 0.113313} H6 2295 -1 8 {} O 0.0 {0.400572 0.652545 0.347562} O1 2296 -1 14 {} Si 0.0 {0.402165 0.652604 0.362561} Si1 2297 -1 14 {} Si 0.0 {0.394353 0.655524 0.333541} Si2 2298 -1 8 {} O 0.0 {0.307494 0.681861 0.414292} O2 2299 -1 1 {} H 0.0 {0.300969 0.679126 0.408419} H1 2300 -1 8 {} O 0.0 {0.379807 0.649935 0.333406} O3 2301 -1 1 {} H 0.0 {0.379153 0.643595 0.34106} H2 2302 -1 8 {} O 0.0 {0.405189 0.649819 0.323309} O4 2303 -1 1 {} H 0.0 {0.412172 0.646272 0.328619} H3 2304 -1 8 {} O 0.0 {0.416514 0.648083 0.367531} O5 2305 -1 1 {} H 0.0 {0.417572 0.647487 0.37753} H4 2306 -1 8 {} O 0.0 {0.398298 0.669452 0.372617} O6 2307 -1 1 {} H 0.0 {0.389782 0.666774 0.379181} H5 2308 -1 8 {} O 0.0 {0.393158 0.642183 0.369318} O7 2309 -1 1 {} H 0.0 {0.384222 0.633335 0.429167} H6 2310 -1 8 {} O 0.0 {0.523868 0.512718 0.459584} O1 2311 -1 14 {} Si 0.0 {0.508916 0.51826 0.460939} Si1 2312 -1 14 {} Si 0.0 {0.537427 0.509731 0.453761} Si2 2313 -1 8 {} O 0.0 {0.540456 0.494812 0.457832} O2 2314 -1 1 {} H 0.0 {0.53252 0.491322 0.461092} H1 2315 -1 8 {} O 0.0 {0.547237 0.520714 0.460662} O3 2316 -1 1 {} H 0.0 {0.552311 0.515165 0.466637} H2 2317 -1 8 {} O 0.0 {0.537364 0.509767 0.43792} O4 2318 -1 1 {} H 0.0 {0.537824 0.519056 0.433896} H3 2319 -1 8 {} O 0.0 {0.501553 0.525966 0.44999} O5 2320 -1 1 {} H 0.0 {0.496233 0.533114 0.453529} H4 2321 -1 8 {} O 0.0 {0.499713 0.50601 0.462934} O6 2322 -1 1 {} H 0.0 {0.490514 0.507637 0.45882} H5 2323 -1 8 {} O 0.0 {0.507806 0.526929 0.473575} O7 2324 -1 1 {} H 0.0 {0.506439 0.521314 0.481438} H6 2325 -1 8 {} O 0.0 {0.573378 0.529681 0.555763} O1 2326 -1 14 {} Si 0.0 {0.579417 0.541458 0.543551} Si1 2327 -1 14 {} Si 0.0 {0.570315 0.526185 0.570412} Si2 2328 -1 8 {} O 0.0 {0.451222 0.554032 0.570168} O2 2329 -1 1 {} H 0.0 {0.456781 0.546959 0.57336} H1 2330 -1 8 {} O 0.0 {0.576838 0.514374 0.578278} O3 2331 -1 1 {} H 0.0 {0.586598 0.514682 0.576849} H2 2332 -1 8 {} O 0.0 {0.555585 0.523869 0.570903} O4 2333 -1 1 {} H 0.0 {0.576973 0.517312 0.53619} H3 2334 -1 8 {} O 0.0 {0.568402 0.549886 0.535975} O5 2335 -1 1 {} H 0.0 {0.559263 0.548156 0.53842} H4 2336 -1 8 {} O 0.0 {0.581992 0.552104 0.555951} O6 2337 -1 1 {} H 0.0 {0.576027 0.535277 0.622614} H5 2338 -1 8 {} O 0.0 {0.595433 0.540643 0.540078} O7 2339 -1 1 {} H 0.0 {0.599942 0.548678 0.542978} H6 2340 -1 8 {} O 0.0 {0.46049 0.333779 0.423247} O1 2341 -1 14 {} Si 0.0 {0.472586 0.326593 0.415908} Si1 2342 -1 14 {} Si 0.0 {0.454034 0.344996 0.432154} Si2 2343 -1 8 {} O 0.0 {0.440722 0.33989 0.437838} O2 2344 -1 1 {} H 0.0 {0.441374 0.334566 0.445894} H1 2345 -1 8 {} O 0.0 {0.451563 0.356263 0.421517} O3 2346 -1 1 {} H 0.0 {0.441844 0.357699 0.421392} H2 2347 -1 8 {} O 0.0 {0.465174 0.349862 0.442185} O4 2348 -1 1 {} H 0.0 {0.461682 0.357255 0.447937} H3 2349 -1 8 {} O 0.0 {0.476504 0.330445 0.401012} O5 2350 -1 1 {} H 0.0 {0.485269 0.328049 0.398101} H4 2351 -1 8 {} O 0.0 {0.486665 0.329982 0.423484} O6 2352 -1 1 {} H 0.0 {0.485044 0.33614 0.43048} H5 2353 -1 8 {} O 0.0 {0.471275 0.311006 0.415936} O7 2354 -1 1 {} H 0.0 {0.462466 0.309194 0.413299} H6 2355 -1 8 {} O 0.0 {0.305756 0.542609 0.600092} O1 2356 -1 14 {} Si 0.0 {0.319324 0.543663 0.59669} Si1 2357 -1 14 {} Si 0.0 {0.635601 0.487649 0.611254} Si2 2358 -1 8 {} O 0.0 {0.635459 0.501448 0.60583} O2 2359 -1 1 {} H 0.0 {0.639185 0.51179 0.618939} H1 2360 -1 8 {} O 0.0 {0.63515 0.485874 0.626062} O3 2361 -1 1 {} H 0.0 {0.489621 0.460676 0.555612} H2 2362 -1 8 {} O 0.0 {0.622359 0.482894 0.605269} O4 2363 -1 1 {} H 0.0 {0.614181 0.484997 0.610021} H3 2364 -1 8 {} O 0.0 {0.323012 0.535466 0.576614} O5 2365 -1 1 {} H 0.0 {0.325456 0.54269 0.571131} H4 2366 -1 8 {} O 0.0 {0.319644 0.55958 0.596208} O6 2367 -1 1 {} H 0.0 {0.323159 0.563581 0.60486} H5 2368 -1 8 {} O 0.0 {0.327013 0.539482 0.61024} O7 2369 -1 1 {} H 0.0 {0.348316 0.546173 0.624899} H6 2370 -1 8 {} O 0.0 {0.2847 0.545192 0.579563} O1 2371 -1 14 {} Si 0.0 {0.274219 0.535482 0.574079} Si1 2372 -1 14 {} Si 0.0 {0.637915 0.479838 0.556807} Si2 2373 -1 8 {} O 0.0 {0.622027 0.47887 0.556548} O2 2374 -1 1 {} H 0.0 {0.619359 0.4715 0.562769} H1 2375 -1 8 {} O 0.0 {0.640932 0.467147 0.565401} O3 2376 -1 1 {} H 0.0 {0.638944 0.459039 0.559956} H2 2377 -1 8 {} O 0.0 {0.643167 0.47492 0.542649} O4 2378 -1 1 {} H 0.0 {0.647229 0.482367 0.537586} H3 2379 -1 8 {} O 0.0 {0.263756 0.529283 0.584411} O5 2380 -1 1 {} H 0.0 {0.255429 0.530077 0.58024} H4 2381 -1 8 {} O 0.0 {0.265211 0.542419 0.563313} O6 2382 -1 1 {} H 0.0 {0.265655 0.551953 0.563403} H5 2383 -1 8 {} O 0.0 {0.636482 0.59387 0.309094} O7 2384 -1 1 {} H 0.0 {0.637557 0.594305 0.299613} H6 2385 -1 8 {} O 0.0 {0.32228 0.505863 0.483705} O1 2386 -1 14 {} Si 0.0 {0.331012 0.506517 0.496612} Si1 2387 -1 14 {} Si 0.0 {0.309011 0.508417 0.475699} Si2 2388 -1 8 {} O 0.0 {0.301395 0.519883 0.482789} O2 2389 -1 1 {} H 0.0 {0.307163 0.528067 0.482233} H1 2390 -1 8 {} O 0.0 {0.301778 0.494567 0.479122} O3 2391 -1 1 {} H 0.0 {0.296271 0.495773 0.487113} H2 2392 -1 8 {} O 0.0 {0.313637 0.510639 0.460921} O4 2393 -1 1 {} H 0.0 {0.320311 0.503851 0.457545} H3 2394 -1 8 {} O 0.0 {0.323239 0.515635 0.507374} O5 2395 -1 1 {} H 0.0 {0.327308 0.524661 0.507193} H4 2396 -1 8 {} O 0.0 {0.335594 0.494014 0.504018} O6 2397 -1 1 {} H 0.0 {0.337944 0.496791 0.513315} H5 2398 -1 8 {} O 0.0 {0.343376 0.516152 0.494442} O7 2399 -1 1 {} H 0.0 {0.346758 0.513859 0.485544} H6 2400 -1 8 {} O 0.0 {0.630935 0.443963 0.628367} O1 2401 -1 14 {} Si 0.0 {0.630502 0.453354 0.640772} Si1 2402 -1 14 {} Si 0.0 {0.633081 0.430383 0.621118} Si2 2403 -1 8 {} O 0.0 {0.621969 0.419814 0.618002} O2 2404 -1 1 {} H 0.0 {0.639162 0.362873 0.582969} H1 2405 -1 8 {} O 0.0 {0.31518 0.390995 0.605119} O3 2406 -1 1 {} H 0.0 {0.321312 0.410098 0.570721} H2 2407 -1 8 {} O 0.0 {0.639958 0.434825 0.607132} O4 2408 -1 1 {} H 0.0 {0.632941 0.441681 0.603605} H3 2409 -1 8 {} O 0.0 {0.623257 0.46666 0.639255} O5 2410 -1 1 {} H 0.0 {0.628415 0.473084 0.632197} H4 2411 -1 8 {} O 0.0 {0.622294 0.446819 0.652367} O6 2412 -1 1 {} H 0.0 {0.616839 0.440396 0.648394} H5 2413 -1 8 {} O 0.0 {0.64483 0.458118 0.645823} O7 2414 -1 1 {} H 0.0 {0.312662 0.398135 0.59912} H6 2415 -1 8 {} O 0.0 {0.412008 0.59617 0.693143} O1 2416 -1 14 {} Si 0.0 {0.408742 0.61741 0.699651} Si1 2417 -1 14 {} Si 0.0 {0.398976 0.589715 0.688533} Si2 2418 -1 8 {} O 0.0 {0.39828 0.577656 0.698011} O2 2419 -1 1 {} H 0.0 {0.492603 0.341497 0.329875} H1 2420 -1 8 {} O 0.0 {0.401446 0.585409 0.673851} O3 2421 -1 1 {} H 0.0 {0.409103 0.579661 0.671729} H2 2422 -1 8 {} O 0.0 {0.264465 0.617961 0.690086} O4 2423 -1 1 {} H 0.0 {0.256585 0.619769 0.695147} H3 2424 -1 8 {} O 0.0 {0.401729 0.625582 0.711297} O5 2425 -1 1 {} H 0.0 {0.400582 0.63539 0.709184} H4 2426 -1 8 {} O 0.0 {0.410882 0.629979 0.689588} O6 2427 -1 1 {} H 0.0 {0.420163 0.632175 0.689977} H5 2428 -1 8 {} O 0.0 {0.391294 0.60945 0.691432} O7 2429 -1 1 {} H 0.0 {0.388995 0.614497 0.682927} H6 2430 -1 8 {} O 0.0 {0.556076 0.424024 0.550268} O1 2431 -1 14 {} Si 0.0 {0.541165 0.421061 0.547984} Si1 2432 -1 14 {} Si 0.0 {0.569272 0.428648 0.557211} Si2 2433 -1 8 {} O 0.0 {0.577937 0.438918 0.548746} O2 2434 -1 1 {} H 0.0 {0.577995 0.447808 0.552722} H1 2435 -1 8 {} O 0.0 {0.578162 0.416291 0.560997} O3 2436 -1 1 {} H 0.0 {0.587244 0.418325 0.559421} H2 2437 -1 8 {} O 0.0 {0.564876 0.434653 0.571685} O4 2438 -1 1 {} H 0.0 {0.563884 0.426954 0.578723} H3 2439 -1 8 {} O 0.0 {0.530902 0.42736 0.55804} O5 2440 -1 1 {} H 0.0 {0.522464 0.422773 0.556871} H4 2441 -1 8 {} O 0.0 {0.538894 0.426898 0.533896} O6 2442 -1 1 {} H 0.0 {0.542623 0.419893 0.527468} H5 2443 -1 8 {} O 0.0 {0.539104 0.405789 0.545434} O7 2444 -1 1 {} H 0.0 {0.546369 0.402752 0.540994} H6 2445 -1 8 {} O 0.0 {0.657 0.608917 0.513009} O1 2446 -1 14 {} Si 0.0 {0.66704 0.597461 0.514249} Si1 2447 -1 14 {} Si 0.0 {0.643935 0.615628 0.506013} Si2 2448 -1 8 {} O 0.0 {0.646311 0.613205 0.491168} O2 2449 -1 1 {} H 0.0 {0.655569 0.615944 0.488474} H1 2450 -1 8 {} O 0.0 {0.644791 0.630585 0.510134} O3 2451 -1 1 {} H 0.0 {0.639274 0.632126 0.517824} H2 2452 -1 8 {} O 0.0 {0.630704 0.609655 0.511211} O4 2453 -1 1 {} H 0.0 {0.629456 0.612195 0.5207} H3 2454 -1 8 {} O 0.0 {0.658955 0.583889 0.514715} O5 2455 -1 1 {} H 0.0 {0.502835 0.683687 0.539869} H4 2456 -1 8 {} O 0.0 {0.675758 0.597761 0.501352} O6 2457 -1 1 {} H 0.0 {0.655729 0.618126 0.569173} H5 2458 -1 8 {} O 0.0 {0.674409 0.60094 0.52759} O7 2459 -1 1 {} H 0.0 {0.668967 0.596227 0.534911} H6 2460 -1 8 {} O 0.0 {0.544719 0.544612 0.407052} O1 2461 -1 14 {} Si 0.0 {0.544494 0.548716 0.392435} Si1 2462 -1 14 {} Si 0.0 {0.548393 0.544071 0.42262} Si2 2463 -1 8 {} O 0.0 {0.562565 0.538065 0.424946} O2 2464 -1 1 {} H 0.0 {0.567331 0.537532 0.415897} H1 2465 -1 8 {} O 0.0 {0.535025 0.538448 0.429397} O3 2466 -1 1 {} H 0.0 {0.527921 0.544498 0.427031} H2 2467 -1 8 {} O 0.0 {0.548969 0.558909 0.426707} O4 2468 -1 1 {} H 0.0 {0.552188 0.559534 0.436227} H3 2469 -1 8 {} O 0.0 {0.557166 0.554163 0.39041} O5 2470 -1 1 {} H 0.0 {0.555889 0.57054 0.39245} H4 2471 -1 8 {} O 0.0 {0.545914 0.536964 0.381156} O6 2472 -1 1 {} H 0.0 {0.549939 0.529167 0.384828} H5 2473 -1 8 {} O 0.0 {0.528617 0.56334 0.388955} O7 2474 -1 1 {} H 0.0 {0.529686 0.567838 0.397537} H6 2475 -1 8 {} O 0.0 {0.373725 0.361267 0.3418} O1 2476 -1 14 {} Si 0.0 {0.377257 0.366631 0.356223} Si1 2477 -1 14 {} Si 0.0 {0.401212 0.352008 0.352102} Si2 2478 -1 8 {} O 0.0 {0.31252 0.365588 0.407486} O2 2479 -1 1 {} H 0.0 {0.341508 0.440324 0.321607} H1 2480 -1 8 {} O 0.0 {0.372768 0.355554 0.366924} O3 2481 -1 1 {} H 0.0 {0.378719 0.347769 0.367447} H2 2482 -1 8 {} O 0.0 {0.39225 0.364043 0.356949} O4 2483 -1 1 {} H 0.0 {0.330965 0.367767 0.382802} H3 2484 -1 8 {} O 0.0 {0.43916 0.737718 0.399465} O5 2485 -1 1 {} H 0.0 {0.43642 0.727908 0.399127} H4 2486 -1 8 {} O 0.0 {0.340669 0.705599 0.411733} O6 2487 -1 1 {} H 0.0 {0.347473 0.698891 0.408189} H5 2488 -1 8 {} O 0.0 {0.530656 0.482207 0.306346} O7 2489 -1 1 {} H 0.0 {0.117884 0.845 0.1663} H6 2490 -1 8 {} O 0.0 {0.333617 0.585258 0.556049} O1 2491 -1 14 {} Si 0.0 {0.328604 0.594467 0.54453} Si1 2492 -1 14 {} Si 0.0 {0.338175 0.572438 0.564973} Si2 2493 -1 8 {} O 0.0 {0.334656 0.576056 0.580665} O2 2494 -1 1 {} H 0.0 {0.327779 0.571205 0.584674} H1 2495 -1 8 {} O 0.0 {0.35419 0.57111 0.563274} O3 2496 -1 1 {} H 0.0 {0.359317 0.578393 0.567933} H2 2497 -1 8 {} O 0.0 {0.331151 0.558548 0.562777} O4 2498 -1 1 {} H 0.0 {0.331399 0.556585 0.552986} H3 2499 -1 8 {} O 0.0 {0.330058 0.588658 0.530195} O5 2500 -1 1 {} H 0.0 {0.332395 0.595566 0.524006} H4 2501 -1 8 {} O 0.0 {0.311312 0.5991 0.54735} O6 2502 -1 1 {} H 0.0 {0.31082 0.607128 0.553662} H5 2503 -1 8 {} O 0.0 {0.33706 0.607974 0.543363} O7 2504 -1 1 {} H 0.0 {0.345632 0.606459 0.548413} H6 2505 -1 8 {} O 0.0 {0.624845 0.345412 0.412546} O1 2506 -1 14 {} Si 0.0 {0.631959 0.352268 0.399933} Si1 2507 -1 14 {} Si 0.0 {0.627701 0.338051 0.426631} Si2 2508 -1 8 {} O 0.0 {0.624282 0.347732 0.438752} O2 2509 -1 1 {} H 0.0 {0.62084 0.340379 0.347787} H1 2510 -1 8 {} O 0.0 {0.643431 0.337847 0.427232} O3 2511 -1 1 {} H 0.0 {0.64632 0.342033 0.435393} H2 2512 -1 8 {} O 0.0 {0.62051 0.324699 0.429141} O4 2513 -1 1 {} H 0.0 {0.611345 0.323984 0.425586} H3 2514 -1 8 {} O 0.0 {0.632253 0.367879 0.401063} O5 2515 -1 1 {} H 0.0 {0.624857 0.370551 0.406281} H4 2516 -1 8 {} O 0.0 {0.646445 0.346366 0.40077} O6 2517 -1 1 {} H 0.0 {0.649048 0.345941 0.41003} H5 2518 -1 8 {} O 0.0 {0.624726 0.348665 0.386186} O7 2519 -1 1 {} H 0.0 {0.632022 0.345748 0.380165} H6 2520 -1 8 {} O 0.0 {0.653304 0.377786 0.486155} O1 2521 -1 14 {} Si 0.0 {0.639974 0.37846 0.493461} Si1 2522 -1 14 {} Si 0.0 {0.668771 0.374889 0.484488} Si2 2523 -1 8 {} O 0.0 {0.674999 0.385467 0.494018} O2 2524 -1 1 {} H 0.0 {0.680357 0.3921 0.48976} H1 2525 -1 8 {} O 0.0 {0.676187 0.377494 0.471215} O3 2526 -1 1 {} H 0.0 {0.616107 0.337569 0.541284} H2 2527 -1 8 {} O 0.0 {0.670246 0.360746 0.491144} O4 2528 -1 1 {} H 0.0 {0.663937 0.360321 0.49834} H3 2529 -1 8 {} O 0.0 {0.628446 0.374678 0.483546} O5 2530 -1 1 {} H 0.0 {0.62806 0.377741 0.474266} H4 2531 -1 8 {} O 0.0 {0.641198 0.368628 0.505304} O6 2532 -1 1 {} H 0.0 {0.633361 0.363061 0.507692} H5 2533 -1 8 {} O 0.0 {0.637257 0.392737 0.498541} O7 2534 -1 1 {} H 0.0 {0.669628 0.399994 0.467637} H6 2535 -1 8 {} O 0.0 {0.377457 0.325358 0.607334} O1 2536 -1 14 {} Si 0.0 {0.388142 0.313905 0.605188} Si1 2537 -1 14 {} Si 0.0 {0.366869 0.33658 0.606702} Si2 2538 -1 8 {} O 0.0 {0.3597 0.336881 0.620306} O2 2539 -1 1 {} H 0.0 {0.348214 0.330058 0.628905} H1 2540 -1 8 {} O 0.0 {0.357027 0.333712 0.595177} O3 2541 -1 1 {} H 0.0 {0.350442 0.341415 0.592698} H2 2542 -1 8 {} O 0.0 {0.374381 0.349849 0.603924} O4 2543 -1 1 {} H 0.0 {0.40123 0.308023 0.647492} H3 2544 -1 8 {} O 0.0 {0.385194 0.301131 0.613528} O5 2545 -1 1 {} H 0.0 {0.453266 0.320812 0.6522} H4 2546 -1 8 {} O 0.0 {0.401732 0.319893 0.609771} O6 2547 -1 1 {} H 0.0 {0.40729 0.312935 0.614277} H5 2548 -1 8 {} O 0.0 {0.632348 0.52496 0.467107} O7 2549 -1 1 {} H 0.0 {0.631691 0.516003 0.464722} H6 2550 -1 8 {} O 0.0 {0.550526 0.534395 0.497402} O1 2551 -1 14 {} Si 0.0 {0.550366 0.521031 0.504658} Si1 2552 -1 14 {} Si 0.0 {0.548919 0.547588 0.48972} Si2 2553 -1 8 {} O 0.0 {0.547327 0.546255 0.474223} O2 2554 -1 1 {} H 0.0 {0.544488 0.536757 0.471421} H1 2555 -1 8 {} O 0.0 {0.561657 0.555623 0.493883} O3 2556 -1 1 {} H 0.0 {0.559486 0.561442 0.50129} H2 2557 -1 8 {} O 0.0 {0.537565 0.555821 0.495776} O4 2558 -1 1 {} H 0.0 {0.532432 0.550372 0.501488} H3 2559 -1 8 {} O 0.0 {0.564663 0.515092 0.505966} O5 2560 -1 1 {} H 0.0 {0.569038 0.51659 0.514699} H4 2561 -1 8 {} O 0.0 {0.543831 0.521269 0.51835} O6 2562 -1 1 {} H 0.0 {0.542658 0.512703 0.522798} H5 2563 -1 8 {} O 0.0 {0.540497 0.511629 0.497113} O7 2564 -1 1 {} H 0.0 {0.531045 0.509275 0.49771} H6 2565 -1 8 {} O 0.0 {0.361934 0.499619 0.338541} O1 2566 -1 14 {} Si 0.0 {0.696861 0.50318 0.358266} Si1 2567 -1 14 {} Si 0.0 {0.370577 0.498549 0.349268} Si2 2568 -1 8 {} O 0.0 {0.36103 0.497655 0.361744} O2 2569 -1 1 {} H 0.0 {0.354755 0.490362 0.361604} H1 2570 -1 8 {} O 0.0 {0.354838 0.513142 0.626367} O3 2571 -1 1 {} H 0.0 {0.32675 0.513806 0.629606} H2 2572 -1 8 {} O 0.0 {0.386152 0.515934 0.347943} O4 2573 -1 1 {} H 0.0 {0.396065 0.511133 0.345767} H3 2574 -1 8 {} O 0.0 {0.688278 0.494929 0.368782} O5 2575 -1 1 {} H 0.0 {0.690569 0.497925 0.37814} H4 2576 -1 8 {} O 0.0 {0.708593 0.511674 0.364059} O6 2577 -1 1 {} H 0.0 {0.614832 0.48433 0.315708} H5 2578 -1 8 {} O 0.0 {0.687259 0.514739 0.354578} O7 2579 -1 1 {} H 0.0 {0.581919 0.654166 0.542215} H6 2580 -1 8 {} O 0.0 {0.657311 0.487696 0.475205} O1 2581 -1 14 {} Si 0.0 {0.647753 0.485665 0.463142} Si1 2582 -1 14 {} Si 0.0 {0.664356 0.492408 0.488099} Si2 2583 -1 8 {} O 0.0 {0.274337 0.528868 0.500015} O2 2584 -1 1 {} H 0.0 {0.280497 0.52946 0.492972} H1 2585 -1 8 {} O 0.0 {0.662129 0.482809 0.497697} O3 2586 -1 1 {} H 0.0 {0.638231 0.483216 0.427988} H2 2587 -1 8 {} O 0.0 {0.660818 0.507133 0.493453} O4 2588 -1 1 {} H 0.0 {0.651391 0.509072 0.495648} H3 2589 -1 8 {} O 0.0 {0.635577 0.494106 0.466777} O5 2590 -1 1 {} H 0.0 {0.627569 0.488562 0.466942} H4 2591 -1 8 {} O 0.0 {0.653122 0.490582 0.449171} O6 2592 -1 1 {} H 0.0 {0.656046 0.500106 0.449083} H5 2593 -1 8 {} O 0.0 {0.643992 0.470407 0.462558} O7 2594 -1 1 {} H 0.0 {0.651657 0.465438 0.459684} H6 2595 -1 8 {} O 0.0 {0.284521 0.600347 0.581425} O1 2596 -1 14 {} Si 0.0 {0.288565 0.614478 0.575847} Si1 2597 -1 14 {} Si 0.0 {0.288662 0.586892 0.588671} Si2 2598 -1 8 {} O 0.0 {0.3025 0.588 0.595819} O2 2599 -1 1 {} H 0.0 {0.308127 0.580218 0.592111} H1 2600 -1 8 {} O 0.0 {0.291266 0.575946 0.577603} O3 2601 -1 1 {} H 0.0 {0.285543 0.56824 0.580412} H2 2602 -1 8 {} O 0.0 {0.277362 0.582165 0.598395} O4 2603 -1 1 {} H 0.0 {0.268889 0.582743 0.593997} H3 2604 -1 8 {} O 0.0 {0.302176 0.615571 0.568089} O5 2605 -1 1 {} H 0.0 {0.310423 0.615933 0.574277} H4 2606 -1 8 {} O 0.0 {0.277036 0.620975 0.567068} O6 2607 -1 1 {} H 0.0 {0.277703 0.616852 0.557822} H5 2608 -1 8 {} O 0.0 {0.288897 0.623595 0.589521} O7 2609 -1 1 {} H 0.0 {0.283791 0.619545 0.595881} H6 2610 -1 8 {} O 0.0 {0.553657 0.429265 0.419551} O1 2611 -1 14 {} Si 0.0 {0.555051 0.420925 0.432277} Si1 2612 -1 14 {} Si 0.0 {0.552159 0.437679 0.407078} Si2 2613 -1 8 {} O 0.0 {0.566715 0.441855 0.40223} O2 2614 -1 1 {} H 0.0 {0.568032 0.451494 0.403851} H1 2615 -1 8 {} O 0.0 {0.542947 0.450439 0.409397} O3 2616 -1 1 {} H 0.0 {0.534347 0.448217 0.405287} H2 2617 -1 8 {} O 0.0 {0.54642 0.429096 0.395747} O4 2618 -1 1 {} H 0.0 {0.539905 0.422928 0.399724} H3 2619 -1 8 {} O 0.0 {0.548943 0.407629 0.428836} O5 2620 -1 1 {} H 0.0 {0.553091 0.403738 0.421271} H4 2621 -1 8 {} O 0.0 {0.568919 0.417676 0.437763} O6 2622 -1 1 {} H 0.0 {0.56818 0.412581 0.446453} H5 2623 -1 8 {} O 0.0 {0.545994 0.426354 0.444002} O7 2624 -1 1 {} H 0.0 {0.536242 0.427538 0.441142} H6 2625 -1 8 {} O 0.0 {0.310797 0.402488 0.550462} O1 2626 -1 14 {} Si 0.0 {0.319881 0.393854 0.541682} Si1 2627 -1 14 {} Si 0.0 {0.302411 0.406489 0.563291} Si2 2628 -1 8 {} O 0.0 {0.312277 0.412024 0.573798} O2 2629 -1 1 {} H 0.0 {0.331585 0.342008 0.535003} H1 2630 -1 8 {} O 0.0 {0.29314 0.395153 0.5694} O3 2631 -1 1 {} H 0.0 {0.298157 0.38702 0.570289} H2 2632 -1 8 {} O 0.0 {0.293196 0.419157 0.559659} O4 2633 -1 1 {} H 0.0 {0.291743 0.41976 0.550225} H3 2634 -1 8 {} O 0.0 {0.319599 0.399178 0.52664} O5 2635 -1 1 {} H 0.0 {0.319764 0.391601 0.520549} H4 2636 -1 8 {} O 0.0 {0.334501 0.394448 0.547692} O6 2637 -1 1 {} H 0.0 {0.334461 0.401358 0.554608} H5 2638 -1 8 {} O 0.0 {0.315266 0.37933 0.54268} O7 2639 -1 1 {} H 0.0 {0.311253 0.37754 0.551442} H6 2640 -1 8 {} O 0.0 {0.502485 0.439983 0.484527} O1 2641 -1 14 {} Si 0.0 {0.491486 0.429943 0.480669} Si1 2642 -1 14 {} Si 0.0 {0.516673 0.445869 0.485696} Si2 2643 -1 8 {} O 0.0 {0.519279 0.461026 0.485733} O2 2644 -1 1 {} H 0.0 {0.521732 0.463093 0.476313} H1 2645 -1 8 {} O 0.0 {0.524822 0.441683 0.473461} O3 2646 -1 1 {} H 0.0 {0.533988 0.439367 0.475971} H2 2647 -1 8 {} O 0.0 {0.523537 0.439141 0.497623} O4 2648 -1 1 {} H 0.0 {0.522364 0.444864 0.505037} H3 2649 -1 8 {} O 0.0 {0.488988 0.417187 0.489933} O5 2650 -1 1 {} H 0.0 {0.494594 0.410204 0.488652} H4 2651 -1 8 {} O 0.0 {0.478087 0.439022 0.478274} O6 2652 -1 1 {} H 0.0 {0.471291 0.435476 0.484126} H5 2653 -1 8 {} O 0.0 {0.494334 0.426778 0.465974} O7 2654 -1 1 {} H 0.0 {0.49146 0.430933 0.457872} H6 2655 -1 8 {} O 0.0 {0.406656 0.638789 0.409243} O1 2656 -1 14 {} Si 0.0 {0.399106 0.627528 0.416126} Si1 2657 -1 14 {} Si 0.0 {0.435379 0.652192 0.432793} Si2 2658 -1 8 {} O 0.0 {0.427753 0.643281 0.4436} O2 2659 -1 1 {} H 0.0 {0.420479 0.638102 0.440003} H1 2660 -1 8 {} O 0.0 {0.438865 0.665815 0.438502} O3 2661 -1 1 {} H 0.0 {0.396841 0.669588 0.413201} H2 2662 -1 8 {} O 0.0 {0.447474 0.644611 0.426589} O4 2663 -1 1 {} H 0.0 {0.451637 0.650728 0.419877} H3 2664 -1 8 {} O 0.0 {0.405452 0.625776 0.430055} O5 2665 -1 1 {} H 0.0 {0.404815 0.616383 0.433719} H4 2666 -1 8 {} O 0.0 {0.38434 0.630513 0.420112} O6 2667 -1 1 {} H 0.0 {0.432361 0.637034 0.397717} H5 2668 -1 8 {} O 0.0 {0.400203 0.613386 0.4094} O7 2669 -1 1 {} H 0.0 {0.41822 0.665488 0.486056} H6 2670 -1 8 {} O 0.0 {0.467977 0.432986 0.340495} O1 2671 -1 14 {} Si 0.0 {0.457039 0.421811 0.340391} Si1 2672 -1 14 {} Si 0.0 {0.479285 0.441482 0.33425} Si2 2673 -1 8 {} O 0.0 {0.487646 0.449372 0.345627} O2 2674 -1 1 {} H 0.0 {0.488381 0.444177 0.35346} H1 2675 -1 8 {} O 0.0 {0.471677 0.451146 0.324351} O3 2676 -1 1 {} H 0.0 {0.463068 0.452614 0.328275} H2 2677 -1 8 {} O 0.0 {0.361143 0.394279 0.729372} O4 2678 -1 1 {} H 0.0 {0.363648 0.398968 0.721296} H3 2679 -1 8 {} O 0.0 {0.442701 0.426741 0.342387} O5 2680 -1 1 {} H 0.0 {0.441322 0.435902 0.340618} H4 2681 -1 8 {} O 0.0 {0.45911 0.41321 0.327728} O6 2682 -1 1 {} H 0.0 {0.467698 0.413702 0.324478} H5 2683 -1 8 {} O 0.0 {0.459798 0.416184 0.355359} O7 2684 -1 1 {} H 0.0 {0.466657 0.420997 0.360066} H6 2685 -1 8 {} O 0.0 {0.497415 0.649893 0.326397} O1 2686 -1 14 {} Si 0.0 {0.484598 0.641521 0.326009} Si1 2687 -1 14 {} Si 0.0 {0.481045 0.603865 0.730147} Si2 2688 -1 8 {} O 0.0 {0.468769 0.597447 0.728385} O2 2689 -1 1 {} H 0.0 {0.506476 0.587448 0.684917} H1 2690 -1 8 {} O 0.0 {0.492521 0.596081 0.722814} O3 2691 -1 1 {} H 0.0 {0.495905 0.593806 0.713923} H2 2692 -1 8 {} O 0.0 {0.479242 0.618404 0.723567} O4 2693 -1 1 {} H 0.0 {0.476361 0.619895 0.714457} H3 2694 -1 8 {} O 0.0 {0.475482 0.646961 0.336948} O5 2695 -1 1 {} H 0.0 {0.498463 0.640976 0.354289} H4 2696 -1 8 {} O 0.0 {0.477973 0.645109 0.312075} O6 2697 -1 1 {} H 0.0 {0.576372 0.688548 0.416821} H5 2698 -1 8 {} O 0.0 {0.486632 0.627037 0.33007} O7 2699 -1 1 {} H 0.0 {0.489072 0.625792 0.34066} H6 2700 -1 8 {} O 0.0 {0.655689 0.441466 0.412977} O1 2701 -1 14 {} Si 0.0 {0.647494 0.428481 0.41609} Si1 2702 -1 14 {} Si 0.0 {0.66717 0.452163 0.413076} Si2 2703 -1 8 {} O 0.0 {0.680417 0.44679 0.419542} O2 2704 -1 1 {} H 0.0 {0.677957 0.443155 0.428276} H1 2705 -1 8 {} O 0.0 {0.6619 0.463832 0.421942} O3 2706 -1 1 {} H 0.0 {0.651722 0.464704 0.421564} H2 2707 -1 8 {} O 0.0 {0.668256 0.457349 0.398256} O4 2708 -1 1 {} H 0.0 {0.659356 0.457445 0.393879} H3 2709 -1 8 {} O 0.0 {0.634485 0.427174 0.407709} O5 2710 -1 1 {} H 0.0 {0.630129 0.418438 0.409021} H4 2711 -1 8 {} O 0.0 {0.654395 0.414977 0.412209} O6 2712 -1 1 {} H 0.0 {0.660961 0.415614 0.404537} H5 2713 -1 8 {} O 0.0 {0.642133 0.425738 0.430904} O7 2714 -1 1 {} H 0.0 {0.642576 0.416213 0.432819} H6 2715 -1 8 {} O 0.0 {0.424836 0.677645 0.456225} O1 2716 -1 14 {} Si 0.0 {0.438906 0.677528 0.449021} Si1 2717 -1 14 {} Si 0.0 {0.414267 0.672382 0.466428} Si2 2718 -1 8 {} O 0.0 {0.412518 0.657486 0.464064} O2 2719 -1 1 {} H 0.0 {0.418663 0.654328 0.457312} H1 2720 -1 8 {} O 0.0 {0.400091 0.678992 0.463407} O3 2721 -1 1 {} H 0.0 {0.399416 0.681028 0.453783} H2 2722 -1 8 {} O 0.0 {0.420712 0.673832 0.480611} O4 2723 -1 1 {} H 0.0 {0.375645 0.60264 0.450481} H3 2724 -1 8 {} O 0.0 {0.439772 0.690237 0.439844} O5 2725 -1 1 {} H 0.0 {0.433443 0.690319 0.432524} H4 2726 -1 8 {} O 0.0 {0.420255 0.280979 0.568035} O6 2727 -1 1 {} H 0.0 {0.426375 0.282211 0.575571} H5 2728 -1 8 {} O 0.0 {0.358724 0.323538 0.519246} O7 2729 -1 1 {} H 0.0 {0.353666 0.327211 0.512483} H6 2730 -1 8 {} O 0.0 {0.430336 0.559309 0.408129} O1 2731 -1 14 {} Si 0.0 {0.426879 0.564612 0.422364} Si1 2732 -1 14 {} Si 0.0 {0.430895 0.558747 0.392581} Si2 2733 -1 8 {} O 0.0 {0.427012 0.572842 0.387429} O2 2734 -1 1 {} H 0.0 {0.430578 0.580317 0.393139} H1 2735 -1 8 {} O 0.0 {0.42121 0.549115 0.385076} O3 2736 -1 1 {} H 0.0 {0.412755 0.549541 0.38899} H2 2737 -1 8 {} O 0.0 {0.446184 0.559919 0.388318} O4 2738 -1 1 {} H 0.0 {0.450905 0.563338 0.395304} H3 2739 -1 8 {} O 0.0 {0.436629 0.560924 0.434323} O5 2740 -1 1 {} H 0.0 {0.44305 0.554295 0.432124} H4 2741 -1 8 {} O 0.0 {0.424712 0.580119 0.420385} O6 2742 -1 1 {} H 0.0 {0.417655 0.580754 0.413098} H5 2743 -1 8 {} O 0.0 {0.414024 0.556634 0.426455} O7 2744 -1 1 {} H 0.0 {0.416351 0.550189 0.433085} H6 2745 -1 8 {} O 0.0 {0.46136 0.504352 0.588384} O1 2746 -1 14 {} Si 0.0 {0.46113 0.488661 0.58955} Si1 2747 -1 14 {} Si 0.0 {0.463602 0.518617 0.594727} Si2 2748 -1 8 {} O 0.0 {0.478117 0.521829 0.597492} O2 2749 -1 1 {} H 0.0 {0.479334 0.527106 0.606186} H1 2750 -1 8 {} O 0.0 {0.455126 0.520388 0.607217} O3 2751 -1 1 {} H 0.0 {0.446352 0.516105 0.605942} H2 2752 -1 8 {} O 0.0 {0.458529 0.528431 0.584124} O4 2753 -1 1 {} H 0.0 {0.46312 0.526784 0.575193} H3 2754 -1 8 {} O 0.0 {0.44856 0.481458 0.583118} O5 2755 -1 1 {} H 0.0 {0.442074 0.489319 0.57996} H4 2756 -1 8 {} O 0.0 {0.474042 0.484003 0.58184} O6 2757 -1 1 {} H 0.0 {0.476318 0.490777 0.576293} H5 2758 -1 8 {} O 0.0 {0.464344 0.486736 0.60487} O7 2759 -1 1 {} H 0.0 {0.456761 0.483086 0.609826} H6 2760 -1 8 {} O 0.0 {0.368542 0.357639 0.317236} O1 2761 -1 14 {} Si 0.0 {0.36045 0.368018 0.30867} Si1 2762 -1 14 {} Si 0.0 {0.3722 0.350239 0.33072} Si2 2763 -1 8 {} O 0.0 {0.460778 0.703915 0.382602} O2 2764 -1 1 {} H 0.0 {0.462602 0.698291 0.390232} H1 2765 -1 8 {} O 0.0 {0.387014 0.345916 0.328943} O3 2766 -1 1 {} H 0.0 {0.435162 0.349469 0.354673} H2 2767 -1 8 {} O 0.0 {0.36422 0.337408 0.335401} O4 2768 -1 1 {} H 0.0 {0.369963 0.329399 0.335507} H3 2769 -1 8 {} O 0.0 {0.350709 0.374015 0.318825} O5 2770 -1 1 {} H 0.0 {0.412401 0.412808 0.330858} H4 2771 -1 8 {} O 0.0 {0.371747 0.378811 0.305746} O6 2772 -1 1 {} H 0.0 {0.380826 0.374771 0.305476} H5 2773 -1 8 {} O 0.0 {0.355826 0.35988 0.297063} O7 2774 -1 1 {} H 0.0 {0.352296 0.351176 0.29991} H6 2775 -1 8 {} O 0.0 {0.543168 0.383223 0.649938} O1 2776 -1 14 {} Si 0.0 {0.53048 0.374396 0.645435} Si1 2777 -1 14 {} Si 0.0 {0.55833 0.383215 0.654715} Si2 2778 -1 8 {} O 0.0 {0.564444 0.369375 0.659882} O2 2779 -1 1 {} H 0.0 {0.572117 0.371804 0.665894} H1 2780 -1 8 {} O 0.0 {0.559381 0.393768 0.66683} O3 2781 -1 1 {} H 0.0 {0.550565 0.398115 0.667657} H2 2782 -1 8 {} O 0.0 {0.567886 0.389288 0.642553} O4 2783 -1 1 {} H 0.0 {0.570378 0.397709 0.644451} H3 2784 -1 8 {} O 0.0 {0.520241 0.373238 0.657203} O5 2785 -1 1 {} H 0.0 {0.523396 0.378758 0.664802} H4 2786 -1 8 {} O 0.0 {0.522811 0.382427 0.634661} O6 2787 -1 1 {} H 0.0 {0.526178 0.391979 0.635253} H5 2788 -1 8 {} O 0.0 {0.536329 0.361907 0.637964} O7 2789 -1 1 {} H 0.0 {0.542464 0.364928 0.630804} H6 2790 -1 8 {} O 0.0 {0.319262 0.414502 0.433444} O1 2791 -1 14 {} Si 0.0 {0.318653 0.419298 0.448571} Si1 2792 -1 14 {} Si 0.0 {0.316215 0.4171 0.418341} Si2 2793 -1 8 {} O 0.0 {0.307867 0.405518 0.411647} O2 2794 -1 1 {} H 0.0 {0.313169 0.397551 0.411397} H1 2795 -1 8 {} O 0.0 {0.330076 0.41675 0.411958} O3 2796 -1 1 {} H 0.0 {0.334114 0.425145 0.411097} H2 2797 -1 8 {} O 0.0 {0.310638 0.431474 0.41724} O4 2798 -1 1 {} H 0.0 {0.656367 0.378839 0.410628} H3 2799 -1 8 {} O 0.0 {0.332637 0.422347 0.453661} O5 2800 -1 1 {} H 0.0 {0.339279 0.414813 0.451993} H4 2801 -1 8 {} O 0.0 {0.30889 0.095188 0.636728} O6 2802 -1 1 {} H 0.0 {0.313562 0.0994971 0.643883} H5 2803 -1 8 {} O 0.0 {0.312852 0.406682 0.456139} O7 2804 -1 1 {} H 0.0 {0.314338 0.398882 0.450154} H6 2805 -1 8 {} O 0.0 {0.439464 0.436203 0.441539} O1 2806 -1 14 {} Si 0.0 {0.435555 0.422211 0.446583} Si1 2807 -1 14 {} Si 0.0 {0.43632 0.451196 0.43674} Si2 2808 -1 8 {} O 0.0 {0.442187 0.45645 0.423101} O2 2809 -1 1 {} H 0.0 {0.437508 0.464586 0.420407} H1 2810 -1 8 {} O 0.0 {0.444056 0.460082 0.447006} O3 2811 -1 1 {} H 0.0 {0.452202 0.463368 0.442432} H2 2812 -1 8 {} O 0.0 {0.421534 0.454897 0.440056} O4 2813 -1 1 {} H 0.0 {0.420993 0.456632 0.449778} H3 2814 -1 8 {} O 0.0 {0.441208 0.418827 0.460614} O5 2815 -1 1 {} H 0.0 {0.440423 0.425936 0.467209} H4 2816 -1 8 {} O 0.0 {0.419703 0.419718 0.445629} O6 2817 -1 1 {} H 0.0 {0.417034 0.414047 0.452569} H5 2818 -1 8 {} O 0.0 {0.442654 0.411433 0.436937} O7 2819 -1 1 {} H 0.0 {0.451883 0.414553 0.435007} H6 2820 -1 8 {} O 0.0 {0.477716 0.629041 0.672419} O1 2821 -1 14 {} Si 0.0 {0.491528 0.629135 0.664424} Si1 2822 -1 14 {} Si 0.0 {0.466145 0.629464 0.682153} Si2 2823 -1 8 {} O 0.0 {0.472357 0.62283 0.69524} O2 2824 -1 1 {} H 0.0 {0.473644 0.613031 0.693533} H1 2825 -1 8 {} O 0.0 {0.45553 0.619991 0.677719} O3 2826 -1 1 {} H 0.0 {0.450855 0.613287 0.671962} H2 2827 -1 8 {} O 0.0 {0.460761 0.643594 0.68382} O4 2828 -1 1 {} H 0.0 {0.425037 0.607787 0.709255} H3 2829 -1 8 {} O 0.0 {0.493456 0.64326 0.657438} O5 2830 -1 1 {} H 0.0 {0.485537 0.648141 0.655817} H4 2831 -1 8 {} O 0.0 {0.501778 0.624572 0.675395} O6 2832 -1 1 {} H 0.0 {0.498929 0.616098 0.679947} H5 2833 -1 8 {} O 0.0 {0.490455 0.61764 0.654324} O7 2834 -1 1 {} H 0.0 {0.497259 0.618326 0.64763} H6 2835 -1 8 {} O 0.0 {0.368574 0.481574 0.651151} O1 2836 -1 14 {} Si 0.0 {0.356106 0.473042 0.655022} Si1 2837 -1 14 {} Si 0.0 {0.382134 0.488599 0.649419} Si2 2838 -1 8 {} O 0.0 {0.387923 0.484486 0.635875} O2 2839 -1 1 {} H 0.0 {0.382253 0.487002 0.621386} H1 2840 -1 8 {} O 0.0 {0.392403 0.484248 0.659743} O3 2841 -1 1 {} H 0.0 {0.369908 0.391255 0.732802} H2 2842 -1 8 {} O 0.0 {0.3806 0.504196 0.649982} O4 2843 -1 1 {} H 0.0 {0.401209 0.492584 0.662541} H3 2844 -1 8 {} O 0.0 {0.360618 0.466708 0.668534} O5 2845 -1 1 {} H 0.0 {0.36864 0.47026 0.671978} H4 2846 -1 8 {} O 0.0 {0.353349 0.461096 0.64607} O6 2847 -1 1 {} H 0.0 {0.361496 0.455669 0.644621} H5 2848 -1 8 {} O 0.0 {0.344132 0.483762 0.655013} O7 2849 -1 1 {} H 0.0 {0.34591 0.490833 0.64897} H6 2850 -1 8 {} O 0.0 {0.627538 0.385307 0.651395} O1 2851 -1 14 {} Si 0.0 {0.614452 0.395545 0.649713} Si1 2852 -1 14 {} Si 0.0 {0.636115 0.373208 0.65466} Si2 2853 -1 8 {} O 0.0 {0.631175 0.367174 0.668338} O2 2854 -1 1 {} H 0.0 {0.63296 0.356917 0.667379} H1 2855 -1 8 {} O 0.0 {0.651805 0.376004 0.650992} O3 2856 -1 1 {} H 0.0 {0.652775 0.383882 0.645152} H2 2857 -1 8 {} O 0.0 {0.632025 0.364581 0.641697} O4 2858 -1 1 {} H 0.0 {0.628847 0.370607 0.634894} H3 2859 -1 8 {} O 0.0 {0.616369 0.401544 0.63602} O5 2860 -1 1 {} H 0.0 {0.621585 0.411701 0.624753} H4 2861 -1 8 {} O 0.0 {0.601967 0.387334 0.653133} O6 2862 -1 1 {} H 0.0 {0.598195 0.382027 0.645611} H5 2863 -1 8 {} O 0.0 {0.615154 0.407943 0.659763} O7 2864 -1 1 {} H 0.0 {0.610466 0.415815 0.657505} H6 2865 -1 8 {} O 0.0 {0.659372 0.345811 0.569226} O1 2866 -1 14 {} Si 0.0 {0.648259 0.343237 0.580287} Si1 2867 -1 14 {} Si 0.0 {0.670057 0.342889 0.558471} Si2 2868 -1 8 {} O 0.0 {0.68255 0.337073 0.565708} O2 2869 -1 1 {} H 0.0 {0.683533 0.327629 0.564027} H1 2870 -1 8 {} O 0.0 {0.674393 0.355533 0.549655} O3 2871 -1 1 {} H 0.0 {0.673511 0.363625 0.554342} H2 2872 -1 8 {} O 0.0 {0.664012 0.333654 0.547679} O4 2873 -1 1 {} H 0.0 {0.662729 0.338689 0.539325} H3 2874 -1 8 {} O 0.0 {0.638652 0.335092 0.574742} O5 2875 -1 1 {} H 0.0 {0.669599 0.429933 0.502114} H4 2876 -1 8 {} O 0.0 {0.644629 0.356192 0.587574} O6 2877 -1 1 {} H 0.0 {0.634275 0.41798 0.577782} H5 2878 -1 8 {} O 0.0 {0.301202 0.340669 0.568643} O7 2879 -1 1 {} H 0.0 {0.2939 0.341498 0.563217} H6 2880 -1 8 {} O 0.0 {0.416521 0.613974 0.551535} O1 2881 -1 14 {} Si 0.0 {0.400847 0.613797 0.548295} Si1 2882 -1 14 {} Si 0.0 {0.429251 0.621781 0.5566} Si2 2883 -1 8 {} O 0.0 {0.431134 0.618188 0.571766} O2 2884 -1 1 {} H 0.0 {0.432603 0.609533 0.573939} H1 2885 -1 8 {} O 0.0 {0.425709 0.637471 0.554535} O3 2886 -1 1 {} H 0.0 {0.41659 0.638528 0.552203} H2 2887 -1 8 {} O 0.0 {0.441163 0.619063 0.547111} O4 2888 -1 1 {} H 0.0 {0.442656 0.609329 0.54588} H3 2889 -1 8 {} O 0.0 {0.394681 0.599551 0.551702} O5 2890 -1 1 {} H 0.0 {0.401086 0.595322 0.557393} H4 2891 -1 8 {} O 0.0 {0.394636 0.624671 0.556913} O6 2892 -1 1 {} H 0.0 {0.385516 0.62119 0.559546} H5 2893 -1 8 {} O 0.0 {0.39996 0.615631 0.532196} O7 2894 -1 1 {} H 0.0 {0.406537 0.61046 0.527695} H6 2895 -1 8 {} O 0.0 {0.305419 0.514199 0.563146} O1 2896 -1 14 {} Si 0.0 {0.320168 0.517715 0.567069} Si1 2897 -1 14 {} Si 0.0 {0.654286 0.435244 0.544468} Si2 2898 -1 8 {} O 0.0 {0.642486 0.440718 0.553719} O2 2899 -1 1 {} H 0.0 {0.637604 0.434489 0.55982} H1 2900 -1 8 {} O 0.0 {0.291073 0.51972 0.544606} O3 2901 -1 1 {} H 0.0 {0.641425 0.422314 0.530866} H2 2902 -1 8 {} O 0.0 {0.655285 0.45821 0.512606} O4 2903 -1 1 {} H 0.0 {0.657903 0.465584 0.506451} H3 2904 -1 8 {} O 0.0 {0.325382 0.504849 0.574327} O5 2905 -1 1 {} H 0.0 {0.327871 0.497079 0.569149} H4 2906 -1 8 {} O 0.0 {0.327171 0.518424 0.554788} O6 2907 -1 1 {} H 0.0 {0.280384 0.570486 0.484761} H5 2908 -1 8 {} O 0.0 {0.283055 0.561502 0.482979} O7 2909 -1 1 {} H 0.0 {0.3141 0.528782 0.542914} H6 2910 -1 8 {} O 0.0 {0.537874 0.626522 0.657436} O1 2911 -1 14 {} Si 0.0 {0.533856 0.622899 0.643102} Si1 2912 -1 14 {} Si 0.0 {0.537603 0.634333 0.671067} Si2 2913 -1 8 {} O 0.0 {0.531457 0.623734 0.680654} O2 2914 -1 1 {} H 0.0 {0.524248 0.605078 0.676393} H1 2915 -1 8 {} O 0.0 {0.529144 0.64747 0.670211} O3 2916 -1 1 {} H 0.0 {0.519989 0.646344 0.667078} H2 2917 -1 8 {} O 0.0 {0.551934 0.637286 0.676905} O4 2918 -1 1 {} H 0.0 {0.543268 0.661626 0.700575} H3 2919 -1 8 {} O 0.0 {0.517724 0.621889 0.642246} O5 2920 -1 1 {} H 0.0 {0.556483 0.628677 0.678022} H4 2921 -1 8 {} O 0.0 {0.539653 0.63341 0.632686} O6 2922 -1 1 {} H 0.0 {0.545545 0.640255 0.637412} H5 2923 -1 8 {} O 0.0 {0.538709 0.608573 0.640791} O7 2924 -1 1 {} H 0.0 {0.54905 0.607279 0.639952} H6 2925 -1 8 {} O 0.0 {0.426705 0.714389 0.395874} O1 2926 -1 14 {} Si 0.0 {0.42376 0.7084 0.414761} Si1 2927 -1 14 {} Si 0.0 {0.423055 0.713588 0.381327} Si2 2928 -1 8 {} O 0.0 {0.408984 0.70607 0.380451} O2 2929 -1 1 {} H 0.0 {0.401621 0.710589 0.385319} H1 2930 -1 8 {} O 0.0 {0.43495 0.70553 0.376088} O3 2931 -1 1 {} H 0.0 {0.444316 0.706784 0.380069} H2 2932 -1 8 {} O 0.0 {0.425644 0.727747 0.375252} O4 2933 -1 1 {} H 0.0 {0.430262 0.733481 0.381795} H3 2934 -1 8 {} O 0.0 {0.420309 0.69537 0.421781} O5 2935 -1 1 {} H 0.0 {0.447001 0.680477 0.39035} H4 2936 -1 8 {} O 0.0 {0.413476 0.718386 0.422118} O6 2937 -1 1 {} H 0.0 {0.440109 0.74012 0.408478} H5 2938 -1 8 {} O 0.0 {0.422249 0.687399 0.406447} O7 2939 -1 1 {} H 0.0 {0.40773 0.328035 0.454729} H6 2940 -1 8 {} O 0.0 {0.39314 0.433897 0.529954} O1 2941 -1 14 {} Si 0.0 {0.382096 0.440893 0.538215} Si1 2942 -1 14 {} Si 0.0 {0.406673 0.426347 0.528253} Si2 2943 -1 8 {} O 0.0 {0.406365 0.414743 0.538899} O2 2944 -1 1 {} H 0.0 {0.405035 0.406571 0.533595} H1 2945 -1 8 {} O 0.0 {0.416817 0.436489 0.534425} O3 2946 -1 1 {} H 0.0 {0.417297 0.434977 0.543954} H2 2947 -1 8 {} O 0.0 {0.412018 0.422091 0.514514} O4 2948 -1 1 {} H 0.0 {0.421729 0.423013 0.513827} H3 2949 -1 8 {} O 0.0 {0.368451 0.438661 0.531192} O5 2950 -1 1 {} H 0.0 {0.369637 0.442788 0.521612} H4 2951 -1 8 {} O 0.0 {0.381185 0.436232 0.553215} O6 2952 -1 1 {} H 0.0 {0.373978 0.429815 0.553756} H5 2953 -1 8 {} O 0.0 {0.386642 0.456378 0.537993} O7 2954 -1 1 {} H 0.0 {0.390064 0.458227 0.546717} H6 2955 -1 8 {} O 0.0 {0.486785 0.507495 0.497975} O1 2956 -1 14 {} Si 0.0 {0.500564 0.501152 0.503288} Si1 2957 -1 14 {} Si 0.0 {0.471656 0.509629 0.492573} Si2 2958 -1 8 {} O 0.0 {0.462255 0.511425 0.504048} O2 2959 -1 1 {} H 0.0 {0.455765 0.518367 0.506882} H1 2960 -1 8 {} O 0.0 {0.469235 0.497309 0.484467} O3 2961 -1 1 {} H 0.0 {0.515517 0.477509 0.512318} H2 2962 -1 8 {} O 0.0 {0.468287 0.521981 0.484164} O4 2963 -1 1 {} H 0.0 {0.47226 0.531216 0.487182} H3 2964 -1 8 {} O 0.0 {0.509973 0.512867 0.499621} O5 2965 -1 1 {} H 0.0 {0.505334 0.521731 0.50172} H4 2966 -1 8 {} O 0.0 {0.496533 0.499698 0.518603} O6 2967 -1 1 {} H 0.0 {0.488163 0.505172 0.520548} H5 2968 -1 8 {} O 0.0 {0.515218 0.484089 0.505137} O7 2969 -1 1 {} H 0.0 {0.512435 0.478496 0.49756} H6 2970 -1 8 {} O 0.0 {0.480029 0.41887 0.392235} O1 2971 -1 14 {} Si 0.0 {0.467018 0.417131 0.401829} Si1 2972 -1 14 {} Si 0.0 {0.486649 0.4223 0.37926} Si2 2973 -1 8 {} O 0.0 {0.487657 0.409227 0.371107} O2 2974 -1 1 {} H 0.0 {0.495726 0.404715 0.374418} H1 2975 -1 8 {} O 0.0 {0.500953 0.427546 0.382164} O3 2976 -1 1 {} H 0.0 {0.506976 0.42038 0.377712} H2 2977 -1 8 {} O 0.0 {0.479549 0.433313 0.370913} O4 2978 -1 1 {} H 0.0 {0.477601 0.441575 0.375392} H3 2979 -1 8 {} O 0.0 {0.458795 0.430163 0.4023} O5 2980 -1 1 {} H 0.0 {0.457583 0.433533 0.410764} H4 2981 -1 8 {} O 0.0 {0.457962 0.405702 0.396398} O6 2982 -1 1 {} H 0.0 {0.448021 0.406996 0.397206} H5 2983 -1 8 {} O 0.0 {0.468926 0.411061 0.415785} O7 2984 -1 1 {} H 0.0 {0.476092 0.404967 0.416912} H6 2985 -1 8 {} O 0.0 {0.52133 0.47269 0.37986} O1 2986 -1 14 {} Si 0.0 {0.518422 0.457325 0.377972} Si1 2987 -1 14 {} Si 0.0 {0.525527 0.48549 0.387515} Si2 2988 -1 8 {} O 0.0 {0.539123 0.484224 0.390414} O2 2989 -1 1 {} H 0.0 {0.580052 0.489601 0.38619} H1 2990 -1 8 {} O 0.0 {0.507756 0.487531 0.400874} O3 2991 -1 1 {} H 0.0 {0.510712 0.485098 0.409802} H2 2992 -1 8 {} O 0.0 {0.526182 0.497013 0.377419} O4 2993 -1 1 {} H 0.0 {0.527465 0.49343 0.367806} H3 2994 -1 8 {} O 0.0 {0.504219 0.457336 0.371149} O5 2995 -1 1 {} H 0.0 {0.499968 0.449172 0.373235} H4 2996 -1 8 {} O 0.0 {0.529607 0.451734 0.368756} O6 2997 -1 1 {} H 0.0 {0.536182 0.459056 0.367202} H5 2998 -1 8 {} O 0.0 {0.519369 0.45005 0.391617} O7 2999 -1 1 {} H 0.0 {0.512785 0.442131 0.391443} H6 3000 -1 8 {} O 0.0 {0.541175 0.666659 0.399366} O1 3001 -1 14 {} Si 0.0 {0.53593 0.68127 0.402005} Si1 3002 -1 14 {} Si 0.0 {0.54719 0.653282 0.396841} Si2 3003 -1 8 {} O 0.0 {0.562213 0.652819 0.392687} O2 3004 -1 1 {} H 0.0 {0.563984 0.645134 0.387002} H1 3005 -1 8 {} O 0.0 {0.538061 0.647062 0.385036} O3 3006 -1 1 {} H 0.0 {0.542961 0.639537 0.38158} H2 3007 -1 8 {} O 0.0 {0.543997 0.644073 0.408713} O4 3008 -1 1 {} H 0.0 {0.548935 0.647565 0.416836} H3 3009 -1 8 {} O 0.0 {0.542506 0.688063 0.414214} O5 3010 -1 1 {} H 0.0 {0.552471 0.690534 0.412961} H4 3011 -1 8 {} O 0.0 {0.538054 0.690194 0.390039} O6 3012 -1 1 {} H 0.0 {0.534798 0.686147 0.381319} H5 3013 -1 8 {} O 0.0 {0.520644 0.679344 0.405147} O7 3014 -1 1 {} H 0.0 {0.518822 0.669966 0.405296} H6 3015 -1 8 {} O 0.0 {0.693295 0.384154 0.452993} O1 3016 -1 14 {} Si 0.0 {0.678779 0.378473 0.455998} Si1 3017 -1 14 {} Si 0.0 {0.69271 0.401016 0.44986} Si2 3018 -1 8 {} O 0.0 {0.33959 0.435216 0.329616} O2 3019 -1 1 {} H 0.0 {0.340701 0.441835 0.33712} H1 3020 -1 8 {} O 0.0 {0.673142 0.392397 0.452385} O3 3021 -1 1 {} H 0.0 {0.317505 0.373826 0.410584} H2 3022 -1 8 {} O 0.0 {0.685786 0.404143 0.436292} O4 3023 -1 1 {} H 0.0 {0.676673 0.400346 0.435834} H3 3024 -1 8 {} O 0.0 {0.669876 0.364947 0.44108} O5 3025 -1 1 {} H 0.0 {0.660751 0.364063 0.444897} H4 3026 -1 8 {} O 0.0 {0.669841 0.624644 0.483152} O6 3027 -1 1 {} H 0.0 {0.666853 0.633711 0.482246} H5 3028 -1 8 {} O 0.0 {0.958078 0.912387 0.255631} O7 3029 -1 1 {} H 0.0 {0.668174 0.369707 0.431941} H6 3030 -1 8 {} O 0.0 {0.420765 0.572474 0.703389} O1 3031 -1 14 {} Si 0.0 {0.406372 0.566968 0.70636} Si1 3032 -1 14 {} Si 0.0 {0.428557 0.58527 0.698411} Si2 3033 -1 8 {} O 0.0 {0.437783 0.578205 0.687855} O2 3034 -1 1 {} H 0.0 {0.442201 0.570553 0.691808} H1 3035 -1 8 {} O 0.0 {0.460419 0.610063 0.330389} O3 3036 -1 1 {} H 0.0 {0.46556 0.618316 0.329964} H2 3037 -1 8 {} O 0.0 {0.43416 0.588999 0.71241} O4 3038 -1 1 {} H 0.0 {0.477455 0.595073 0.633865} H3 3039 -1 8 {} O 0.0 {0.405605 0.546478 0.701194} O5 3040 -1 1 {} H 0.0 {0.403742 0.541653 0.709785} H4 3041 -1 8 {} O 0.0 {0.454149 0.653254 0.325213} O6 3042 -1 1 {} H 0.0 {0.462168 0.652587 0.331793} H5 3043 -1 8 {} O 0.0 {0.402 0.569003 0.721326} O7 3044 -1 1 {} H 0.0 {0.40734 0.576054 0.725092} H6 3045 -1 8 {} O 0.0 {0.599783 0.636572 0.394665} O1 3046 -1 14 {} Si 0.0 {0.595962 0.624844 0.404105} Si1 3047 -1 14 {} Si 0.0 {0.606137 0.650512 0.390824} Si2 3048 -1 8 {} O 0.0 {0.595087 0.661011 0.394961} O2 3049 -1 1 {} H 0.0 {0.586247 0.658776 0.390827} H1 3050 -1 8 {} O 0.0 {0.608049 0.649626 0.375322} O3 3051 -1 1 {} H 0.0 {0.599657 0.646966 0.370748} H2 3052 -1 8 {} O 0.0 {0.618873 0.652878 0.400056} O4 3053 -1 1 {} H 0.0 {0.627525 0.651473 0.395099} H3 3054 -1 8 {} O 0.0 {0.583979 0.617553 0.398228} O5 3055 -1 1 {} H 0.0 {0.579521 0.611361 0.405435} H4 3056 -1 8 {} O 0.0 {0.607378 0.61355 0.407226} O6 3057 -1 1 {} H 0.0 {0.607747 0.613131 0.41686} H5 3058 -1 8 {} O 0.0 {0.592367 0.630584 0.418546} O7 3059 -1 1 {} H 0.0 {0.587732 0.623568 0.423281} H6 3060 -1 8 {} O 0.0 {0.424569 0.328882 0.525677} O1 3061 -1 14 {} Si 0.0 {0.409065 0.329631 0.528901} Si1 3062 -1 14 {} Si 0.0 {0.440186 0.328054 0.522647} Si2 3063 -1 8 {} O 0.0 {0.445042 0.384044 0.527555} O2 3064 -1 1 {} H 0.0 {0.395549 0.367996 0.522355} H1 3065 -1 8 {} O 0.0 {0.442114 0.318584 0.5102} O3 3066 -1 1 {} H 0.0 {0.356511 0.328615 0.526971} H2 3067 -1 8 {} O 0.0 {0.447703 0.341236 0.521849} O4 3068 -1 1 {} H 0.0 {0.434412 0.374489 0.554371} H3 3069 -1 8 {} O 0.0 {0.404592 0.316873 0.536284} O5 3070 -1 1 {} H 0.0 {0.412083 0.310734 0.537099} H4 3071 -1 8 {} O 0.0 {0.407758 0.342035 0.538419} O6 3072 -1 1 {} H 0.0 {0.40407 0.350779 0.534003} H5 3073 -1 8 {} O 0.0 {0.402024 0.33241 0.515652} O7 3074 -1 1 {} H 0.0 {0.396194 0.32348 0.513} H6 3075 -1 8 {} O 0.0 {0.415348 0.537483 0.67547} O1 3076 -1 14 {} Si 0.0 {0.431547 0.458099 0.325868} Si1 3077 -1 14 {} Si 0.0 {0.409972 0.531508 0.686872} Si2 3078 -1 8 {} O 0.0 {0.422812 0.52224 0.690065} O2 3079 -1 1 {} H 0.0 {0.327728 0.492565 0.589927} H1 3080 -1 8 {} O 0.0 {0.400647 0.521872 0.678349} O3 3081 -1 1 {} H 0.0 {0.405379 0.513462 0.675263} H2 3082 -1 8 {} O 0.0 {0.358965 0.522894 0.375325} O4 3083 -1 1 {} H 0.0 {0.355429 0.51462 0.371846} H3 3084 -1 8 {} O 0.0 {0.328389 0.488152 0.598291} O5 3085 -1 1 {} H 0.0 {0.387474 0.450262 0.336219} H4 3086 -1 8 {} O 0.0 {0.443131 0.457338 0.336152} O6 3087 -1 1 {} H 0.0 {0.442838 0.460873 0.345125} H5 3088 -1 8 {} O 0.0 {0.427309 0.446729 0.319241} O7 3089 -1 1 {} H 0.0 {0.388263 0.482429 0.361863} H6 3090 -1 8 {} O 0.0 {0.341047 0.365231 0.607764} O1 3091 -1 14 {} Si 0.0 {0.332016 0.358911 0.596906} Si1 3092 -1 14 {} Si 0.0 {0.655196 0.415621 0.636544} Si2 3093 -1 8 {} O 0.0 {0.643299 0.423026 0.629707} O2 3094 -1 1 {} H 0.0 {0.668217 0.434779 0.60582} H1 3095 -1 8 {} O 0.0 {0.668488 0.420683 0.630954} O3 3096 -1 1 {} H 0.0 {0.668702 0.421485 0.620697} H2 3097 -1 8 {} O 0.0 {0.655564 0.401864 0.636311} O4 3098 -1 1 {} H 0.0 {0.508636 0.291612 0.649314} H3 3099 -1 8 {} O 0.0 {0.338495 0.349985 0.586126} O5 3100 -1 1 {} H 0.0 {0.369915 0.372684 0.656071} H4 3101 -1 8 {} O 0.0 {0.32105 0.349636 0.603711} O6 3102 -1 1 {} H 0.0 {0.320558 0.396019 0.611938} H5 3103 -1 8 {} O 0.0 {0.324796 0.371316 0.590527} O7 3104 -1 1 {} H 0.0 {0.322548 0.3781 0.597568} H6 3105 -1 8 {} O 0.0 {0.593299 0.315348 0.59054} O1 3106 -1 14 {} Si 0.0 {0.583962 0.306811 0.581343} Si1 3107 -1 14 {} Si 0.0 {0.607538 0.319657 0.596406} Si2 3108 -1 8 {} O 0.0 {0.609873 0.334262 0.59136} O2 3109 -1 1 {} H 0.0 {0.608341 0.340468 0.584897} H1 3110 -1 8 {} O 0.0 {0.616935 0.311771 0.587289} O3 3111 -1 1 {} H 0.0 {0.619464 0.312716 0.57813} H2 3112 -1 8 {} O 0.0 {0.622953 0.465611 0.512965} O4 3113 -1 1 {} H 0.0 {0.61357 0.467957 0.511917} H3 3114 -1 8 {} O 0.0 {0.591888 0.294324 0.577597} O5 3115 -1 1 {} H 0.0 {0.601157 0.295939 0.577387} H4 3116 -1 8 {} O 0.0 {0.569198 0.302225 0.583243} O6 3117 -1 1 {} H 0.0 {0.562994 0.308503 0.57849} H5 3118 -1 8 {} O 0.0 {0.582096 0.315291 0.568185} O7 3119 -1 1 {} H 0.0 {0.579339 0.324292 0.569629} H6 3120 -1 8 {} O 0.0 {0.281948 0.523855 0.568195} O1 3121 -1 14 {} Si 0.0 {0.294972 0.530923 0.534378} Si1 3122 -1 14 {} Si 0.0 {0.290402 0.514434 0.559443} Si2 3123 -1 8 {} O 0.0 {0.66026 0.424577 0.551043} O2 3124 -1 1 {} H 0.0 {0.67291 0.622224 0.474373} H1 3125 -1 8 {} O 0.0 {0.646717 0.430242 0.531853} O3 3126 -1 1 {} H 0.0 {0.645902 0.459454 0.51428} H2 3127 -1 8 {} O 0.0 {0.284064 0.499946 0.559513} O4 3128 -1 1 {} H 0.0 {0.288679 0.493971 0.553925} H3 3129 -1 8 {} O 0.0 {0.290941 0.525283 0.520321} O5 3130 -1 1 {} H 0.0 {0.334861 0.506863 0.54391} H4 3131 -1 8 {} O 0.0 {0.285117 0.542755 0.537437} O6 3132 -1 1 {} H 0.0 {0.277342 0.539165 0.541866} H5 3133 -1 8 {} O 0.0 {0.309348 0.535593 0.537607} O7 3134 -1 1 {} H 0.0 {0.272015 0.537998 0.502766} H6 3135 -1 8 {} O 0.0 {0.49107 0.365664 0.578944} O1 3136 -1 14 {} Si 0.0 {0.495608 0.351393 0.581209} Si1 3137 -1 14 {} Si 0.0 {0.488463 0.378475 0.569393} Si2 3138 -1 8 {} O 0.0 {0.478708 0.388869 0.57553} O2 3139 -1 1 {} H 0.0 {0.473858 0.384322 0.582726} H1 3140 -1 8 {} O 0.0 {0.485162 0.374546 0.555037} O3 3141 -1 1 {} H 0.0 {0.476374 0.377397 0.551843} H2 3142 -1 8 {} O 0.0 {0.501702 0.386563 0.568016} O4 3143 -1 1 {} H 0.0 {0.505243 0.385138 0.559399} H3 3144 -1 8 {} O 0.0 {0.501666 0.349785 0.596016} O5 3145 -1 1 {} H 0.0 {0.499363 0.357755 0.601612} H4 3146 -1 8 {} O 0.0 {0.483495 0.342042 0.579793} O6 3147 -1 1 {} H 0.0 {0.475885 0.347036 0.576675} H5 3148 -1 8 {} O 0.0 {0.509082 0.347356 0.568137} O7 3149 -1 1 {} H 0.0 {0.514811 0.340567 0.572741} H6 3150 -1 8 {} O 0.0 {0.354423 0.407598 0.619034} O1 3151 -1 14 {} Si 0.0 {0.366296 0.40038 0.611045} Si1 3152 -1 14 {} Si 0.0 {0.341212 0.408555 0.626465} Si2 3153 -1 8 {} O 0.0 {0.334296 0.394251 0.626531} O2 3154 -1 1 {} H 0.0 {0.340208 0.388152 0.630681} H1 3155 -1 8 {} O 0.0 {0.331866 0.417958 0.618498} O3 3156 -1 1 {} H 0.0 {0.327881 0.424184 0.62474} H2 3157 -1 8 {} O 0.0 {0.342404 0.414567 0.641092} O4 3158 -1 1 {} H 0.0 {0.351544 0.414646 0.643804} H3 3159 -1 8 {} O 0.0 {0.377917 0.397787 0.620713} O5 3160 -1 1 {} H 0.0 {0.383322 0.390419 0.617934} H4 3161 -1 8 {} O 0.0 {0.362764 0.38691 0.604008} O6 3162 -1 1 {} H 0.0 {0.36978 0.380725 0.603953} H5 3163 -1 8 {} O 0.0 {0.370853 0.410915 0.600828} O7 3164 -1 1 {} H 0.0 {0.363713 0.416053 0.597341} H6 3165 -1 8 {} O 0.0 {0.449934 0.544107 0.312379} O1 3166 -1 14 {} Si 0.0 {0.388277 0.577061 0.329714} Si1 3167 -1 14 {} Si 0.0 {0.23667 0.583462 0.591003} Si2 3168 -1 8 {} O 0.0 {0.250437 0.585954 0.589565} O2 3169 -1 1 {} H 0.0 {0.339439 0.568838 0.619668} H1 3170 -1 8 {} O 0.0 {0.606856 0.474995 0.66221} O3 3171 -1 1 {} H 0.0 {0.610902 0.472158 0.6542} H2 3172 -1 8 {} O 0.0 {0.223466 0.578723 0.591898} O4 3173 -1 1 {} H 0.0 {0.346656 0.486462 0.409345} H3 3174 -1 8 {} O 0.0 {0.388379 0.577611 0.315839} O5 3175 -1 1 {} H 0.0 {0.284926 0.581746 0.61824} H4 3176 -1 8 {} O 0.0 {0.374639 0.586081 0.332562} O6 3177 -1 1 {} H 0.0 {0.410031 0.605556 0.597233} H5 3178 -1 8 {} O 0.0 {0.401451 0.584723 0.332617} O7 3179 -1 1 {} H 0.0 {0.590501 0.665136 0.549885} H6 3180 -1 8 {} O 0.0 {0.352791 0.504262 0.449282} O1 3181 -1 14 {} Si 0.0 {0.346107 0.502674 0.435304} Si1 3182 -1 14 {} Si 0.0 {0.359409 0.513334 0.460285} Si2 3183 -1 8 {} O 0.0 {0.360114 0.505276 0.473348} O2 3184 -1 1 {} H 0.0 {0.362275 0.496089 0.471081} H1 3185 -1 8 {} O 0.0 {0.350571 0.526288 0.462708} O3 3186 -1 1 {} H 0.0 {0.356511 0.533245 0.465185} H2 3187 -1 8 {} O 0.0 {0.374378 0.515793 0.457491} O4 3188 -1 1 {} H 0.0 {0.377556 0.50996 0.450748} H3 3189 -1 8 {} O 0.0 {0.346381 0.516062 0.427703} O5 3190 -1 1 {} H 0.0 {0.339737 0.521733 0.431562} H4 3191 -1 8 {} O 0.0 {0.353975 0.490712 0.428617} O6 3192 -1 1 {} H 0.0 {0.360553 0.487819 0.435757} H5 3193 -1 8 {} O 0.0 {0.330444 0.50011 0.436164} O7 3194 -1 1 {} H 0.0 {0.328856 0.49035 0.434097} H6 3195 -1 8 {} O 0.0 {0.622774 0.576392 0.441213} O1 3196 -1 14 {} Si 0.0 {0.629728 0.568876 0.453121} Si1 3197 -1 14 {} Si 0.0 {0.622717 0.583342 0.427517} Si2 3198 -1 8 {} O 0.0 {0.61464 0.573521 0.418459} O2 3199 -1 1 {} H 0.0 {0.620579 0.565796 0.417464} H1 3200 -1 8 {} O 0.0 {0.636475 0.585842 0.420402} O3 3201 -1 1 {} H 0.0 {0.635373 0.592181 0.413034} H2 3202 -1 8 {} O 0.0 {0.614369 0.596705 0.429342} O4 3203 -1 1 {} H 0.0 {0.605216 0.593657 0.428971} H3 3204 -1 8 {} O 0.0 {0.637267 0.555533 0.451309} O5 3205 -1 1 {} H 0.0 {0.641139 0.551724 0.460016} H4 3206 -1 8 {} O 0.0 {0.637551 0.579519 0.461671} O6 3207 -1 1 {} H 0.0 {0.632462 0.58788 0.462597} H5 3208 -1 8 {} O 0.0 {0.618486 0.564662 0.462914} O7 3209 -1 1 {} H 0.0 {0.609028 0.566471 0.45938} H6 3210 -1 8 {} O 0.0 {0.51564 0.590837 0.46657} O1 3211 -1 14 {} Si 0.0 {0.505144 0.602658 0.469522} Si1 3212 -1 14 {} Si 0.0 {0.527509 0.583785 0.459252} Si2 3213 -1 8 {} O 0.0 {0.530155 0.587605 0.444745} O2 3214 -1 1 {} H 0.0 {0.539812 0.588344 0.442974} H1 3215 -1 8 {} O 0.0 {0.525865 0.568459 0.4601} O3 3216 -1 1 {} H 0.0 {0.532269 0.564329 0.465529} H2 3217 -1 8 {} O 0.0 {0.539858 0.588648 0.468244} O4 3218 -1 1 {} H 0.0 {0.537241 0.590111 0.477644} H3 3219 -1 8 {} O 0.0 {0.503529 0.604787 0.485167} O5 3220 -1 1 {} H 0.0 {0.506132 0.614372 0.488218} H4 3221 -1 8 {} O 0.0 {0.509787 0.617746 0.463956} O6 3222 -1 1 {} H 0.0 {0.516492 0.617158 0.45731} H5 3223 -1 8 {} O 0.0 {0.491707 0.600721 0.46194} O7 3224 -1 1 {} H 0.0 {0.488218 0.592294 0.464413} H6 3225 -1 8 {} O 0.0 {0.591636 0.419733 0.599792} O1 3226 -1 14 {} Si 0.0 {0.624153 0.419247 0.357473} Si1 3227 -1 14 {} Si 0.0 {0.634441 0.430834 0.333735} Si2 3228 -1 8 {} O 0.0 {0.636886 0.446296 0.334921} O2 3229 -1 1 {} H 0.0 {0.618478 0.372793 0.685606} H1 3230 -1 8 {} O 0.0 {0.623382 0.429064 0.344751} O3 3231 -1 1 {} H 0.0 {0.632294 0.446376 0.366703} H2 3232 -1 8 {} O 0.0 {0.627342 0.423156 0.32234} O4 3233 -1 1 {} H 0.0 {0.625541 0.429538 0.314577} H3 3234 -1 8 {} O 0.0 {0.601989 0.352807 0.681835} O5 3235 -1 1 {} H 0.0 {0.623287 0.378295 0.359875} H4 3236 -1 8 {} O 0.0 {0.64268 0.417792 0.347402} O6 3237 -1 1 {} H 0.0 {0.642478 0.409082 0.342339} H5 3238 -1 8 {} O 0.0 {0.621367 0.430284 0.36828} O7 3239 -1 1 {} H 0.0 {0.613532 0.435371 0.36728} H6 3240 -1 8 {} O 0.0 {0.461725 0.464663 0.541961} O1 3241 -1 14 {} Si 0.0 {0.452388 0.46011 0.554165} Si1 3242 -1 14 {} Si 0.0 {0.46782 0.471252 0.529197} Si2 3243 -1 8 {} O 0.0 {0.465327 0.461179 0.516899} O2 3244 -1 1 {} H 0.0 {0.463379 0.45842 0.508125} H1 3245 -1 8 {} O 0.0 {0.4828 0.47352 0.530785} O3 3246 -1 1 {} H 0.0 {0.486109 0.481957 0.525938} H2 3247 -1 8 {} O 0.0 {0.462324 0.485393 0.52724} O4 3248 -1 1 {} H 0.0 {0.455344 0.485621 0.520892} H3 3249 -1 8 {} O 0.0 {0.439491 0.468769 0.551112} O5 3250 -1 1 {} H 0.0 {0.435035 0.467927 0.542397} H4 3251 -1 8 {} O 0.0 {0.449673 0.445275 0.549645} O6 3252 -1 1 {} H 0.0 {0.457098 0.441953 0.544073} H5 3253 -1 8 {} O 0.0 {0.459469 0.46005 0.568385} O7 3254 -1 1 {} H 0.0 {0.457516 0.468646 0.57324} H6 3255 -1 8 {} O 0.0 {0.495351 0.560895 0.50896} O1 3256 -1 14 {} Si 0.0 {0.500986 0.575723 0.509934} Si1 3257 -1 14 {} Si 0.0 {0.488246 0.547726 0.507059} Si2 3258 -1 8 {} O 0.0 {0.498484 0.535471 0.510207} O2 3259 -1 1 {} H 0.0 {0.506427 0.538886 0.515325} H1 3260 -1 8 {} O 0.0 {0.480916 0.546979 0.492709} O3 3261 -1 1 {} H 0.0 {0.475379 0.555068 0.489445} H2 3262 -1 8 {} O 0.0 {0.47746 0.547657 0.520184} O4 3263 -1 1 {} H 0.0 {0.476146 0.556952 0.523085} H3 3264 -1 8 {} O 0.0 {0.491493 0.585429 0.502409} O5 3265 -1 1 {} H 0.0 {0.496136 0.592485 0.497464} H4 3266 -1 8 {} O 0.0 {0.500318 0.580413 0.524976} O6 3267 -1 1 {} H 0.0 {0.49043 0.579643 0.527557} H5 3268 -1 8 {} O 0.0 {0.515601 0.578795 0.504387} O7 3269 -1 1 {} H 0.0 {0.52061 0.570595 0.502754} H6 3270 -1 8 {} O 0.0 {0.37476 0.471577 0.327381} O1 3271 -1 14 {} Si 0.0 {0.380908 0.470397 0.341938} Si1 3272 -1 14 {} Si 0.0 {0.354777 0.467286 0.327713} Si2 3273 -1 8 {} O 0.0 {0.354427 0.459295 0.314121} O2 3274 -1 1 {} H 0.0 {0.361724 0.462259 0.309057} H1 3275 -1 8 {} O 0.0 {0.156891 0.352117 0.338091} O3 3276 -1 1 {} H 0.0 {0.150934 0.359468 0.337156} H2 3277 -1 8 {} O 0.0 {0.34448 0.47843 0.32413} O4 3278 -1 1 {} H 0.0 {0.644639 0.589554 0.313128} H3 3279 -1 8 {} O 0.0 {0.328573 0.444382 0.638217} O5 3280 -1 1 {} H 0.0 {0.334876 0.450681 0.641489} H4 3281 -1 8 {} O 0.0 {0.391359 0.458705 0.340718} O6 3282 -1 1 {} H 0.0 {0.401225 0.446018 0.352232} H5 3283 -1 8 {} O 0.0 {0.388058 0.485424 0.352717} O7 3284 -1 1 {} H 0.0 {0.332277 0.435723 0.640943} H6 3285 -1 8 {} O 0.0 {0.617096 0.378813 0.525035} O1 3286 -1 14 {} Si 0.0 {0.624814 0.379748 0.538906} Si1 3287 -1 14 {} Si 0.0 {0.605726 0.371982 0.516657} Si2 3288 -1 8 {} O 0.0 {0.593181 0.36661 0.524053} O2 3289 -1 1 {} H 0.0 {0.586267 0.363927 0.516965} H1 3290 -1 8 {} O 0.0 {0.612146 0.357972 0.512527} O3 3291 -1 1 {} H 0.0 {0.626061 0.324508 0.564059} H2 3292 -1 8 {} O 0.0 {0.605579 0.381331 0.503725} O4 3293 -1 1 {} H 0.0 {0.613185 0.378945 0.498449} H3 3294 -1 8 {} O 0.0 {0.616931 0.370705 0.549683} O5 3295 -1 1 {} H 0.0 {0.617896 0.375458 0.557703} H4 3296 -1 8 {} O 0.0 {0.63987 0.375201 0.5346} O6 3297 -1 1 {} H 0.0 {0.640173 0.374846 0.524712} H5 3298 -1 8 {} O 0.0 {0.62482 0.394573 0.542785} O7 3299 -1 1 {} H 0.0 {0.621856 0.39989 0.535602} H6 3300 -1 8 {} O 0.0 {0.372207 0.653691 0.467804} O1 3301 -1 14 {} Si 0.0 {0.374509 0.639013 0.462438} Si1 3302 -1 14 {} Si 0.0 {0.363198 0.666362 0.470207} Si2 3303 -1 8 {} O 0.0 {0.348803 0.66817 0.463621} O2 3304 -1 1 {} H 0.0 {0.348631 0.677358 0.460761} H1 3305 -1 8 {} O 0.0 {0.37089 0.679482 0.466211} O3 3306 -1 1 {} H 0.0 {0.380367 0.678942 0.468236} H2 3307 -1 8 {} O 0.0 {0.360273 0.670042 0.484879} O4 3308 -1 1 {} H 0.0 {0.365097 0.663511 0.490711} H3 3309 -1 8 {} O 0.0 {0.37429 0.640711 0.446841} O5 3310 -1 1 {} H 0.0 {0.377081 0.649764 0.443587} H4 3311 -1 8 {} O 0.0 {0.389873 0.636639 0.465796} O6 3312 -1 1 {} H 0.0 {0.394787 0.644366 0.466784} H5 3313 -1 8 {} O 0.0 {0.366254 0.628798 0.469953} O7 3314 -1 1 {} H 0.0 {0.357173 0.628365 0.466233} H6 3315 -1 8 {} O 0.0 {0.278713 0.445438 0.524188} O1 3316 -1 14 {} Si 0.0 {0.268115 0.449242 0.513494} Si1 3317 -1 14 {} Si 0.0 {0.289433 0.442775 0.536356} Si2 3318 -1 8 {} O 0.0 {0.676712 0.425092 0.50752} O2 3319 -1 1 {} H 0.0 {0.671945 0.416873 0.509069} H1 3320 -1 8 {} O 0.0 {0.295293 0.428576 0.533374} O3 3321 -1 1 {} H 0.0 {0.301696 0.426965 0.526725} H2 3322 -1 8 {} O 0.0 {0.281499 0.443883 0.5503} O4 3323 -1 1 {} H 0.0 {0.283787 0.436929 0.556051} H3 3324 -1 8 {} O 0.0 {0.272929 0.462475 0.506789} O5 3325 -1 1 {} H 0.0 {0.280171 0.463668 0.500027} H4 3326 -1 8 {} O 0.0 {0.268078 0.440058 0.503241} O6 3327 -1 1 {} H 0.0 {0.656033 0.40324 0.556924} H5 3328 -1 8 {} O 0.0 {0.656432 0.39466 0.561113} O7 3329 -1 1 {} H 0.0 {0.647867 0.394897 0.565011} H6 3330 -1 8 {} O 0.0 {0.61488 0.601395 0.679461} O1 3331 -1 14 {} Si 0.0 {0.661397 0.636837 0.433307} Si1 3332 -1 14 {} Si 0.0 {0.629733 0.600998 0.674628} Si2 3333 -1 8 {} O 0.0 {0.632548 0.587366 0.667274} O2 3334 -1 1 {} H 0.0 {0.438342 0.922369 0.676843} H1 3335 -1 8 {} O 0.0 {0.640224 0.600808 0.685877} O3 3336 -1 1 {} H 0.0 {0.647821 0.606103 0.682089} H2 3337 -1 8 {} O 0.0 {0.632121 0.613528 0.665655} O4 3338 -1 1 {} H 0.0 {0.623704 0.617433 0.663022} H3 3339 -1 8 {} O 0.0 {0.430159 0.918179 0.678544} O5 3340 -1 1 {} H 0.0 {0.506063 0.311005 0.37237} H4 3341 -1 8 {} O 0.0 {0.508414 0.30674 0.364185} O6 3342 -1 1 {} H 0.0 {0.61271 0.327144 0.362561} H5 3343 -1 8 {} O 0.0 {0.659265 0.649352 0.424498} O7 3344 -1 1 {} H 0.0 {0.651812 0.654804 0.428845} H6 3345 -1 8 {} O 0.0 {0.549952 0.377871 0.702634} O1 3346 -1 14 {} Si 0.0 {0.548732 0.362696 0.702961} Si1 3347 -1 14 {} Si 0.0 {0.552278 0.392838 0.705953} Si2 3348 -1 8 {} O 0.0 {0.53492 0.404303 0.707142} O2 3349 -1 1 {} H 0.0 {0.536696 0.414099 0.707845} H1 3350 -1 8 {} O 0.0 {0.563019 0.398212 0.696908} O3 3351 -1 1 {} H 0.0 {0.561177 0.394972 0.687456} H2 3352 -1 8 {} O 0.0 {0.559274 0.393316 0.72054} O4 3353 -1 1 {} H 0.0 {0.568507 0.39468 0.719808} H3 3354 -1 8 {} O 0.0 {0.534656 0.360008 0.696837} O5 3355 -1 1 {} H 0.0 {0.53577 0.354008 0.68943} H4 3356 -1 8 {} O 0.0 {0.561505 0.355951 0.698189} O6 3357 -1 1 {} H 0.0 {0.569714 0.36039 0.701815} H5 3358 -1 8 {} O 0.0 {0.549539 0.356738 0.717407} O7 3359 -1 1 {} H 0.0 {0.544235 0.348266 0.717718} H6 3360 -1 8 {} O 0.0 {0.578047 0.439389 0.474058} O1 3361 -1 14 {} Si 0.0 {0.593168 0.437331 0.472005} Si1 3362 -1 14 {} Si 0.0 {0.563655 0.436453 0.480296} Si2 3363 -1 8 {} O 0.0 {0.565058 0.434487 0.495647} O2 3364 -1 1 {} H 0.0 {0.564341 0.443198 0.500158} H1 3365 -1 8 {} O 0.0 {0.555487 0.425096 0.472193} O3 3366 -1 1 {} H 0.0 {0.553456 0.427285 0.462913} H2 3367 -1 8 {} O 0.0 {0.554627 0.44862 0.477026} O4 3368 -1 1 {} H 0.0 {0.560099 0.455942 0.474457} H3 3369 -1 8 {} O 0.0 {0.594602 0.427357 0.459958} O5 3370 -1 1 {} H 0.0 {0.598042 0.432024 0.451849} H4 3371 -1 8 {} O 0.0 {0.598018 0.450389 0.465516} O6 3372 -1 1 {} H 0.0 {0.591104 0.453101 0.459213} H5 3373 -1 8 {} O 0.0 {0.602127 0.431249 0.483295} O7 3374 -1 1 {} H 0.0 {0.611732 0.433891 0.482539} H6 3375 -1 8 {} O 0.0 {0.572704 0.612509 0.468164} O1 3376 -1 14 {} Si 0.0 {0.57754 0.598545 0.471308} Si1 3377 -1 14 {} Si 0.0 {0.5664 0.626084 0.463202} Si2 3378 -1 8 {} O 0.0 {0.577285 0.637439 0.464382} O2 3379 -1 1 {} H 0.0 {0.578367 0.641886 0.455106} H1 3380 -1 8 {} O 0.0 {0.555249 0.632179 0.472291} O3 3381 -1 1 {} H 0.0 {0.558858 0.639973 0.477127} H2 3382 -1 8 {} O 0.0 {0.562082 0.62817 0.448321} O4 3383 -1 1 {} H 0.0 {0.55602 0.635944 0.447367} H3 3384 -1 8 {} O 0.0 {0.57327 0.594461 0.486033} O5 3385 -1 1 {} H 0.0 {0.567304 0.600934 0.489714} H4 3386 -1 8 {} O 0.0 {0.568242 0.58685 0.465096} O6 3387 -1 1 {} H 0.0 {0.559666 0.587864 0.469415} H5 3388 -1 8 {} O 0.0 {0.592671 0.596623 0.470682} O7 3389 -1 1 {} H 0.0 {0.598449 0.604776 0.470628} H6 3390 -1 8 {} O 0.0 {0.425278 0.683752 0.6196} O1 3391 -1 14 {} Si 0.0 {0.374669 0.360288 0.46129} Si1 3392 -1 14 {} Si 0.0 {0.421093 0.677114 0.631025} Si2 3393 -1 8 {} O 0.0 {0.387014 0.311214 0.509147} O2 3394 -1 1 {} H 0.0 {0.371596 0.327499 0.481121} H1 3395 -1 8 {} O 0.0 {0.428805 0.663177 0.628136} O3 3396 -1 1 {} H 0.0 {0.438381 0.663605 0.632508} H2 3397 -1 8 {} O 0.0 {0.429267 0.685097 0.641435} O4 3398 -1 1 {} H 0.0 {0.439083 0.681952 0.641877} H3 3399 -1 8 {} O 0.0 {0.365137 0.348282 0.45771} O5 3400 -1 1 {} H 0.0 {0.379021 0.312194 0.513586} H4 3401 -1 8 {} O 0.0 {0.367572 0.364698 0.472358} O6 3402 -1 1 {} H 0.0 {0.390738 0.303046 0.513566} H5 3403 -1 8 {} O 0.0 {0.372746 0.372032 0.451014} O7 3404 -1 1 {} H 0.0 {0.413049 0.287164 0.569575} H6 3405 -1 8 {} O 0.0 {0.447327 0.569293 0.539227} O1 3406 -1 14 {} Si 0.0 {0.459481 0.578186 0.543343} Si1 3407 -1 14 {} Si 0.0 {0.433429 0.563243 0.537492} Si2 3408 -1 8 {} O 0.0 {0.422597 0.57478 0.535799} O2 3409 -1 1 {} H 0.0 {0.413634 0.570524 0.535939} H1 3410 -1 8 {} O 0.0 {0.430022 0.555406 0.550455} O3 3411 -1 1 {} H 0.0 {0.43796 0.554644 0.556237} H2 3412 -1 8 {} O 0.0 {0.43508 0.552086 0.526907} O4 3413 -1 1 {} H 0.0 {0.443682 0.54675 0.527964} H3 3414 -1 8 {} O 0.0 {0.456053 0.593593 0.54392} O5 3415 -1 1 {} H 0.0 {0.461263 0.597976 0.536976} H4 3416 -1 8 {} O 0.0 {0.463671 0.573338 0.557352} O6 3417 -1 1 {} H 0.0 {0.459132 0.564549 0.559824} H5 3418 -1 8 {} O 0.0 {0.471694 0.574649 0.534384} O7 3419 -1 1 {} H 0.0 {0.477573 0.568849 0.539458} H6 3420 -1 8 {} O 0.0 {0.492253 0.652403 0.376561} O1 3421 -1 14 {} Si 0.0 {0.494138 0.660816 0.363268} Si1 3422 -1 14 {} Si 0.0 {0.495882 0.649019 0.39199} Si2 3423 -1 8 {} O 0.0 {0.509111 0.65611 0.395852} O2 3424 -1 1 {} H 0.0 {0.517262 0.651775 0.392461} H1 3425 -1 8 {} O 0.0 {0.495656 0.632044 0.393856} O3 3426 -1 1 {} H 0.0 {0.490828 0.629655 0.401921} H2 3427 -1 8 {} O 0.0 {0.483645 0.655246 0.398392} O4 3428 -1 1 {} H 0.0 {0.480351 0.665939 0.393583} H3 3429 -1 8 {} O 0.0 {0.480117 0.661488 0.357619} O5 3430 -1 1 {} H 0.0 {0.479403 0.656179 0.347526} H4 3431 -1 8 {} O 0.0 {0.500134 0.6751 0.364569} O6 3432 -1 1 {} H 0.0 {0.519791 0.682109 0.364005} H5 3433 -1 8 {} O 0.0 {0.502169 0.65104 0.354071} O7 3434 -1 1 {} H 0.0 {0.521884 0.644259 0.350224} H6 3435 -1 8 {} O 0.0 {0.47626 0.370988 0.507308} O1 3436 -1 14 {} Si 0.0 {0.465167 0.362874 0.49933} Si1 3437 -1 14 {} Si 0.0 {0.48543 0.382458 0.513379} Si2 3438 -1 8 {} O 0.0 {0.501888 0.38958 0.503279} O2 3439 -1 1 {} H 0.0 {0.505287 0.395099 0.510589} H1 3440 -1 8 {} O 0.0 {0.570834 0.363674 0.511155} O3 3441 -1 1 {} H 0.0 {0.567044 0.358299 0.517522} H2 3442 -1 8 {} O 0.0 {0.483954 0.387895 0.528606} O4 3443 -1 1 {} H 0.0 {0.487728 0.38194 0.535256} H3 3444 -1 8 {} O 0.0 {0.451877 0.370009 0.504712} O5 3445 -1 1 {} H 0.0 {0.471329 0.335755 0.496275} H4 3446 -1 8 {} O 0.0 {0.466276 0.363814 0.483397} O6 3447 -1 1 {} H 0.0 {0.474551 0.359841 0.480005} H5 3448 -1 8 {} O 0.0 {0.465962 0.347984 0.503526} O7 3449 -1 1 {} H 0.0 {0.454756 0.342583 0.514586} H6 3450 -1 8 {} O 0.0 {0.56125 0.406529 0.2974} O1 3451 -1 14 {} Si 0.0 {0.62482 0.326931 0.660533} Si1 3452 -1 14 {} Si 0.0 {0.568385 0.40149 0.310359} Si2 3453 -1 8 {} O 0.0 {0.576187 0.413462 0.315649} O2 3454 -1 1 {} H 0.0 {0.611538 0.41457 0.328617} H1 3455 -1 8 {} O 0.0 {0.573677 0.387149 0.305821} O3 3456 -1 1 {} H 0.0 {0.567493 0.380155 0.306526} H2 3457 -1 8 {} O 0.0 {0.555889 0.397686 0.319297} O4 3458 -1 1 {} H 0.0 {0.539517 0.3133 0.663927} H3 3459 -1 8 {} O 0.0 {0.621982 0.335828 0.672321} O5 3460 -1 1 {} H 0.0 {0.614302 0.340296 0.676343} H4 3461 -1 8 {} O 0.0 {0.612511 0.322186 0.656183} O6 3462 -1 1 {} H 0.0 {0.59436 0.346516 0.680366} H5 3463 -1 8 {} O 0.0 {0.631376 0.334738 0.648932} O7 3464 -1 1 {} H 0.0 {0.631641 0.345015 0.649479} H6 3465 -1 8 {} O 0.0 {0.518662 0.477549 0.534956} O1 3466 -1 14 {} Si 0.0 {0.523809 0.490995 0.542152} Si1 3467 -1 14 {} Si 0.0 {0.51916 0.4615 0.533299} Si2 3468 -1 8 {} O 0.0 {0.51057 0.458709 0.521005} O2 3469 -1 1 {} H 0.0 {0.500981 0.458038 0.523398} H1 3470 -1 8 {} O 0.0 {0.512681 0.458322 0.547026} O3 3471 -1 1 {} H 0.0 {0.519933 0.457335 0.554251} H2 3472 -1 8 {} O 0.0 {0.534091 0.455268 0.533831} O4 3473 -1 1 {} H 0.0 {0.533683 0.446154 0.537006} H3 3474 -1 8 {} O 0.0 {0.536006 0.497234 0.535417} O5 3475 -1 1 {} H 0.0 {0.54123 0.491993 0.529091} H4 3476 -1 8 {} O 0.0 {0.511981 0.501662 0.542038} O6 3477 -1 1 {} H 0.0 {0.506406 0.501059 0.53422} H5 3478 -1 8 {} O 0.0 {0.527155 0.487623 0.55695} O7 3479 -1 1 {} H 0.0 {0.520328 0.490812 0.575182} H6 3480 -1 8 {} O 0.0 {0.491674 0.422548 0.585608} O1 3481 -1 14 {} Si 0.0 {0.491317 0.424713 0.570543} Si1 3482 -1 14 {} Si 0.0 {0.497704 0.425447 0.6} Si2 3483 -1 8 {} O 0.0 {0.512924 0.423837 0.59783} O2 3484 -1 1 {} H 0.0 {0.51414 0.413948 0.595704} H1 3485 -1 8 {} O 0.0 {0.491298 0.416319 0.610718} O3 3486 -1 1 {} H 0.0 {0.48226 0.419703 0.61218} H2 3487 -1 8 {} O 0.0 {0.494368 0.440637 0.6027} O4 3488 -1 1 {} H 0.0 {0.484677 0.441347 0.602546} H3 3489 -1 8 {} O 0.0 {0.503176 0.417524 0.564191} O5 3490 -1 1 {} H 0.0 {0.501152 0.40857 0.562525} H4 3491 -1 8 {} O 0.0 {0.477885 0.417109 0.565759} O6 3492 -1 1 {} H 0.0 {0.477714 0.408599 0.571094} H5 3493 -1 8 {} O 0.0 {0.48928 0.440007 0.566531} O7 3494 -1 1 {} H 0.0 {0.480909 0.443179 0.570314} H6 3495 -1 8 {} O 0.0 {0.354047 0.380379 0.388247} O1 3496 -1 14 {} Si 0.0 {0.345937 0.39014 0.378964} Si1 3497 -1 14 {} Si 0.0 {0.359113 0.371359 0.399578} Si2 3498 -1 8 {} O 0.0 {0.330916 0.384621 0.418474} O2 3499 -1 1 {} H 0.0 {0.332266 0.388235 0.394913} H1 3500 -1 8 {} O 0.0 {0.347608 0.360317 0.401048} O3 3501 -1 1 {} H 0.0 {0.348839 0.355084 0.409184} H2 3502 -1 8 {} O 0.0 {0.358089 0.379533 0.413083} O4 3503 -1 1 {} H 0.0 {0.367269 0.382732 0.415211} H3 3504 -1 8 {} O 0.0 {0.331295 0.388714 0.385047} O5 3505 -1 1 {} H 0.0 {0.339814 0.380869 0.418166} H4 3506 -1 8 {} O 0.0 {0.352076 0.404334 0.381737} O6 3507 -1 1 {} H 0.0 {0.345772 0.411342 0.381966} H5 3508 -1 8 {} O 0.0 {0.346189 0.386999 0.363141} O7 3509 -1 1 {} H 0.0 {0.354656 0.386487 0.360115} H6 3510 -1 8 {} O 0.0 {0.470107 0.632172 0.533702} O1 3511 -1 14 {} Si 0.0 {0.476387 0.622845 0.522414} Si1 3512 -1 14 {} Si 0.0 {0.466828 0.646069 0.540293} Si2 3513 -1 8 {} O 0.0 {0.472982 0.658203 0.532985} O2 3514 -1 1 {} H 0.0 {0.466681 0.664698 0.529977} H1 3515 -1 8 {} O 0.0 {0.471939 0.645974 0.55522} O3 3516 -1 1 {} H 0.0 {0.525997 0.639008 0.50625} H2 3517 -1 8 {} O 0.0 {0.451555 0.648474 0.540007} O4 3518 -1 1 {} H 0.0 {0.444066 0.641829 0.540691} H3 3519 -1 8 {} O 0.0 {0.477 0.629985 0.508486} O5 3520 -1 1 {} H 0.0 {0.467551 0.630971 0.505511} H4 3521 -1 8 {} O 0.0 {0.491735 0.621659 0.526345} O6 3522 -1 1 {} H 0.0 {0.492033 0.618208 0.535337} H5 3523 -1 8 {} O 0.0 {0.470504 0.608315 0.522361} O7 3524 -1 1 {} H 0.0 {0.473727 0.602616 0.5158} H6 3525 -1 8 {} O 0.0 {0.5568 0.654207 0.516221} O1 3526 -1 14 {} Si 0.0 {0.565843 0.652099 0.505923} Si1 3527 -1 14 {} Si 0.0 {0.512963 0.309316 0.501988} Si2 3528 -1 8 {} O 0.0 {0.514772 0.304217 0.51471} O2 3529 -1 1 {} H 0.0 {0.522511 0.65275 0.546766} H1 3530 -1 8 {} O 0.0 {0.522939 0.300685 0.49339} O3 3531 -1 1 {} H 0.0 {0.532694 0.303906 0.495085} H2 3532 -1 8 {} O 0.0 {0.517466 0.324203 0.502779} O4 3533 -1 1 {} H 0.0 {0.340026 0.624932 0.532397} H3 3534 -1 8 {} O 0.0 {0.343213 0.631453 0.526172} O5 3535 -1 1 {} H 0.0 {0.351916 0.633896 0.528979} H4 3536 -1 8 {} O 0.0 {0.56924 0.637215 0.508179} O6 3537 -1 1 {} H 0.0 {0.561939 0.63088 0.506415} H5 3538 -1 8 {} O 0.0 {0.557673 0.652365 0.492402} O7 3539 -1 1 {} H 0.0 {0.550921 0.659933 0.491404} H6 3540 -1 8 {} O 0.0 {0.518779 0.383504 0.350513} O1 3541 -1 14 {} Si 0.0 {0.545983 0.365308 0.333339} Si1 3542 -1 14 {} Si 0.0 {0.534111 0.384163 0.353742} Si2 3543 -1 8 {} O 0.0 {0.542418 0.376808 0.343018} O2 3544 -1 1 {} H 0.0 {0.530851 0.335791 0.351521} H1 3545 -1 8 {} O 0.0 {0.633396 0.656598 0.435817} O3 3546 -1 1 {} H 0.0 {0.549316 0.648212 0.322847} H2 3547 -1 8 {} O 0.0 {0.5477 0.370722 0.318684} O4 3548 -1 1 {} H 0.0 {0.547118 0.379964 0.319045} H3 3549 -1 8 {} O 0.0 {0.534236 0.354698 0.332846} O5 3550 -1 1 {} H 0.0 {0.526498 0.360121 0.334453} H4 3551 -1 8 {} O 0.0 {0.528766 0.679432 0.366482} O6 3552 -1 1 {} H 0.0 {0.624842 0.656649 0.431473} H5 3553 -1 8 {} O 0.0 {0.558076 0.358941 0.340618} O7 3554 -1 1 {} H 0.0 {0.555475 0.351315 0.345522} H6 3555 -1 8 {} O 0.0 {0.35258 0.386261 0.691481} O1 3556 -1 14 {} Si 0.0 {0.343237 0.374345 0.691724} Si1 3557 -1 14 {} Si 0.0 {0.360587 0.400227 0.688817} Si2 3558 -1 8 {} O 0.0 {0.350083 0.410298 0.682231} O2 3559 -1 1 {} H 0.0 {0.341548 0.405895 0.679832} H1 3560 -1 8 {} O 0.0 {0.372617 0.400895 0.67895} O3 3561 -1 1 {} H 0.0 {0.379161 0.407 0.6823} H2 3562 -1 8 {} O 0.0 {0.366112 0.407435 0.700995} O4 3563 -1 1 {} H 0.0 {0.393287 0.347969 0.337111} H3 3564 -1 8 {} O 0.0 {0.33071 0.379336 0.68883} O5 3565 -1 1 {} H 0.0 {0.338415 0.351973 0.570644} H4 3566 -1 8 {} O 0.0 {0.348029 0.363224 0.681854} O6 3567 -1 1 {} H 0.0 {0.353009 0.365771 0.674077} H5 3568 -1 8 {} O 0.0 {0.118569 0.837219 0.161044} O7 3569 -1 1 {} H 0.0 {0.109614 0.835419 0.160169} H6 3570 -1 8 {} O 0.0 {0.367132 0.664851 0.556907} O1 3571 -1 14 {} Si 0.0 {0.382448 0.66187 0.556256} Si1 3572 -1 14 {} Si 0.0 {0.353162 0.668246 0.551331} Si2 3573 -1 8 {} O 0.0 {0.354402 0.665263 0.536245} O2 3574 -1 1 {} H 0.0 {0.361452 0.657414 0.535423} H1 3575 -1 8 {} O 0.0 {0.348907 0.68331 0.551946} O3 3576 -1 1 {} H 0.0 {0.352379 0.688303 0.544493} H2 3577 -1 8 {} O 0.0 {0.341649 0.659037 0.555446} O4 3578 -1 1 {} H 0.0 {0.333203 0.663365 0.552522} H3 3579 -1 8 {} O 0.0 {0.386175 0.652383 0.568145} O5 3580 -1 1 {} H 0.0 {0.388208 0.643386 0.565007} H4 3581 -1 8 {} O 0.0 {0.387698 0.654722 0.543695} O6 3582 -1 1 {} H 0.0 {0.396316 0.659204 0.540284} H5 3583 -1 8 {} O 0.0 {0.391389 0.673711 0.559468} O7 3584 -1 1 {} H 0.0 {0.386454 0.678852 0.567217} H6 3585 -1 8 {} O 0.0 {0.380047 0.692697 0.430248} O1 3586 -1 14 {} Si 0.0 {0.387097 0.678591 0.430308} Si1 3587 -1 14 {} Si 0.0 {0.37433 0.706775 0.434715} Si2 3588 -1 8 {} O 0.0 {0.383997 0.716728 0.427107} O2 3589 -1 1 {} H 0.0 {0.37926 0.724442 0.423809} H1 3590 -1 8 {} O 0.0 {0.375632 0.711617 0.449848} O3 3591 -1 1 {} H 0.0 {0.378731 0.705023 0.455849} H2 3592 -1 8 {} O 0.0 {0.360754 0.710811 0.426712} O4 3593 -1 1 {} H 0.0 {0.43137 0.684768 0.40626} H3 3594 -1 8 {} O 0.0 {0.381416 0.668844 0.441296} O5 3595 -1 1 {} H 0.0 {0.375066 0.72061 0.393824} H4 3596 -1 8 {} O 0.0 {0.388049 0.66978 0.416972} O6 3597 -1 1 {} H 0.0 {0.363558 0.627318 0.413214} H5 3598 -1 8 {} O 0.0 {0.401845 0.681343 0.435649} O7 3599 -1 1 {} H 0.0 {0.409012 0.687383 0.431088} H6 3600 -1 8 {} O 0.0 {0.428715 0.379842 0.446218} O1 3601 -1 14 {} Si 0.0 {0.436761 0.37767 0.45894} Si1 3602 -1 14 {} Si 0.0 {0.420541 0.378347 0.432997} Si2 3603 -1 8 {} O 0.0 {0.406488 0.373106 0.436901} O2 3604 -1 1 {} H 0.0 {0.399985 0.377374 0.431007} H1 3605 -1 8 {} O 0.0 {0.42346 0.367673 0.422009} O3 3606 -1 1 {} H 0.0 {0.416664 0.367986 0.414983} H2 3607 -1 8 {} O 0.0 {0.418715 0.392461 0.427048} O4 3608 -1 1 {} H 0.0 {0.424054 0.399921 0.431845} H3 3609 -1 8 {} O 0.0 {0.450736 0.372072 0.45872} O5 3610 -1 1 {} H 0.0 {0.454507 0.371433 0.467341} H4 3611 -1 8 {} O 0.0 {0.437811 0.389811 0.468034} O6 3612 -1 1 {} H 0.0 {0.439801 0.398188 0.463781} H5 3613 -1 8 {} O 0.0 {0.42799 0.36728 0.46721} O7 3614 -1 1 {} H 0.0 {0.425105 0.372242 0.47575} H6 3615 -1 8 {} O 0.0 {0.521361 0.267512 0.623493} O1 3616 -1 14 {} Si 0.0 {0.536151 0.269151 0.626509} Si1 3617 -1 14 {} Si 0.0 {0.508551 0.269072 0.613204} Si2 3618 -1 8 {} O 0.0 {0.552291 0.662311 0.696722} O2 3619 -1 1 {} H 0.0 {0.551842 0.656004 0.689508} H1 3620 -1 8 {} O 0.0 {0.498573 0.281168 0.615666} O3 3621 -1 1 {} H 0.0 {0.515881 0.268884 0.562589} H2 3622 -1 8 {} O 0.0 {0.511518 0.269243 0.59967} O4 3623 -1 1 {} H 0.0 {0.476371 0.330022 0.652937} H3 3624 -1 8 {} O 0.0 {0.545275 0.271882 0.614616} O5 3625 -1 1 {} H 0.0 {0.548592 0.280943 0.613975} H4 3626 -1 8 {} O 0.0 {0.541133 0.279051 0.638178} O6 3627 -1 1 {} H 0.0 {0.53326 0.280468 0.643377} H5 3628 -1 8 {} O 0.0 {0.540659 0.256205 0.63365} O7 3629 -1 1 {} H 0.0 {0.529263 0.261559 0.560842} H6 3630 -1 8 {} O 0.0 {0.494569 0.32343 0.459551} O1 3631 -1 14 {} Si 0.0 {0.497694 0.338254 0.461522} Si1 3632 -1 14 {} Si 0.0 {0.49491 0.308099 0.456645} Si2 3633 -1 8 {} O 0.0 {0.495251 0.296863 0.467759} O2 3634 -1 1 {} H 0.0 {0.486245 0.291812 0.467404} H1 3635 -1 8 {} O 0.0 {0.507082 0.303478 0.448091} O3 3636 -1 1 {} H 0.0 {0.51061 0.295637 0.451747} H2 3637 -1 8 {} O 0.0 {0.482049 0.304582 0.448772} O4 3638 -1 1 {} H 0.0 {0.481558 0.307554 0.439423} H3 3639 -1 8 {} O 0.0 {0.487602 0.344879 0.47065} O5 3640 -1 1 {} H 0.0 {0.484266 0.338207 0.477185} H4 3641 -1 8 {} O 0.0 {0.512702 0.340773 0.465838} O6 3642 -1 1 {} H 0.0 {0.514607 0.350282 0.465139} H5 3643 -1 8 {} O 0.0 {0.494358 0.345654 0.44783} O7 3644 -1 1 {} H 0.0 {0.485007 0.346995 0.446205} H6 3645 -1 8 {} O 0.0 {0.345481 0.348756 0.646795} O1 3646 -1 14 {} Si 0.0 {0.355814 0.361267 0.644875} Si1 3647 -1 14 {} Si 0.0 {0.333397 0.339117 0.642465} Si2 3648 -1 8 {} O 0.0 {0.339025 0.32782 0.633602} O2 3649 -1 1 {} H 0.0 {0.307135 0.358799 0.565831} H1 3650 -1 8 {} O 0.0 {0.63466 0.397767 0.585609} O3 3651 -1 1 {} H 0.0 {0.641525 0.393293 0.591194} H2 3652 -1 8 {} O 0.0 {0.326463 0.346376 0.632844} O4 3653 -1 1 {} H 0.0 {0.323168 0.34842 0.613528} H3 3654 -1 8 {} O 0.0 {0.34886 0.37177 0.634617} O5 3655 -1 1 {} H 0.0 {0.345337 0.367185 0.626441} H4 3656 -1 8 {} O 0.0 {0.361015 0.367956 0.657913} O6 3657 -1 1 {} H 0.0 {0.34609 0.37337 0.605779} H5 3658 -1 8 {} O 0.0 {0.367134 0.355825 0.635605} O7 3659 -1 1 {} H 0.0 {0.363481 0.346763 0.629079} H6 3660 -1 8 {} O 0.0 {0.577229 0.516854 0.384845} O1 3661 -1 14 {} Si 0.0 {0.565631 0.505806 0.386466} Si1 3662 -1 14 {} Si 0.0 {0.585379 0.529609 0.387044} Si2 3663 -1 8 {} O 0.0 {0.582979 0.53276 0.402105} O2 3664 -1 1 {} H 0.0 {0.591483 0.533142 0.406579} H1 3665 -1 8 {} O 0.0 {0.578344 0.540726 0.378203} O3 3666 -1 1 {} H 0.0 {0.569779 0.542926 0.38158} H2 3667 -1 8 {} O 0.0 {0.601275 0.527249 0.383123} O4 3668 -1 1 {} H 0.0 {0.606025 0.522067 0.388874} H3 3669 -1 8 {} O 0.0 {0.555368 0.502318 0.375027} O5 3670 -1 1 {} H 0.0 {0.547648 0.497431 0.377841} H4 3671 -1 8 {} O 0.0 {0.572827 0.492775 0.391733} O6 3672 -1 1 {} H 0.0 {0.582493 0.502537 0.327334} H5 3673 -1 8 {} O 0.0 {0.556466 0.512018 0.397025} O7 3674 -1 1 {} H 0.0 {0.558224 0.508174 0.405627} H6 3675 -1 8 {} O 0.0 {0.332164 0.359775 0.445388} O1 3676 -1 14 {} Si 0.0 {0.335112 0.346802 0.438107} Si1 3677 -1 14 {} Si 0.0 {0.335523 0.37393 0.452285} Si2 3678 -1 8 {} O 0.0 {0.325943 0.383977 0.445372} O2 3679 -1 1 {} H 0.0 {0.324931 0.384785 0.435244} H1 3680 -1 8 {} O 0.0 {0.34878 0.380304 0.449338} O3 3681 -1 1 {} H 0.0 {0.333912 0.394257 0.417915} H2 3682 -1 8 {} O 0.0 {0.334883 0.37224 0.468456} O4 3683 -1 1 {} H 0.0 {0.337237 0.379896 0.474417} H3 3684 -1 8 {} O 0.0 {0.334423 0.335114 0.448085} O5 3685 -1 1 {} H 0.0 {0.337517 0.338088 0.457855} H4 3686 -1 8 {} O 0.0 {0.326113 0.345241 0.42538} O6 3687 -1 1 {} H 0.0 {0.323532 0.335744 0.425211} H5 3688 -1 8 {} O 0.0 {0.349697 0.346134 0.434111} O7 3689 -1 1 {} H 0.0 {0.289918 0.42155 0.486157} H6 3690 -1 8 {} O 0.0 {0.405197 0.369744 0.629957} O1 3691 -1 14 {} Si 0.0 {0.402847 0.372789 0.613882} Si1 3692 -1 14 {} Si 0.0 {0.401333 0.366704 0.644299} Si2 3693 -1 8 {} O 0.0 {0.390545 0.377195 0.649559} O2 3694 -1 1 {} H 0.0 {0.365182 0.417107 0.699875} H1 3695 -1 8 {} O 0.0 {0.414516 0.367434 0.653117} O3 3696 -1 1 {} H 0.0 {0.433916 0.39217 0.668127} H2 3697 -1 8 {} O 0.0 {0.393334 0.353561 0.641975} O4 3698 -1 1 {} H 0.0 {0.465593 0.350952 0.654535} H3 3699 -1 8 {} O 0.0 {0.412286 0.3842 0.608593} O5 3700 -1 1 {} H 0.0 {0.414277 0.391204 0.615329} H4 3701 -1 8 {} O 0.0 {0.407851 0.359602 0.606519} O6 3702 -1 1 {} H 0.0 {0.384044 0.355479 0.638688} H5 3703 -1 8 {} O 0.0 {0.387275 0.373104 0.609827} O7 3704 -1 1 {} H 0.0 {0.383002 0.363605 0.609312} H6 3705 -1 8 {} O 0.0 {0.663541 0.509005 0.346246} O1 3706 -1 14 {} Si 0.0 {0.652827 0.50818 0.357293} Si1 3707 -1 14 {} Si 0.0 {0.677378 0.514762 0.341237} Si2 3708 -1 8 {} O 0.0 {0.681014 0.529232 0.335181} O2 3709 -1 1 {} H 0.0 {0.679084 0.536234 0.341661} H1 3710 -1 8 {} O 0.0 {0.689674 0.497289 0.339563} O3 3711 -1 1 {} H 0.0 {0.683184 0.490755 0.342034} H2 3712 -1 8 {} O 0.0 {0.349486 0.483137 0.400482} O4 3713 -1 1 {} H 0.0 {0.354314 0.474939 0.403007} H3 3714 -1 8 {} O 0.0 {0.658209 0.497027 0.36695} O5 3715 -1 1 {} H 0.0 {0.403096 0.502263 0.381906} H4 3716 -1 8 {} O 0.0 {0.289549 0.49908 0.506846} O6 3717 -1 1 {} H 0.0 {0.288493 0.493876 0.515461} H5 3718 -1 8 {} O 0.0 {0.639159 0.50631 0.35004} O7 3719 -1 1 {} H 0.0 {0.63747 0.514806 0.344937} H6 3720 -1 8 {} O 0.0 {0.578735 0.437829 0.635415} O1 3721 -1 14 {} Si 0.0 {0.569156 0.450071 0.638679} Si1 3722 -1 14 {} Si 0.0 {0.586043 0.425182 0.64016} Si2 3723 -1 8 {} O 0.0 {0.592238 0.415948 0.629166} O2 3724 -1 1 {} H 0.0 {0.601051 0.413048 0.632844} H1 3725 -1 8 {} O 0.0 {0.576689 0.415969 0.648499} O3 3726 -1 1 {} H 0.0 {0.568509 0.420754 0.651102} H2 3727 -1 8 {} O 0.0 {0.59814 0.430235 0.649488} O4 3728 -1 1 {} H 0.0 {0.593906 0.433006 0.657526} H3 3729 -1 8 {} O 0.0 {0.562395 0.443681 0.651536} O5 3730 -1 1 {} H 0.0 {0.565543 0.448577 0.658735} H4 3731 -1 8 {} O 0.0 {0.574105 0.463748 0.644157} O6 3732 -1 1 {} H 0.0 {0.566562 0.469913 0.643894} H5 3733 -1 8 {} O 0.0 {0.557432 0.451414 0.62846} O7 3734 -1 1 {} H 0.0 {0.55318 0.442661 0.627818} H6 3735 -1 8 {} O 0.0 {0.609489 0.598598 0.334279} O1 3736 -1 14 {} Si 0.0 {0.603068 0.590014 0.323347} Si1 3737 -1 14 {} Si 0.0 {0.61554 0.606741 0.346265} Si2 3738 -1 8 {} O 0.0 {0.604353 0.607863 0.357572} O2 3739 -1 1 {} H 0.0 {0.595874 0.605179 0.354037} H1 3740 -1 8 {} O 0.0 {0.621347 0.621023 0.342786} O3 3741 -1 1 {} H 0.0 {0.627211 0.624101 0.35075} H2 3742 -1 8 {} O 0.0 {0.62605 0.596504 0.352411} O4 3743 -1 1 {} H 0.0 {0.622158 0.588289 0.354991} H3 3744 -1 8 {} O 0.0 {0.593335 0.598985 0.31522} O5 3745 -1 1 {} H 0.0 {0.584353 0.598376 0.317748} H4 3746 -1 8 {} O 0.0 {0.613827 0.581114 0.315862} O6 3747 -1 1 {} H 0.0 {0.496572 0.518636 0.312989} H5 3748 -1 8 {} O 0.0 {0.592034 0.580712 0.32977} O7 3749 -1 1 {} H 0.0 {0.587456 0.585558 0.337243} H6 3750 -1 8 {} O 0.0 {0.310781 0.439148 0.494665} O1 3751 -1 14 {} Si 0.0 {0.307819 0.452588 0.486151} Si1 3752 -1 14 {} Si 0.0 {0.316157 0.426076 0.500454} Si2 3753 -1 8 {} O 0.0 {0.327361 0.418899 0.492689} O2 3754 -1 1 {} H 0.0 {0.335721 0.424296 0.492397} H1 3755 -1 8 {} O 0.0 {0.303253 0.417085 0.502079} O3 3756 -1 1 {} H 0.0 {0.302926 0.412531 0.510664} H2 3757 -1 8 {} O 0.0 {0.319274 0.427465 0.515665} O4 3758 -1 1 {} H 0.0 {0.322999 0.41883 0.51917} H3 3759 -1 8 {} O 0.0 {0.321879 0.457981 0.483946} O5 3760 -1 1 {} H 0.0 {0.324758 0.459178 0.474089} H4 3761 -1 8 {} O 0.0 {0.298836 0.447925 0.473795} O6 3762 -1 1 {} H 0.0 {0.291395 0.439059 0.476969} H5 3763 -1 8 {} O 0.0 {0.299789 0.460549 0.496713} O7 3764 -1 1 {} H 0.0 {0.304136 0.466477 0.503241} H6 3765 -1 8 {} O 0.0 {0.550853 0.597677 0.513708} O1 3766 -1 14 {} Si 0.0 {0.542301 0.607217 0.504696} Si1 3767 -1 14 {} Si 0.0 {0.56058 0.587855 0.522654} Si2 3768 -1 8 {} O 0.0 {0.560311 0.572724 0.516933} O2 3769 -1 1 {} H 0.0 {0.563581 0.566362 0.523392} H1 3770 -1 8 {} O 0.0 {0.553444 0.588216 0.536595} O3 3771 -1 1 {} H 0.0 {0.545385 0.582663 0.537354} H2 3772 -1 8 {} O 0.0 {0.575697 0.591659 0.525211} O4 3773 -1 1 {} H 0.0 {0.582188 0.584201 0.522793} H3 3774 -1 8 {} O 0.0 {0.554836 0.614666 0.49724} O5 3775 -1 1 {} H 0.0 {0.551572 0.616299 0.487912} H4 3776 -1 8 {} O 0.0 {0.534884 0.598361 0.493826} O6 3777 -1 1 {} H 0.0 {0.527046 0.593261 0.497219} H5 3778 -1 8 {} O 0.0 {0.534029 0.619059 0.512578} O7 3779 -1 1 {} H 0.0 {0.53411 0.617935 0.522232} H6 3780 -1 8 {} O 0.0 {0.661048 0.544256 0.49682} O1 3781 -1 14 {} Si 0.0 {0.649357 0.553283 0.491862} Si1 3782 -1 14 {} Si 0.0 {0.676868 0.54189 0.496931} Si2 3783 -1 8 {} O 0.0 {0.680589 0.554518 0.488719} O2 3784 -1 1 {} H 0.0 {0.672555 0.604848 0.495507} H1 3785 -1 8 {} O 0.0 {0.677429 0.529217 0.488175} O3 3786 -1 1 {} H 0.0 {0.670105 0.523031 0.490485} H2 3787 -1 8 {} O 0.0 {0.680558 0.539042 0.511931} O4 3788 -1 1 {} H 0.0 {0.677846 0.530534 0.514281} H3 3789 -1 8 {} O 0.0 {0.28805 0.611317 0.493378} O5 3790 -1 1 {} H 0.0 {0.283442 0.603447 0.496348} H4 3791 -1 8 {} O 0.0 {0.64579 0.547046 0.478197} O6 3792 -1 1 {} H 0.0 {0.639992 0.539129 0.477705} H5 3793 -1 8 {} O 0.0 {0.308738 0.662313 0.493591} O7 3794 -1 1 {} H 0.0 {0.311959 0.656847 0.486492} H6 3795 -1 8 {} O 0.0 {0.639947 0.418703 0.493359} O1 3796 -1 14 {} Si 0.0 {0.637582 0.434074 0.491028} Si1 3797 -1 14 {} Si 0.0 {0.640995 0.406883 0.503595} Si2 3798 -1 8 {} O 0.0 {0.65353 0.389384 0.601566} O2 3799 -1 1 {} H 0.0 {0.660888 0.387065 0.596498} H1 3800 -1 8 {} O 0.0 {0.631555 0.41194 0.515024} O3 3801 -1 1 {} H 0.0 {0.622594 0.413074 0.511203} H2 3802 -1 8 {} O 0.0 {0.655348 0.404695 0.509118} O4 3803 -1 1 {} H 0.0 {0.65955 0.397535 0.503702} H3 3804 -1 8 {} O 0.0 {0.651871 0.439821 0.494107} O5 3805 -1 1 {} H 0.0 {0.652304 0.447209 0.501239} H4 3806 -1 8 {} O 0.0 {0.631828 0.43815 0.476947} O6 3807 -1 1 {} H 0.0 {0.638821 0.437133 0.470267} H5 3808 -1 8 {} O 0.0 {0.629468 0.438931 0.503328} O7 3809 -1 1 {} H 0.0 {0.630489 0.433054 0.511082} H6 3810 -1 8 {} O 0.0 {0.373738 0.62169 0.505237} O1 3811 -1 14 {} Si 0.0 {0.376082 0.607886 0.498867} Si1 3812 -1 14 {} Si 0.0 {0.377002 0.636149 0.509771} Si2 3813 -1 8 {} O 0.0 {0.373082 0.645739 0.498566} O2 3814 -1 1 {} H 0.0 {0.37553 0.642358 0.49021} H1 3815 -1 8 {} O 0.0 {0.391991 0.63594 0.511296} O3 3816 -1 1 {} H 0.0 {0.394605 0.629247 0.517766} H2 3817 -1 8 {} O 0.0 {0.371073 0.640925 0.523795} O4 3818 -1 1 {} H 0.0 {0.378164 0.641678 0.530143} H3 3819 -1 8 {} O 0.0 {0.384134 0.596497 0.505913} O5 3820 -1 1 {} H 0.0 {0.392296 0.5945 0.501422} H4 3821 -1 8 {} O 0.0 {0.362537 0.602673 0.492709} O6 3822 -1 1 {} H 0.0 {0.362261 0.593246 0.492565} H5 3823 -1 8 {} O 0.0 {0.383369 0.609914 0.485746} O7 3824 -1 1 {} H 0.0 {0.381143 0.618001 0.481685} H6 3825 -1 8 {} O 0.0 {0.267418 0.605647 0.710867} O1 3826 -1 14 {} Si 0.0 {0.275269 0.611288 0.699296} Si1 3827 -1 14 {} Si 0.0 {0.351183 0.652637 0.592602} Si2 3828 -1 8 {} O 0.0 {0.423207 0.616901 0.706324} O2 3829 -1 1 {} H 0.0 {0.441416 0.583221 0.715159} H1 3830 -1 8 {} O 0.0 {0.193742 0.0900601 0.821005} O3 3831 -1 1 {} H 0.0 {0.195159 0.0832451 0.814616} H2 3832 -1 8 {} O 0.0 {0.361721 0.64475 0.584002} O4 3833 -1 1 {} H 0.0 {0.456791 0.660361 0.583895} H3 3834 -1 8 {} O 0.0 {0.286378 0.60226 0.692933} O5 3835 -1 1 {} H 0.0 {0.289303 0.606597 0.684922} H4 3836 -1 8 {} O 0.0 {0.281586 0.624015 0.704438} O6 3837 -1 1 {} H 0.0 {0.275444 0.62874 0.71047} H5 3838 -1 8 {} O 0.0 {0.337376 0.656067 0.585256} O7 3839 -1 1 {} H 0.0 {0.27215 0.597212 0.713265} H6 3840 -1 8 {} O 0.0 {0.65484 0.608506 0.571164} O1 3841 -1 14 {} Si 0.0 {0.290778 0.601121 0.537559} Si1 3842 -1 14 {} Si 0.0 {0.645248 0.605144 0.583096} Si2 3843 -1 8 {} O 0.0 {0.6324 0.601556 0.574908} O2 3844 -1 1 {} H 0.0 {0.658053 0.598655 0.554083} H1 3845 -1 8 {} O 0.0 {0.64099 0.616668 0.592152} O3 3846 -1 1 {} H 0.0 {0.648179 0.62463 0.606192} H2 3847 -1 8 {} O 0.0 {0.648644 0.591634 0.59053} O4 3848 -1 1 {} H 0.0 {0.649329 0.587964 0.599672} H3 3849 -1 8 {} O 0.0 {0.29421 0.594814 0.523865} O5 3850 -1 1 {} H 0.0 {0.301386 0.600132 0.518881} H4 3851 -1 8 {} O 0.0 {0.28394 0.612857 0.535051} O6 3852 -1 1 {} H 0.0 {0.281899 0.572453 0.560014} H5 3853 -1 8 {} O 0.0 {0.658732 0.590589 0.548374} O7 3854 -1 1 {} H 0.0 {0.661469 0.578082 0.506819} H6 3855 -1 8 {} O 0.0 {0.373754 0.56244 0.393016} O1 3856 -1 14 {} Si 0.0 {0.369575 0.570701 0.380886} Si1 3857 -1 14 {} Si 0.0 {0.380653 0.553944 0.403793} Si2 3858 -1 8 {} O 0.0 {0.371785 0.543758 0.411771} O2 3859 -1 1 {} H 0.0 {0.365092 0.548134 0.417544} H1 3860 -1 8 {} O 0.0 {0.386672 0.56223 0.415818} O3 3861 -1 1 {} H 0.0 {0.395617 0.558359 0.417773} H2 3862 -1 8 {} O 0.0 {0.393645 0.546829 0.39912} O4 3863 -1 1 {} H 0.0 {0.394776 0.538059 0.403288} H3 3864 -1 8 {} O 0.0 {0.362805 0.583219 0.386379} O5 3865 -1 1 {} H 0.0 {0.368933 0.590052 0.389667} H4 3866 -1 8 {} O 0.0 {0.382881 0.576172 0.375517} O6 3867 -1 1 {} H 0.0 {0.388322 0.570289 0.371509} H5 3868 -1 8 {} O 0.0 {0.362703 0.562447 0.369751} O7 3869 -1 1 {} H 0.0 {0.35923 0.554119 0.373583} H6 3870 -1 8 {} O 0.0 {0.54392 0.457379 0.711459} O1 3871 -1 14 {} Si 0.0 {0.547885 0.471177 0.717496} Si1 3872 -1 14 {} Si 0.0 {0.540573 0.446348 0.700484} Si2 3873 -1 8 {} O 0.0 {0.524221 0.445985 0.69952} O2 3874 -1 1 {} H 0.0 {0.52174 0.450568 0.691789} H1 3875 -1 8 {} O 0.0 {0.545658 0.431748 0.704174} O3 3876 -1 1 {} H 0.0 {0.555021 0.432493 0.707894} H2 3877 -1 8 {} O 0.0 {0.548085 0.448578 0.687159} O4 3878 -1 1 {} H 0.0 {0.63533 0.450666 0.343242} H3 3879 -1 8 {} O 0.0 {0.540822 0.479394 0.706612} O5 3880 -1 1 {} H 0.0 {0.539484 0.479519 0.697155} H4 3881 -1 8 {} O 0.0 {0.508367 0.576815 0.339578} O6 3882 -1 1 {} H 0.0 {0.51466 0.576525 0.347302} H5 3883 -1 8 {} O 0.0 {0.562027 0.473506 0.713973} O7 3884 -1 1 {} H 0.0 {0.569397 0.475608 0.70734} H6 3885 -1 8 {} O 0.0 {0.509298 0.64327 0.603352} O1 3886 -1 14 {} Si 0.0 {0.500608 0.656418 0.600677} Si1 3887 -1 14 {} Si 0.0 {0.50937 0.627732 0.605863} Si2 3888 -1 8 {} O 0.0 {0.523376 0.621928 0.608705} O2 3889 -1 1 {} H 0.0 {0.531087 0.66664 0.633242} H1 3890 -1 8 {} O 0.0 {0.503661 0.621657 0.592827} O3 3891 -1 1 {} H 0.0 {0.499259 0.61339 0.595626} H2 3892 -1 8 {} O 0.0 {0.500018 0.625537 0.617763} O4 3893 -1 1 {} H 0.0 {0.490766 0.625444 0.615288} H3 3894 -1 8 {} O 0.0 {0.505069 0.662155 0.586787} O5 3895 -1 1 {} H 0.0 {0.511736 0.656815 0.582202} H4 3896 -1 8 {} O 0.0 {0.485001 0.653325 0.603757} O6 3897 -1 1 {} H 0.0 {0.479867 0.654065 0.595364} H5 3898 -1 8 {} O 0.0 {0.508028 0.667615 0.60907} O7 3899 -1 1 {} H 0.0 {0.515333 0.662912 0.61419} H6 3900 -1 8 {} O 0.0 {0.363055 0.402866 0.47251} O1 3901 -1 14 {} Si 0.0 {0.358119 0.398852 0.487134} Si1 3902 -1 14 {} Si 0.0 {0.366222 0.408261 0.457801} Si2 3903 -1 8 {} O 0.0 {0.354085 0.405275 0.448744} O2 3904 -1 1 {} H 0.0 {0.351203 0.394409 0.446326} H1 3905 -1 8 {} O 0.0 {0.377529 0.397935 0.4548} O3 3906 -1 1 {} H 0.0 {0.373795 0.388678 0.451844} H2 3907 -1 8 {} O 0.0 {0.370369 0.423594 0.458044} O4 3908 -1 1 {} H 0.0 {0.378064 0.42519 0.464032} H3 3909 -1 8 {} O 0.0 {0.35875 0.40975 0.498496} O5 3910 -1 1 {} H 0.0 {0.364751 0.409192 0.506668} H4 3911 -1 8 {} O 0.0 {0.34321 0.395322 0.484713} O6 3912 -1 1 {} H 0.0 {0.336449 0.402384 0.48768} H5 3913 -1 8 {} O 0.0 {0.365729 0.385047 0.488859} O7 3914 -1 1 {} H 0.0 {0.363887 0.379223 0.480801} H6 3915 -1 8 {} O 0.0 {0.380329 0.410681 0.342727} O1 3916 -1 14 {} Si 0.0 {0.378443 0.394693 0.342001} Si1 3917 -1 14 {} Si 0.0 {0.376473 0.425578 0.339396} Si2 3918 -1 8 {} O 0.0 {0.375117 0.430562 0.354134} O2 3919 -1 1 {} H 0.0 {0.381433 0.428718 0.361108} H1 3920 -1 8 {} O 0.0 {0.363475 0.423982 0.331041} O3 3921 -1 1 {} H 0.0 {0.354178 0.42639 0.33057} H2 3922 -1 8 {} O 0.0 {0.388561 0.431701 0.331338} O4 3923 -1 1 {} H 0.0 {0.394464 0.425829 0.327103} H3 3924 -1 8 {} O 0.0 {0.385785 0.387259 0.329847} O5 3925 -1 1 {} H 0.0 {0.379597 0.386298 0.322652} H4 3926 -1 8 {} O 0.0 {0.378401 0.388324 0.360873} O6 3927 -1 1 {} H 0.0 {0.386517 0.392833 0.365033} H5 3928 -1 8 {} O 0.0 {0.363726 0.39371 0.336407} O7 3929 -1 1 {} H 0.0 {0.360386 0.40268 0.335169} H6 3930 -1 8 {} O 0.0 {0.513958 0.579614 0.583871} O1 3931 -1 14 {} Si 0.0 {0.52065 0.585798 0.570651} Si1 3932 -1 14 {} Si 0.0 {0.507844 0.572351 0.596499} Si2 3933 -1 8 {} O 0.0 {0.508888 0.556505 0.593257} O2 3934 -1 1 {} H 0.0 {0.505526 0.553966 0.584067} H1 3935 -1 8 {} O 0.0 {0.493199 0.575458 0.601967} O3 3936 -1 1 {} H 0.0 {0.488505 0.589643 0.597729} H2 3937 -1 8 {} O 0.0 {0.516453 0.577109 0.609455} O4 3938 -1 1 {} H 0.0 {0.525785 0.576364 0.607707} H3 3939 -1 8 {} O 0.0 {0.512136 0.585239 0.557363} O5 3940 -1 1 {} H 0.0 {0.516944 0.581528 0.54977} H4 3941 -1 8 {} O 0.0 {0.524848 0.600508 0.573385} O6 3942 -1 1 {} H 0.0 {0.529975 0.601849 0.581487} H5 3943 -1 8 {} O 0.0 {0.534189 0.579523 0.568643} O7 3944 -1 1 {} H 0.0 {0.543764 0.578028 0.567435} H6 3945 -1 8 {} O 0.0 {0.562019 0.593585 0.411145} O1 3946 -1 14 {} Si 0.0 {0.551136 0.58981 0.400824} Si1 3947 -1 14 {} Si 0.0 {0.568552 0.595958 0.425188} Si2 3948 -1 8 {} O 0.0 {0.558929 0.592287 0.437307} O2 3949 -1 1 {} H 0.0 {0.564279 0.586321 0.443424} H1 3950 -1 8 {} O 0.0 {0.571747 0.611348 0.426409} O3 3951 -1 1 {} H 0.0 {0.567556 0.614217 0.43521} H2 3952 -1 8 {} O 0.0 {0.581831 0.58804 0.426893} O4 3953 -1 1 {} H 0.0 {0.583317 0.583522 0.418138} H3 3954 -1 8 {} O 0.0 {0.546133 0.603625 0.395922} O5 3955 -1 1 {} H 0.0 {0.539512 0.607725 0.402088} H4 3956 -1 8 {} O 0.0 {0.558727 0.580245 0.391527} O6 3957 -1 1 {} H 0.0 {0.574975 0.588434 0.383676} H5 3958 -1 8 {} O 0.0 {0.540529 0.581103 0.408484} O7 3959 -1 1 {} H 0.0 {0.544672 0.57441 0.415327} H6 3960 -1 8 {} O 0.0 {0.467023 0.420368 0.51691} O1 3961 -1 14 {} Si 0.0 {0.455912 0.422512 0.506092} Si1 3962 -1 14 {} Si 0.0 {0.477855 0.426495 0.526588} Si2 3963 -1 8 {} O 0.0 {0.485216 0.439483 0.521858} O2 3964 -1 1 {} H 0.0 {0.479518 0.447326 0.521432} H1 3965 -1 8 {} O 0.0 {0.488555 0.415529 0.529165} O3 3966 -1 1 {} H 0.0 {0.484682 0.406906 0.527502} H2 3967 -1 8 {} O 0.0 {0.471676 0.428174 0.540414} O4 3968 -1 1 {} H 0.0 {0.476775 0.426024 0.548589} H3 3969 -1 8 {} O 0.0 {0.455882 0.410789 0.496167} O5 3970 -1 1 {} H 0.0 {0.462851 0.404414 0.498845} H4 3971 -1 8 {} O 0.0 {0.443195 0.419543 0.514738} O6 3972 -1 1 {} H 0.0 {0.445583 0.412684 0.520727} H5 3973 -1 8 {} O 0.0 {0.457027 0.436402 0.499204} O7 3974 -1 1 {} H 0.0 {0.448387 0.440056 0.497642} H6 3975 -1 8 {} O 0.0 {0.55692 0.489776 0.340654} O1 3976 -1 14 {} Si 0.0 {0.545001 0.479887 0.344801} Si1 3977 -1 14 {} Si 0.0 {0.563201 0.503007 0.3369} Si2 3978 -1 8 {} O 0.0 {0.562548 0.513123 0.348787} O2 3979 -1 1 {} H 0.0 {0.560836 0.508667 0.357234} H1 3980 -1 8 {} O 0.0 {0.559999 0.509465 0.323102} O3 3981 -1 1 {} H 0.0 {0.568171 0.509541 0.317916} H2 3982 -1 8 {} O 0.0 {0.578231 0.500023 0.335631} O4 3983 -1 1 {} H 0.0 {0.509565 0.586639 0.337155} H3 3984 -1 8 {} O 0.0 {0.532431 0.488168 0.349569} O5 3985 -1 1 {} H 0.0 {0.524062 0.484061 0.34556} H4 3986 -1 8 {} O 0.0 {0.53985 0.471969 0.332298} O6 3987 -1 1 {} H 0.0 {0.534483 0.46456 0.335475} H5 3988 -1 8 {} O 0.0 {0.548938 0.469992 0.355885} O7 3989 -1 1 {} H 0.0 {0.558706 0.468874 0.355478} H6 3990 -1 8 {} O 0.0 {0.666479 0.582835 0.345434} O1 3991 -1 14 {} Si 0.0 {0.668293 0.591628 0.357851} Si1 3992 -1 14 {} Si 0.0 {0.660818 0.573836 0.33418} Si2 3993 -1 8 {} O 0.0 {0.645977 0.569364 0.335572} O2 3994 -1 1 {} H 0.0 {0.644997 0.560695 0.339836} H1 3995 -1 8 {} O 0.0 {0.668027 0.560684 0.331694} O3 3996 -1 1 {} H 0.0 {0.674574 0.559376 0.338469} H2 3997 -1 8 {} O 0.0 {0.662796 0.580529 0.320106} O4 3998 -1 1 {} H 0.0 {0.669815 0.575936 0.315572} H3 3999 -1 8 {} O 0.0 {0.67031 0.583379 0.371275} O5 4000 -1 1 {} H 0.0 {0.709445 0.55354 0.371568} H4 4001 -1 8 {} O 0.0 {0.681648 0.600376 0.356108} O6 4002 -1 1 {} H 0.0 {0.682878 0.607205 0.362379} H5 4003 -1 8 {} O 0.0 {0.656143 0.601615 0.360347} O7 4004 -1 1 {} H 0.0 {0.649043 0.599273 0.354283} H6 4005 -1 8 {} O 0.0 {0.446541 0.513774 0.546201} O1 4006 -1 14 {} Si 0.0 {0.458485 0.522549 0.542561} Si1 4007 -1 14 {} Si 0.0 {0.43248 0.507935 0.548676} Si2 4008 -1 8 {} O 0.0 {0.431359 0.494216 0.54159} O2 4009 -1 1 {} H 0.0 {0.434707 0.487197 0.547808} H1 4010 -1 8 {} O 0.0 {0.420376 0.51597 0.543389} O3 4011 -1 1 {} H 0.0 {0.419926 0.515255 0.533847} H2 4012 -1 8 {} O 0.0 {0.430785 0.503628 0.563244} O4 4013 -1 1 {} H 0.0 {0.42155 0.501914 0.565386} H3 4014 -1 8 {} O 0.0 {0.468968 0.512834 0.536723} O5 4015 -1 1 {} H 0.0 {0.465323 0.504396 0.533938} H4 4016 -1 8 {} O 0.0 {0.456859 0.531279 0.530218} O6 4017 -1 1 {} H 0.0 {0.465536 0.534971 0.526998} H5 4018 -1 8 {} O 0.0 {0.464519 0.530434 0.55458} O7 4019 -1 1 {} H 0.0 {0.473542 0.533617 0.552768} H6 4020 -1 8 {} O 0.0 {0.414507 0.428186 0.379728} O1 4021 -1 14 {} Si 0.0 {0.404596 0.439956 0.373064} Si1 4022 -1 14 {} Si 0.0 {0.428727 0.421843 0.380269} Si2 4023 -1 8 {} O 0.0 {0.429318 0.412951 0.367277} O2 4024 -1 1 {} H 0.0 {0.434951 0.417848 0.360653} H1 4025 -1 8 {} O 0.0 {0.428256 0.411199 0.391988} O3 4026 -1 1 {} H 0.0 {0.419217 0.41028 0.39577} H2 4027 -1 8 {} O 0.0 {0.439495 0.433348 0.379252} O4 4028 -1 1 {} H 0.0 {0.446082 0.433246 0.386484} H3 4029 -1 8 {} O 0.0 {0.408465 0.441965 0.357323} O5 4030 -1 1 {} H 0.0 {0.363075 0.519799 0.384241} H4 4031 -1 8 {} O 0.0 {0.389718 0.435518 0.377003} O6 4032 -1 1 {} H 0.0 {0.385099 0.442107 0.383477} H5 4033 -1 8 {} O 0.0 {0.406236 0.452428 0.382498} O7 4034 -1 1 {} H 0.0 {0.415671 0.456378 0.380883} H6 4035 -1 8 {} O 0.0 {0.616649 0.386293 0.598631} O1 4036 -1 14 {} Si 0.0 {0.620668 0.391088 0.583381} Si1 4037 -1 14 {} Si 0.0 {0.614078 0.376097 0.610699} Si2 4038 -1 8 {} O 0.0 {0.599224 0.378828 0.615214} O2 4039 -1 1 {} H 0.0 {0.596652 0.372851 0.623016} H1 4040 -1 8 {} O 0.0 {0.622924 0.381964 0.621462} O3 4041 -1 1 {} H 0.0 {0.619089 0.391919 0.625398} H2 4042 -1 8 {} O 0.0 {0.616055 0.361286 0.611026} O4 4043 -1 1 {} H 0.0 {0.619322 0.354273 0.605709} H3 4044 -1 8 {} O 0.0 {0.623807 0.379209 0.576825} O5 4045 -1 1 {} H 0.0 {0.304427 0.433151 0.575424} H4 4046 -1 8 {} O 0.0 {0.306185 0.442816 0.575638} O6 4047 -1 1 {} H 0.0 {0.312437 0.444129 0.583104} H5 4048 -1 8 {} O 0.0 {0.308363 0.368936 0.566126} O7 4049 -1 1 {} H 0.0 {0.314115 0.369035 0.574084} H6 4050 -1 8 {} O 0.0 {0.586104 0.37467 0.454163} O1 4051 -1 14 {} Si 0.0 {0.589653 0.359802 0.454037} Si1 4052 -1 14 {} Si 0.0 {0.58713 0.39049 0.452698} Si2 4053 -1 8 {} O 0.0 {0.586092 0.393319 0.437621} O2 4054 -1 1 {} H 0.0 {0.582256 0.402555 0.435789} H1 4055 -1 8 {} O 0.0 {0.601069 0.396753 0.455303} O3 4056 -1 1 {} H 0.0 {0.600092 0.406792 0.457383} H2 4057 -1 8 {} O 0.0 {0.575239 0.398935 0.458969} O4 4058 -1 1 {} H 0.0 {0.566901 0.394855 0.458215} H3 4059 -1 8 {} O 0.0 {0.597012 0.358091 0.46732} O5 4060 -1 1 {} H 0.0 {0.59375 0.362567 0.474663} H4 4061 -1 8 {} O 0.0 {0.576628 0.350675 0.454756} O6 4062 -1 1 {} H 0.0 {0.569211 0.356217 0.450708} H5 4063 -1 8 {} O 0.0 {0.596095 0.356327 0.440396} O7 4064 -1 1 {} H 0.0 {0.589761 0.352294 0.434173} H6 4065 -1 8 {} O 0.0 {0.464047 0.418975 0.66434} O1 4066 -1 14 {} Si 0.0 {0.458863 0.433091 0.661441} Si1 4067 -1 14 {} Si 0.0 {0.464816 0.403487 0.663931} Si2 4068 -1 8 {} O 0.0 {0.463138 0.397329 0.648856} O2 4069 -1 1 {} H 0.0 {0.472449 0.395353 0.645893} H1 4070 -1 8 {} O 0.0 {0.454633 0.396657 0.673088} O3 4071 -1 1 {} H 0.0 {0.458917 0.39128 0.680379} H2 4072 -1 8 {} O 0.0 {0.478223 0.397246 0.6687} O4 4073 -1 1 {} H 0.0 {0.476836 0.38782 0.672457} H3 4074 -1 8 {} O 0.0 {0.467935 0.443523 0.66791} O5 4075 -1 1 {} H 0.0 {0.476481 0.442996 0.663823} H4 4076 -1 8 {} O 0.0 {0.456171 0.435951 0.646608} O6 4077 -1 1 {} H 0.0 {0.447409 0.43219 0.644063} H5 4078 -1 8 {} O 0.0 {0.443795 0.433539 0.667234} O7 4079 -1 1 {} H 0.0 {0.440548 0.44273 0.665488} H6 4080 -1 8 {} O 0.0 {0.323314 0.551678 0.46469} O1 4081 -1 14 {} Si 0.0 {0.320142 0.559189 0.478602} Si1 4082 -1 14 {} Si 0.0 {0.320065 0.546633 0.450762} Si2 4083 -1 8 {} O 0.0 {0.331023 0.537295 0.444688} O2 4084 -1 1 {} H 0.0 {0.338508 0.537009 0.451447} H1 4085 -1 8 {} O 0.0 {0.315891 0.557237 0.440642} O3 4086 -1 1 {} H 0.0 {0.307003 0.561695 0.443754} H2 4087 -1 8 {} O 0.0 {0.307862 0.537025 0.454086} O4 4088 -1 1 {} H 0.0 {0.310428 0.528051 0.451108} H3 4089 -1 8 {} O 0.0 {0.30808 0.569195 0.47959} O5 4090 -1 1 {} H 0.0 {0.299944 0.563689 0.48234} H4 4091 -1 8 {} O 0.0 {0.31843 0.547108 0.488695} O6 4092 -1 1 {} H 0.0 {0.323459 0.5489 0.497038} H5 4093 -1 8 {} O 0.0 {0.333665 0.56539 0.482746} O7 4094 -1 1 {} H 0.0 {0.33341 0.477761 0.391102} H6 4095 -1 8 {} O 0.0 {0.445115 0.611959 0.375317} O1 4096 -1 14 {} Si 0.0 {0.439383 0.615722 0.361339} Si1 4097 -1 14 {} Si 0.0 {0.447423 0.609545 0.390717} Si2 4098 -1 8 {} O 0.0 {0.438333 0.617381 0.40067} O2 4099 -1 1 {} H 0.0 {0.437307 0.611221 0.408401} H1 4100 -1 8 {} O 0.0 {0.461301 0.615586 0.39293} O3 4101 -1 1 {} H 0.0 {0.466646 0.617161 0.384644} H2 4102 -1 8 {} O 0.0 {0.445725 0.594486 0.395015} O4 4103 -1 1 {} H 0.0 {0.45457 0.590559 0.395838} H3 4104 -1 8 {} O 0.0 {0.443556 0.603674 0.352188} O5 4105 -1 1 {} H 0.0 {0.449724 0.59771 0.357439} H4 4106 -1 8 {} O 0.0 {0.417852 0.619829 0.361852} O6 4107 -1 1 {} H 0.0 {0.417243 0.629144 0.365136} H5 4108 -1 8 {} O 0.0 {0.446652 0.626264 0.355904} O7 4109 -1 1 {} H 0.0 {0.4561 0.610264 0.338436} H6 4110 -1 8 {} O 0.0 {0.28963 0.622405 0.642965} O1 4111 -1 14 {} Si 0.0 {0.289094 0.610073 0.652377} Si1 4112 -1 14 {} Si 0.0 {0.291788 0.632711 0.631207} Si2 4113 -1 8 {} O 0.0 {0.613437 0.698254 0.606765} O2 4114 -1 1 {} H 0.0 {0.60482 0.699646 0.611128} H1 4115 -1 8 {} O 0.0 {0.303303 0.642157 0.635619} O3 4116 -1 1 {} H 0.0 {0.291406 0.541895 0.585114} H2 4117 -1 8 {} O 0.0 {0.668074 0.455216 0.608713} O4 4118 -1 1 {} H 0.0 {0.669458 0.455229 0.618293} H3 4119 -1 8 {} O 0.0 {0.29709 0.596786 0.649613} O5 4120 -1 1 {} H 0.0 {0.293281 0.591084 0.642661} H4 4121 -1 8 {} O 0.0 {0.29402 0.616616 0.66581} O6 4122 -1 1 {} H 0.0 {0.300537 0.623597 0.663012} H5 4123 -1 8 {} O 0.0 {0.274173 0.607489 0.656467} O7 4124 -1 1 {} H 0.0 {0.271309 0.611912 0.664604} H6 4125 -1 8 {} O 0.0 {0.365063 0.595312 0.630775} O1 4126 -1 14 {} Si 0.0 {0.369538 0.595417 0.645909} Si1 4127 -1 14 {} Si 0.0 {0.359034 0.599761 0.617442} Si2 4128 -1 8 {} O 0.0 {0.363377 0.619866 0.616053} O2 4129 -1 1 {} H 0.0 {0.421498 0.618218 0.622367} H1 4130 -1 8 {} O 0.0 {0.344481 0.595586 0.620923} O3 4131 -1 1 {} H 0.0 {0.398548 0.646718 0.599549} H2 4132 -1 8 {} O 0.0 {0.362899 0.590803 0.606115} O4 4133 -1 1 {} H 0.0 {0.368719 0.583584 0.608817} H3 4134 -1 8 {} O 0.0 {0.360751 0.604995 0.65466} O5 4135 -1 1 {} H 0.0 {0.35544 0.599471 0.660502} H4 4136 -1 8 {} O 0.0 {0.36914 0.581387 0.652537} O6 4137 -1 1 {} H 0.0 {0.369847 0.573504 0.645854} H5 4138 -1 8 {} O 0.0 {0.384072 0.601058 0.645169} O7 4139 -1 1 {} H 0.0 {0.390015 0.593748 0.643233} H6 4140 -1 8 {} O 0.0 {0.527573 0.334349 0.383466} O1 4141 -1 14 {} Si 0.0 {0.518482 0.32966 0.395252} Si1 4142 -1 14 {} Si 0.0 {0.537016 0.331041 0.371253} Si2 4143 -1 8 {} O 0.0 {0.545059 0.318566 0.377054} O2 4144 -1 1 {} H 0.0 {0.539882 0.315781 0.38471} H1 4145 -1 8 {} O 0.0 {0.546988 0.343305 0.370296} O3 4146 -1 1 {} H 0.0 {0.555429 0.339999 0.372769} H2 4147 -1 8 {} O 0.0 {0.53 0.327929 0.357769} O4 4148 -1 1 {} H 0.0 {0.570325 0.385068 0.372957} H3 4149 -1 8 {} O 0.0 {0.504391 0.327063 0.38911} O5 4150 -1 1 {} H 0.0 {0.50287 0.331962 0.380758} H4 4151 -1 8 {} O 0.0 {0.524871 0.317791 0.402998} O6 4152 -1 1 {} H 0.0 {0.523212 0.318951 0.41261} H5 4153 -1 8 {} O 0.0 {0.51588 0.340115 0.406623} O7 4154 -1 1 {} H 0.0 {0.50696 0.337448 0.410993} H6 4155 -1 8 {} O 0.0 {0.560516 0.600631 0.61511} O1 4156 -1 14 {} Si 0.0 {0.57217 0.605261 0.624419} Si1 4157 -1 14 {} Si 0.0 {0.553 0.591834 0.604533} Si2 4158 -1 8 {} O 0.0 {0.541713 0.599558 0.597144} O2 4159 -1 1 {} H 0.0 {0.536896 0.605505 0.602794} H1 4160 -1 8 {} O 0.0 {0.548581 0.57876 0.612174} O3 4161 -1 1 {} H 0.0 {0.568447 0.575745 0.569144} H2 4162 -1 8 {} O 0.0 {0.564461 0.587201 0.595481} O4 4163 -1 1 {} H 0.0 {0.577852 0.570801 0.596529} H3 4164 -1 8 {} O 0.0 {0.580081 0.618202 0.618907} O5 4165 -1 1 {} H 0.0 {0.528382 0.626743 0.615329} H4 4166 -1 8 {} O 0.0 {0.566495 0.609901 0.637873} O6 4167 -1 1 {} H 0.0 {0.573345 0.609922 0.646824} H5 4168 -1 8 {} O 0.0 {0.581971 0.59354 0.627484} O7 4169 -1 1 {} H 0.0 {0.602783 0.663065 0.607239} H6 4170 -1 8 {} O 0.0 {0.433721 0.383392 0.550273} O1 4171 -1 14 {} Si 0.0 {0.444692 0.389503 0.542072} Si1 4172 -1 14 {} Si 0.0 {0.44202 0.375863 0.514763} Si2 4173 -1 8 {} O 0.0 {0.37441 0.410187 0.5211} O2 4174 -1 1 {} H 0.0 {0.373335 0.418867 0.524637} H1 4175 -1 8 {} O 0.0 {0.43206 0.364568 0.518434} O3 4176 -1 1 {} H 0.0 {0.435772 0.355553 0.518933} H2 4177 -1 8 {} O 0.0 {0.434224 0.386599 0.506304} O4 4178 -1 1 {} H 0.0 {0.424971 0.383568 0.505178} H3 4179 -1 8 {} O 0.0 {0.39243 0.364492 0.530448} O5 4180 -1 1 {} H 0.0 {0.398485 0.369119 0.536463} H4 4181 -1 8 {} O 0.0 {0.458451 0.387639 0.548674} O6 4182 -1 1 {} H 0.0 {0.465702 0.389144 0.542378} H5 4183 -1 8 {} O 0.0 {0.442616 0.405267 0.542836} O7 4184 -1 1 {} H 0.0 {0.443036 0.407843 0.552384} H6 4185 -1 8 {} O 0.0 {0.609805 0.377173 0.689095} O1 4186 -1 14 {} Si 0.0 {0.597053 0.367546 0.685885} Si1 4187 -1 14 {} Si 0.0 {0.603615 0.399222 0.696253} Si2 4188 -1 8 {} O 0.0 {0.599084 0.406699 0.682811} O2 4189 -1 1 {} H 0.0 {0.605572 0.408672 0.675592} H1 4190 -1 8 {} O 0.0 {0.610995 0.410042 0.700571} O3 4191 -1 1 {} H 0.0 {0.541424 0.450374 0.680057} H2 4192 -1 8 {} O 0.0 {0.590831 0.398135 0.705288} O4 4193 -1 1 {} H 0.0 {0.581906 0.399785 0.701171} H3 4194 -1 8 {} O 0.0 {0.59008 0.372096 0.673245} O5 4195 -1 1 {} H 0.0 {0.595049 0.374544 0.66532} H4 4196 -1 8 {} O 0.0 {0.519437 0.394356 0.313173} O6 4197 -1 1 {} H 0.0 {0.528821 0.378524 0.689275} H5 4198 -1 8 {} O 0.0 {0.587194 0.365696 0.698227} O7 4199 -1 1 {} H 0.0 {0.588351 0.372484 0.70516} H6 4200 -1 8 {} O 0.0 {0.504965 0.525198 0.376117} O1 4201 -1 14 {} Si 0.0 {0.506309 0.524432 0.392068} Si1 4202 -1 14 {} Si 0.0 {0.497319 0.527214 0.362838} Si2 4203 -1 8 {} O 0.0 {0.505203 0.531969 0.349881} O2 4204 -1 1 {} H 0.0 {0.51471 0.535025 0.352883} H1 4205 -1 8 {} O 0.0 {0.489783 0.541143 0.363379} O3 4206 -1 1 {} H 0.0 {0.481838 0.541432 0.358053} H2 4207 -1 8 {} O 0.0 {0.486512 0.516636 0.359162} O4 4208 -1 1 {} H 0.0 {0.480002 0.51693 0.365951} H3 4209 -1 8 {} O 0.0 {0.520493 0.519223 0.396016} O5 4210 -1 1 {} H 0.0 {0.522996 0.511845 0.390252} H4 4211 -1 8 {} O 0.0 {0.505556 0.538969 0.397965} O6 4212 -1 1 {} H 0.0 {0.498444 0.544082 0.393327} H5 4213 -1 8 {} O 0.0 {0.496786 0.514536 0.399085} O7 4214 -1 1 {} H 0.0 {0.493642 0.517545 0.408227} H6 4215 -1 8 {} O 0.0 {0.321757 0.609094 0.485372} O1 4216 -1 14 {} Si 0.0 {0.323574 0.613211 0.500841} Si1 4217 -1 14 {} Si 0.0 {0.325238 0.637397 0.458368} Si2 4218 -1 8 {} O 0.0 {0.324933 0.647549 0.470864} O2 4219 -1 1 {} H 0.0 {0.330927 0.654708 0.468412} H1 4220 -1 8 {} O 0.0 {0.311305 0.630628 0.457268} O3 4221 -1 1 {} H 0.0 {0.307492 0.633044 0.448343} H2 4222 -1 8 {} O 0.0 {0.336959 0.626705 0.46027} O4 4223 -1 1 {} H 0.0 {0.3364 0.620337 0.453} H3 4224 -1 8 {} O 0.0 {0.30984 0.612646 0.508294} O5 4225 -1 1 {} H 0.0 {0.306041 0.65078 0.514281} H4 4226 -1 8 {} O 0.0 {0.335735 0.60542 0.505958} O6 4227 -1 1 {} H 0.0 {0.344538 0.60556 0.501707} H5 4228 -1 8 {} O 0.0 {0.32885 0.627632 0.502806} O7 4229 -1 1 {} H 0.0 {0.336072 0.630162 0.508525} H6 4230 -1 8 {} O 0.0 {0.331198 0.584747 0.640659} O1 4231 -1 14 {} Si 0.0 {0.330948 0.575699 0.653817} Si1 4232 -1 14 {} Si 0.0 {0.332076 0.588146 0.62568} Si2 4233 -1 8 {} O 0.0 {0.315865 0.59806 0.619669} O2 4234 -1 1 {} H 0.0 {0.31355 0.593875 0.611901} H1 4235 -1 8 {} O 0.0 {0.331645 0.575055 0.617051} O3 4236 -1 1 {} H 0.0 {0.304921 0.629273 0.518491} H2 4237 -1 8 {} O 0.0 {0.290763 0.582419 0.626088} O4 4238 -1 1 {} H 0.0 {0.297766 0.587318 0.621386} H3 4239 -1 8 {} O 0.0 {0.342729 0.582606 0.662072} O5 4240 -1 1 {} H 0.0 {0.351176 0.577869 0.66118} H4 4241 -1 8 {} O 0.0 {0.31634 0.575755 0.658872} O6 4242 -1 1 {} H 0.0 {0.312025 0.584111 0.655988} H5 4243 -1 8 {} O 0.0 {0.33511 0.561195 0.649582} O7 4244 -1 1 {} H 0.0 {0.327478 0.555034 0.649921} H6 4245 -1 8 {} O 0.0 {0.591693 0.671187 0.448206} O1 4246 -1 14 {} Si 0.0 {0.592216 0.664082 0.434415} Si1 4247 -1 14 {} Si 0.0 {0.592475 0.671323 0.463923} Si2 4248 -1 8 {} O 0.0 {0.579551 0.672493 0.472013} O2 4249 -1 1 {} H 0.0 {0.57219 0.671167 0.465807} H1 4250 -1 8 {} O 0.0 {0.601265 0.682209 0.470571} O3 4251 -1 1 {} H 0.0 {0.603408 0.679813 0.47959} H2 4252 -1 8 {} O 0.0 {0.597711 0.657623 0.469499} O4 4253 -1 1 {} H 0.0 {0.590366 0.651182 0.470529} H3 4254 -1 8 {} O 0.0 {0.580301 0.653732 0.438036} O5 4255 -1 1 {} H 0.0 {0.572009 0.656828 0.434715} H4 4256 -1 8 {} O 0.0 {0.591642 0.674024 0.422115} O6 4257 -1 1 {} H 0.0 {0.594176 0.6689 0.41383} H5 4258 -1 8 {} O 0.0 {0.604168 0.653951 0.432695} O7 4259 -1 1 {} H 0.0 {0.600972 0.64523 0.42974} H6 4260 -1 8 {} O 0.0 {0.42719 0.526521 0.498501} O1 4261 -1 14 {} Si 0.0 {0.41435 0.518361 0.50033} Si1 4262 -1 14 {} Si 0.0 {0.43567 0.538085 0.492467} Si2 4263 -1 8 {} O 0.0 {0.449615 0.536931 0.498659} O2 4264 -1 1 {} H 0.0 {0.455329 0.532212 0.492707} H1 4265 -1 8 {} O 0.0 {0.427907 0.550882 0.498528} O3 4266 -1 1 {} H 0.0 {0.427572 0.549742 0.508268} H2 4267 -1 8 {} O 0.0 {0.4376 0.538861 0.476323} O4 4268 -1 1 {} H 0.0 {0.430912 0.544415 0.472675} H3 4269 -1 8 {} O 0.0 {0.413147 0.506282 0.490442} O5 4270 -1 1 {} H 0.0 {0.421672 0.502122 0.490224} H4 4271 -1 8 {} O 0.0 {0.412371 0.510313 0.513423} O6 4272 -1 1 {} H 0.0 {0.404113 0.512421 0.516932} H5 4273 -1 8 {} O 0.0 {0.402459 0.528478 0.499578} O7 4274 -1 1 {} H 0.0 {0.399377 0.528742 0.490466} H6 4275 -1 8 {} O 0.0 {0.465166 0.305688 0.484882} O1 4276 -1 14 {} Si 0.0 {0.475343 0.31338 0.494206} Si1 4277 -1 14 {} Si 0.0 {0.458657 0.296096 0.474731} Si2 4278 -1 8 {} O 0.0 {0.455905 0.30445 0.461224} O2 4279 -1 1 {} H 0.0 {0.463242 0.305815 0.455638} H1 4280 -1 8 {} O 0.0 {0.446455 0.289893 0.481933} O3 4281 -1 1 {} H 0.0 {0.439369 0.296101 0.482026} H2 4282 -1 8 {} O 0.0 {0.46872 0.284041 0.471744} O4 4283 -1 1 {} H 0.0 {0.465856 0.276192 0.476625} H3 4284 -1 8 {} O 0.0 {0.470466 0.312731 0.509081} O5 4285 -1 1 {} H 0.0 {0.476581 0.308942 0.515181} H4 4286 -1 8 {} O 0.0 {0.491149 0.307529 0.494116} O6 4287 -1 1 {} H 0.0 {0.492456 0.300901 0.486896} H5 4288 -1 8 {} O 0.0 {0.475856 0.32859 0.488892} O7 4289 -1 1 {} H 0.0 {0.450906 0.315441 0.507619} H6 4290 -1 8 {} O 0.0 {0.501372 0.659017 0.500105} O1 4291 -1 14 {} Si 0.0 {0.511399 0.648468 0.494263} Si1 4292 -1 14 {} Si 0.0 {0.497056 0.673089 0.504445} Si2 4293 -1 8 {} O 0.0 {0.506294 0.68403 0.499654} O2 4294 -1 1 {} H 0.0 {0.503929 0.692063 0.504171} H1 4295 -1 8 {} O 0.0 {0.495945 0.675047 0.520029} O3 4296 -1 1 {} H 0.0 {0.489503 0.669185 0.523513} H2 4297 -1 8 {} O 0.0 {0.482403 0.675302 0.499838} O4 4298 -1 1 {} H 0.0 {0.480528 0.668891 0.49264} H3 4299 -1 8 {} O 0.0 {0.50405 0.634825 0.495444} O5 4300 -1 1 {} H 0.0 {0.49553 0.63578 0.499584} H4 4301 -1 8 {} O 0.0 {0.517981 0.651294 0.480416} O6 4302 -1 1 {} H 0.0 {0.512028 0.649649 0.473137} H5 4303 -1 8 {} O 0.0 {0.521744 0.648022 0.505596} O7 4304 -1 1 {} H 0.0 {0.480455 0.6415 0.555599} H6 4305 -1 8 {} O 0.0 {0.344607 0.431703 0.561052} O1 4306 -1 14 {} Si 0.0 {0.351282 0.420802 0.571034} Si1 4307 -1 14 {} Si 0.0 {0.337133 0.445194 0.556447} Si2 4308 -1 8 {} O 0.0 {0.344685 0.449528 0.543863} O2 4309 -1 1 {} H 0.0 {0.353233 0.444881 0.541633} H1 4310 -1 8 {} O 0.0 {0.337969 0.457124 0.566126} O3 4311 -1 1 {} H 0.0 {0.33676 0.454274 0.577682} H2 4312 -1 8 {} O 0.0 {0.322008 0.443219 0.555085} O4 4313 -1 1 {} H 0.0 {0.316495 0.445488 0.564481} H3 4314 -1 8 {} O 0.0 {0.341748 0.408092 0.570888} O5 4315 -1 1 {} H 0.0 {0.490222 0.4562 0.549724} H4 4316 -1 8 {} O 0.0 {0.36617 0.418514 0.566528} O6 4317 -1 1 {} H 0.0 {0.373895 0.41784 0.57245} H5 4318 -1 8 {} O 0.0 {0.351811 0.427317 0.585297} O7 4319 -1 1 {} H 0.0 {0.33021 0.431522 0.60394} H6 4320 -1 8 {} O 0.0 {0.461581 0.592886 0.591139} O1 4321 -1 14 {} Si 0.0 {0.473808 0.602224 0.587329} Si1 4322 -1 14 {} Si 0.0 {0.447545 0.586785 0.593044} Si2 4323 -1 8 {} O 0.0 {0.448952 0.570867 0.593343} O2 4324 -1 1 {} H 0.0 {0.456393 0.56825 0.599669} H1 4325 -1 8 {} O 0.0 {0.435655 0.591964 0.583078} O3 4326 -1 1 {} H 0.0 {0.427163 0.590427 0.587616} H2 4327 -1 8 {} O 0.0 {0.444301 0.592756 0.606853} O4 4328 -1 1 {} H 0.0 {0.445807 0.601738 0.607268} H3 4329 -1 8 {} O 0.0 {0.469448 0.617455 0.588573} O5 4330 -1 1 {} H 0.0 {0.464915 0.619476 0.596741} H4 4331 -1 8 {} O 0.0 {0.485705 0.600012 0.596604} O6 4332 -1 1 {} H 0.0 {0.450439 0.559373 0.578328} H5 4333 -1 8 {} O 0.0 {0.478751 0.597675 0.573053} O7 4334 -1 1 {} H 0.0 {0.473357 0.590258 0.569791} H6 4335 -1 8 {} O 0.0 {0.531576 0.34612 0.545743} O1 4336 -1 14 {} Si 0.0 {0.546111 0.348819 0.540904} Si1 4337 -1 14 {} Si 0.0 {0.498076 0.351662 0.522896} Si2 4338 -1 8 {} O 0.0 {0.482879 0.346114 0.52377} O2 4339 -1 1 {} H 0.0 {0.478359 0.348602 0.515995} H1 4340 -1 8 {} O 0.0 {0.50453 0.34641 0.509609} O3 4341 -1 1 {} H 0.0 {0.506502 0.336744 0.510563} H2 4342 -1 8 {} O 0.0 {0.498466 0.367425 0.523613} O4 4343 -1 1 {} H 0.0 {0.531298 0.444112 0.568311} H3 4344 -1 8 {} O 0.0 {0.548223 0.359219 0.530393} O5 4345 -1 1 {} H 0.0 {0.539248 0.36348 0.528557} H4 4346 -1 8 {} O 0.0 {0.554937 0.350009 0.55408} O6 4347 -1 1 {} H 0.0 {0.550555 0.346144 0.561892} H5 4348 -1 8 {} O 0.0 {0.548912 0.335581 0.533871} O7 4349 -1 1 {} H 0.0 {0.547063 0.336263 0.523974} H6 4350 -1 8 {} O 0.0 {0.404849 0.272986 0.621061} O1 4351 -1 14 {} Si 0.0 {0.421103 0.284916 0.623007} Si1 4352 -1 14 {} Si 0.0 {0.396902 0.286173 0.622233} Si2 4353 -1 8 {} O 0.0 {0.405646 0.289247 0.635496} O2 4354 -1 1 {} H 0.0 {0.420496 0.346747 0.608545} H1 4355 -1 8 {} O 0.0 {0.465967 0.66072 0.582904} O3 4356 -1 1 {} H 0.0 {0.432152 0.681455 0.550194} H2 4357 -1 8 {} O 0.0 {0.414831 0.28615 0.60926} O4 4358 -1 1 {} H 0.0 {0.37135 0.302859 0.62246} H3 4359 -1 8 {} O 0.0 {0.324482 0.675669 0.603028} O5 4360 -1 1 {} H 0.0 {0.327547 0.667334 0.599408} H4 4361 -1 8 {} O 0.0 {0.433198 0.691344 0.548715} O6 4362 -1 1 {} H 0.0 {0.433605 0.694782 0.557947} H5 4363 -1 8 {} O 0.0 {0.415065 0.299906 0.62242} O7 4364 -1 1 {} H 0.0 {0.382579 0.34868 0.595388} H6 4365 -1 8 {} O 0.0 {0.533265 0.56972 0.67699} O1 4366 -1 14 {} Si 0.0 {0.533277 0.584731 0.671551} Si1 4367 -1 14 {} Si 0.0 {0.534302 0.55612 0.683987} Si2 4368 -1 8 {} O 0.0 {0.548634 0.551282 0.686494} O2 4369 -1 1 {} H 0.0 {0.555341 0.558152 0.684007} H1 4370 -1 8 {} O 0.0 {0.527098 0.545715 0.674311} O3 4371 -1 1 {} H 0.0 {0.526863 0.549489 0.66474} H2 4372 -1 8 {} O 0.0 {0.525227 0.556742 0.696758} O4 4373 -1 1 {} H 0.0 {0.522246 0.56559 0.698734} H3 4374 -1 8 {} O 0.0 {0.546777 0.590589 0.675438} O5 4375 -1 1 {} H 0.0 {0.557198 0.602063 0.676072} H4 4376 -1 8 {} O 0.0 {0.537368 0.585014 0.656484} O6 4377 -1 1 {} H 0.0 {0.524534 0.545904 0.645526} H5 4378 -1 8 {} O 0.0 {0.52248 0.59581 0.676164} O7 4379 -1 1 {} H 0.0 {0.539835 0.657079 0.65736} H6 4380 -1 8 {} O 0.0 {0.266696 0.57266 0.530567} O1 4381 -1 14 {} Si 0.0 {0.269473 0.579845 0.543986} Si1 4382 -1 14 {} Si 0.0 {0.266195 0.569675 0.515461} Si2 4383 -1 8 {} O 0.0 {0.273995 0.581782 0.508738} O2 4384 -1 1 {} H 0.0 {0.28242 0.583805 0.513173} H1 4385 -1 8 {} O 0.0 {0.251471 0.567175 0.510933} O3 4386 -1 1 {} H 0.0 {0.314837 0.669811 0.493526} H2 4387 -1 8 {} O 0.0 {0.27561 0.558102 0.512266} O4 4388 -1 1 {} H 0.0 {0.279854 0.555901 0.520876} H3 4389 -1 8 {} O 0.0 {0.255851 0.586593 0.548092} O5 4390 -1 1 {} H 0.0 {0.252877 0.585149 0.55629} H4 4391 -1 8 {} O 0.0 {0.273478 0.569736 0.555443} O6 4392 -1 1 {} H 0.0 {0.283072 0.618128 0.498489} H5 4393 -1 8 {} O 0.0 {0.280678 0.591858 0.544051} O7 4394 -1 1 {} H 0.0 {0.302133 0.612377 0.501262} H6 4395 -1 8 {} O 0.0 {0.573151 0.317848 0.660884} O1 4396 -1 14 {} Si 0.0 {0.57517 0.332769 0.666111} Si1 4397 -1 14 {} Si 0.0 {0.56778 0.306438 0.65148} Si2 4398 -1 8 {} O 0.0 {0.575181 0.311943 0.638596} O2 4399 -1 1 {} H 0.0 {0.570083 0.318342 0.634293} H1 4400 -1 8 {} O 0.0 {0.552384 0.306552 0.650059} O3 4401 -1 1 {} H 0.0 {0.549622 0.297617 0.646426} H2 4402 -1 8 {} O 0.0 {0.573219 0.292527 0.65673} O4 4403 -1 1 {} H 0.0 {0.579683 0.294149 0.664043} H3 4404 -1 8 {} O 0.0 {0.561582 0.340563 0.663013} O5 4405 -1 1 {} H 0.0 {0.562197 0.35007 0.660001} H4 4406 -1 8 {} O 0.0 {0.579258 0.336367 0.680532} O6 4407 -1 1 {} H 0.0 {0.571877 0.34077 0.686408} H5 4408 -1 8 {} O 0.0 {0.586074 0.337934 0.655293} O7 4409 -1 1 {} H 0.0 {0.593928 0.331249 0.654005} H6 4410 -1 8 {} O 0.0 {0.615081 0.561715 0.512476} O1 4411 -1 14 {} Si 0.0 {0.606784 0.574315 0.508511} Si1 4412 -1 14 {} Si 0.0 {0.626126 0.550596 0.511772} Si2 4413 -1 8 {} O 0.0 {0.636535 0.551891 0.499851} O2 4414 -1 1 {} H 0.0 {0.666475 0.538475 0.632626} H1 4415 -1 8 {} O 0.0 {0.619103 0.53798 0.506636} O3 4416 -1 1 {} H 0.0 {0.612593 0.539636 0.499622} H2 4417 -1 8 {} O 0.0 {0.634359 0.55107 0.525468} O4 4418 -1 1 {} H 0.0 {0.635745 0.54196 0.528704} H3 4419 -1 8 {} O 0.0 {0.592527 0.569151 0.510234} O5 4420 -1 1 {} H 0.0 {0.590034 0.562139 0.504285} H4 4421 -1 8 {} O 0.0 {0.611038 0.585424 0.519074} O6 4422 -1 1 {} H 0.0 {0.617426 0.592103 0.514901} H5 4423 -1 8 {} O 0.0 {0.607199 0.577788 0.493573} O7 4424 -1 1 {} H 0.0 {0.603374 0.580918 0.485244} H6 4425 -1 8 {} O 0.0 {0.406008 0.63667 0.626225} O1 4426 -1 14 {} Si 0.0 {0.395992 0.638459 0.638326} Si1 4427 -1 14 {} Si 0.0 {0.411121 0.633441 0.612485} Si2 4428 -1 8 {} O 0.0 {0.423267 0.643205 0.609952} O2 4429 -1 1 {} H 0.0 {0.423692 0.649575 0.617036} H1 4430 -1 8 {} O 0.0 {0.399377 0.63653 0.602481} O3 4431 -1 1 {} H 0.0 {0.369606 0.708915 0.607137} H2 4432 -1 8 {} O 0.0 {0.418555 0.620015 0.613258} O4 4433 -1 1 {} H 0.0 {0.409132 0.552306 0.624379} H3 4434 -1 8 {} O 0.0 {0.397608 0.651221 0.646708} O5 4435 -1 1 {} H 0.0 {0.401869 0.648943 0.655238} H4 4436 -1 8 {} O 0.0 {0.381455 0.635354 0.634249} O6 4437 -1 1 {} H 0.0 {0.356467 0.624015 0.609487} H5 4438 -1 8 {} O 0.0 {0.400302 0.626267 0.647761} O7 4439 -1 1 {} H 0.0 {0.39406 0.619465 0.647327} H6 4440 -1 8 {} O 0.0 {0.433335 0.485629 0.665894} O1 4441 -1 14 {} Si 0.0 {0.443852 0.474196 0.663695} Si1 4442 -1 14 {} Si 0.0 {0.425229 0.498297 0.662824} Si2 4443 -1 8 {} O 0.0 {0.43302 0.509036 0.669997} O2 4444 -1 1 {} H 0.0 {0.426736 0.516908 0.682845} H1 4445 -1 8 {} O 0.0 {0.410732 0.499584 0.66702} O3 4446 -1 1 {} H 0.0 {0.425488 0.46371 0.660708} H2 4447 -1 8 {} O 0.0 {0.426386 0.501386 0.647175} O4 4448 -1 1 {} H 0.0 {0.430575 0.510123 0.643538} H3 4449 -1 8 {} O 0.0 {0.435092 0.460593 0.66119} O5 4450 -1 1 {} H 0.0 {0.477835 0.602933 0.646245} H4 4451 -1 8 {} O 0.0 {0.452903 0.475764 0.651326} O6 4452 -1 1 {} H 0.0 {0.454228 0.48519 0.649734} H5 4453 -1 8 {} O 0.0 {0.453504 0.472604 0.675794} O7 4454 -1 1 {} H 0.0 {0.460894 0.467325 0.672906} H6 4455 -1 8 {} O 0.0 {0.331644 0.355988 0.499802} O1 4456 -1 14 {} Si 0.0 {0.331753 0.343008 0.491524} Si1 4457 -1 14 {} Si 0.0 {0.333047 0.366724 0.511077} Si2 4458 -1 8 {} O 0.0 {0.326301 0.360485 0.523833} O2 4459 -1 1 {} H 0.0 {0.320526 0.366771 0.527945} H1 4460 -1 8 {} O 0.0 {0.32547 0.379576 0.505409} O3 4461 -1 1 {} H 0.0 {0.331619 0.384513 0.500099} H2 4462 -1 8 {} O 0.0 {0.347855 0.370844 0.51151} O4 4463 -1 1 {} H 0.0 {0.368692 0.313918 0.570918} H3 4464 -1 8 {} O 0.0 {0.648269 0.341239 0.529817} O5 4465 -1 1 {} H 0.0 {0.646084 0.350569 0.53078} H4 4466 -1 8 {} O 0.0 {0.336372 0.345404 0.476224} O6 4467 -1 1 {} H 0.0 {0.3625 0.373877 0.448649} H5 4468 -1 8 {} O 0.0 {0.340136 0.333236 0.496489} O7 4469 -1 1 {} H 0.0 {0.36668 0.34008 0.464147} H6 4470 -1 8 {} O 0.0 {0.507528 0.510178 0.634687} O1 4471 -1 14 {} Si 0.0 {0.499281 0.498354 0.639336} Si1 4472 -1 14 {} Si 0.0 {0.51511 0.524437 0.633816} Si2 4473 -1 8 {} O 0.0 {0.507853 0.534317 0.642554} O2 4474 -1 1 {} H 0.0 {0.500853 0.529362 0.648221} H1 4475 -1 8 {} O 0.0 {0.515404 0.529573 0.619207} O3 4476 -1 1 {} H 0.0 {0.461402 0.458904 0.634627} H2 4477 -1 8 {} O 0.0 {0.528392 0.522359 0.641586} O4 4478 -1 1 {} H 0.0 {0.528781 0.51409 0.647273} H3 4479 -1 8 {} O 0.0 {0.486132 0.498451 0.629472} O5 4480 -1 1 {} H 0.0 {0.487948 0.493436 0.62114} H4 4481 -1 8 {} O 0.0 {0.505515 0.483362 0.6387} O6 4482 -1 1 {} H 0.0 {0.510857 0.482078 0.630383} H5 4483 -1 8 {} O 0.0 {0.494581 0.501553 0.653257} O7 4484 -1 1 {} H 0.0 {0.491832 0.511658 0.65684} H6 4485 -1 8 {} O 0.0 {0.413288 0.332251 0.474204} O1 4486 -1 14 {} Si 0.0 {0.428396 0.327838 0.473785} Si1 4487 -1 14 {} Si 0.0 {0.399774 0.339025 0.47924} Si2 4488 -1 8 {} O 0.0 {0.394053 0.348547 0.466526} O2 4489 -1 1 {} H 0.0 {0.394828 0.343826 0.457654} H1 4490 -1 8 {} O 0.0 {0.403322 0.34776 0.491589} O3 4491 -1 1 {} H 0.0 {0.402404 0.343607 0.500463} H2 4492 -1 8 {} O 0.0 {0.389544 0.328304 0.484799} O4 4493 -1 1 {} H 0.0 {0.392868 0.323628 0.493091} H3 4494 -1 8 {} O 0.0 {0.430333 0.315556 0.484502} O5 4495 -1 1 {} H 0.0 {0.434822 0.318744 0.492195} H4 4496 -1 8 {} O 0.0 {0.431735 0.32158 0.45893} O6 4497 -1 1 {} H 0.0 {0.438716 0.31526 0.458568} H5 4498 -1 8 {} O 0.0 {0.437159 0.340027 0.477715} O7 4499 -1 1 {} H 0.0 {0.434666 0.347712 0.472459} 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 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4496 4486 {0 0 0} 0 4197 4497 4496 {0 0 0} 0 4198 4498 4486 {0 0 0} 0 4199 4499 4498 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end}} } Namespace { ::thread { } } Namespace { ::tsv { } } Namespace { ::tpool { } } Namespace { ::chemistry { } } 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 ? {} {} {} {}}} } } }