job.id 432 job.name {3D Si_4OH cubic init velocity-NVT 0.2.fs, 500} job.description { } job.status finished job.submitted {2024-12-31 23:35:05} job.started {2024-12-31 23:35:06} job.finished {2025-01-01 00:56:19} job.queue 4 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 $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14 MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14 Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c out}} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7 Options {-zerorotation 0 -autorandom 0 -randomseed 72489 -temperature {$T} -zerotranslation 1 -ff ::fF0 -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298 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 {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1 out} in,anchor n} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb Options {-finaltemperature {$T} -trajectorysampling {0 frames} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {100 ps} -temperaturecontrol Nose-Hoover -dpd_seed 1234567 -initialtemperature {$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-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298,md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7 1 md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1,md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298 1 md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7,md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-60556790-504c-4dc0-82b5-7ce708451b34 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-60556790-504c-4dc0-82b5-7ce708451b34 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1} } md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5 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-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298} } md-flowchart-rectangle-851c8dff-fe47-4a8f-8a13-871dbb7171a3 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-851c8dff-fe47-4a8f-8a13-871dbb7171a3 Options {-height 120 -selected 0 -description {Temp: $T Time: 100 ps Step: $tstep Control: Nose-Hoover Sampling: 10000 samples Trajectory: 0 frames} -fill LightBlue -x 105 -width 160 -y 407 -title NVT -stage md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb} } md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48 Options {-height 120 -selected 0 -description {Initial velocities for $T No net translation Random seed: 72489} -fill LightBlue -x 110 -width 160 -y 234 -title velocities -stage md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7} } } Connections { md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48,md-flowchart-rectangle-851c8dff-fe47-4a8f-8a13-871dbb7171a3 66 md-flowchart-circle1-60556790-504c-4dc0-82b5-7ce708451b34,md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5 70 md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5,md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48 76 } } } } md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2 Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c,md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14 1 md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2,md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-7bfcbc62-f151-4f41-b41f-7a4d7e82f785 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-7bfcbc62-f151-4f41-b41f-7a4d7e82f785 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2} } md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe 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-39f92d30-7571-49da-b5df-e1c665e1fc8c} } md-flowchart-rectangle-16534dfe-dac8-4b1e-9a37-0df3e21552ed ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-16534dfe-dac8-4b1e-9a37-0df3e21552ed Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 112 -width 160 -y 245 -title LAMMPS -stage md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14} } } Connections { md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe,md-flowchart-rectangle-16534dfe-dac8-4b1e-9a37-0df3e21552ed 56 md-flowchart-circle1-7bfcbc62-f151-4f41-b41f-7a4d7e82f785,md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe 60 } } } 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(Si_4OH) @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 14 {} Si 0.0 {0.438831472447 0.530711295904 0.668216528921} Si1 1 -1 8 {} O 0.0 {0.421209358387 0.52578781732 0.670104430518} O1 2 -1 1 {} H 0.0 {0.420574702015 0.5174991018 0.676513084546} H1 3 -1 8 {} O 0.0 {0.449324168137 0.515625175741 0.667165680232} O2 4 -1 1 {} H 0.0 {0.459178433256 0.518033098195 0.669862772708} H2 5 -1 8 {} O 0.0 {0.440802297954 0.540642360016 0.652847821431} O3 6 -1 1 {} H 0.0 {0.450924894651 0.543116069848 0.651565083644} H3 7 -1 8 {} O 0.0 {0.443967620424 0.540784599638 0.300472913323} O4 8 -1 1 {} H 0.0 {0.453871012438 0.538427204218 0.303032603814} H4 9 -1 14 {} Si 0.0 {0.614993419961 0.393403084025 0.655890706218} Si1 10 -1 8 {} O 0.0 {0.607080663692 0.408862588176 0.661973189102} O1 11 -1 1 {} H 0.0 {0.608697516137 0.416573819719 0.655035834471} H1 12 -1 8 {} O 0.0 {0.633151815554 0.394273562053 0.658686810865} O2 13 -1 1 {} H 0.0 {0.637445559003 0.384911775771 0.656627282907} H2 14 -1 8 {} O 0.0 {0.608086205211 0.378986295152 0.664993161886} O3 15 -1 1 {} H 0.0 {0.613630210993 0.370388946395 0.662632232855} H3 16 -1 8 {} O 0.0 {0.611666034172 0.39147623929 0.63790241419} O4 17 -1 1 {} H 0.0 {0.619027100618 0.38532232809 0.633634327753} H4 18 -1 14 {} Si 0.0 {0.504511746 0.443813684773 0.363976782264} Si1 19 -1 8 {} O 0.0 {0.49434641448 0.454985365164 0.353464327798} O1 20 -1 1 {} H 0.0 {0.496683579385 0.453353960285 0.343356821057} H1 21 -1 8 {} O 0.0 {0.51907253777 0.437925916143 0.354398729169} O2 22 -1 1 {} H 0.0 {0.527532724965 0.437842371554 0.360621220458} H2 23 -1 8 {} O 0.0 {0.510283231851 0.452949981593 0.378859984574} O3 24 -1 1 {} H 0.0 {0.518436755033 0.447878500963 0.383118382489} H3 25 -1 8 {} O 0.0 {0.494360660224 0.429383998621 0.369198736301} O4 26 -1 1 {} H 0.0 {0.484894770848 0.43271501013 0.372302479815} H4 27 -1 14 {} Si 0.0 {0.382234837677 0.637463600947 0.606334486697} Si1 28 -1 8 {} O 0.0 {0.393464002795 0.628153887211 0.617548179044} O1 29 -1 1 {} H 0.0 {0.396905957855 0.619522004527 0.612660350078} H1 30 -1 8 {} O 0.0 {0.365549652096 0.638678322559 0.613937166128} O2 31 -1 1 {} H 0.0 {0.358563904541 0.633767093531 0.607849083674} H2 32 -1 8 {} O 0.0 {0.38894832419 0.654366850982 0.603599422517} O3 33 -1 1 {} H 0.0 {0.386553966238 0.657542442728 0.593889923395} H3 34 -1 8 {} O 0.0 {0.380973061753 0.628657906627 0.590234695316} O4 35 -1 1 {} H 0.0 {0.378600048195 0.63554011489 0.582680186648} H4 36 -1 14 {} Si 0.0 {0.57860007979 0.354603342501 0.43143762316} Si1 37 -1 8 {} O 0.0 {0.580407102933 0.371559533449 0.43832509496} O1 38 -1 1 {} H 0.0 {0.579597302786 0.371181896346 0.448778796349} H1 39 -1 8 {} O 0.0 {0.574720141562 0.355657718628 0.413474072626} O2 40 -1 1 {} H 0.0 {0.569158523144 0.347227023867 0.410603275594} H2 41 -1 8 {} O 0.0 {0.594319349534 0.345334153773 0.433785245382} O3 42 -1 1 {} H 0.0 {0.592162398669 0.335244490783 0.435723388441} H3 43 -1 8 {} O 0.0 {0.564960845798 0.345867760398 0.440173531601} O4 44 -1 1 {} H 0.0 {0.559388747971 0.340292302349 0.433244973956} H4 45 -1 14 {} Si 0.0 {0.592002252439 0.457210062465 0.496371632491} Si1 46 -1 8 {} O 0.0 {0.594060790884 0.469911705819 0.483305279728} O1 47 -1 1 {} H 0.0 {0.59255734202 0.479451855065 0.487416023724} H1 48 -1 8 {} O 0.0 {0.584194902221 0.44220307374 0.489157090142} O2 49 -1 1 {} H 0.0 {0.580038816741 0.436400369583 0.49685029872} H2 50 -1 8 {} O 0.0 {0.608490232787 0.452871246411 0.503247007019} O3 51 -1 1 {} H 0.0 {0.60727857321 0.448447502765 0.512673321558} H3 52 -1 8 {} O 0.0 {0.58129841067 0.463880634503 0.509765717971} O4 53 -1 1 {} H 0.0 {0.572722863853 0.45790147237 0.510678461221} H4 54 -1 14 {} Si 0.0 {0.541040143511 0.628943717725 0.361200683449} Si1 55 -1 8 {} O 0.0 {0.538435479666 0.644272421576 0.351366871656} O1 56 -1 1 {} H 0.0 {0.531072862986 0.650168056027 0.355977000629} H1 57 -1 8 {} O 0.0 {0.558246939536 0.622939591904 0.358736287479} O2 58 -1 1 {} H 0.0 {0.558034546671 0.612851895472 0.355861462995} H2 59 -1 8 {} O 0.0 {0.538308083776 0.632551746491 0.379033604182} O3 60 -1 1 {} H 0.0 {0.541181460185 0.62423128749 0.384755925834} H3 61 -1 8 {} O 0.0 {0.529180536272 0.616005996682 0.355663359318} O4 62 -1 1 {} H 0.0 {0.51950466924 0.618544641712 0.358856187291} H4 63 -1 14 {} Si 0.0 {0.45066774217 0.688663304438 0.393123340606} Si1 64 -1 8 {} O 0.0 {0.461343770278 0.695438194984 0.379734013231} O1 65 -1 1 {} H 0.0 {0.45775727565 0.692185667672 0.370433075231} H1 66 -1 8 {} O 0.0 {0.45537981098 0.696300355472 0.409224736934} O2 67 -1 1 {} H 0.0 {0.452882687618 0.706487905696 0.409135141594} H2 68 -1 8 {} O 0.0 {0.433068458652 0.692511782261 0.389427517688} O3 69 -1 1 {} H 0.0 {0.427118786365 0.689947843547 0.397689819424} H3 70 -1 8 {} O 0.0 {0.452881103509 0.670385315571 0.394081070827} O4 71 -1 1 {} H 0.0 {0.444900540449 0.666158207205 0.399475263541} H4 72 -1 14 {} Si 0.0 {0.453587642635 0.503707062478 0.400772148352} Si1 73 -1 8 {} O 0.0 {0.43823211064 0.509756805426 0.408908224603} O1 74 -1 1 {} H 0.0 {0.430151392129 0.508779055344 0.402274502912} H1 75 -1 8 {} O 0.0 {0.459598595481 0.516318018365 0.388842364845} O2 76 -1 1 {} H 0.0 {0.469062707317 0.513508645392 0.385274437485} H2 77 -1 8 {} O 0.0 {0.466506674374 0.50070238444 0.413510243297} O3 78 -1 1 {} H 0.0 {0.473394074125 0.508625364896 0.413428432688} H3 79 -1 8 {} O 0.0 {0.450026722281 0.488045580221 0.391814049203} O4 80 -1 1 {} H 0.0 {0.453092230683 0.479903093792 0.397677504124} H4 81 -1 14 {} Si 0.0 {0.327040661007 0.608376575865 0.598152925262} Si1 82 -1 8 {} O 0.0 {0.344341284232 0.603026596889 0.601403154697} O1 83 -1 1 {} H 0.0 {0.347160831324 0.595835070456 0.594295336625} H1 84 -1 8 {} O 0.0 {0.318610173092 0.595844210619 0.587646734468} O2 85 -1 1 {} H 0.0 {0.30907578045 0.59384495585 0.591570042597} H2 86 -1 8 {} O 0.0 {0.318039744746 0.610046325148 0.614111013641} O3 87 -1 1 {} H 0.0 {0.307887261699 0.607795812395 0.612640564872} H3 88 -1 8 {} O 0.0 {0.327169771404 0.624592053711 0.589457791704} O4 89 -1 1 {} H 0.0 {0.336451582616 0.625951823684 0.584745282494} H4 90 -1 14 {} Si 0.0 {0.439583094349 0.329911103541 0.477543927851} Si1 91 -1 8 {} O 0.0 {0.43247775977 0.327287679266 0.460775213998} O1 92 -1 1 {} H 0.0 {0.440261603695 0.325998487881 0.453851405452} H1 93 -1 8 {} O 0.0 {0.457841460266 0.327712848344 0.476892467188} O2 94 -1 1 {} H 0.0 {0.460918754289 0.70397618066 0.484941429118} H2 95 -1 8 {} O 0.0 {0.435643768795 0.34695111866 0.483259291104} O3 96 -1 1 {} H 0.0 {0.443676901005 0.353328894707 0.481017455858} H3 97 -1 8 {} O 0.0 {0.432368923431 0.699962552474 0.489258273677} O4 98 -1 1 {} H 0.0 {0.438422259691 0.699347816536 0.497821812047} H4 99 -1 14 {} Si 0.0 {0.509477656852 0.50991780515 0.60143423486} Si1 100 -1 8 {} O 0.0 {0.508649676449 0.495007254837 0.612180416053} O1 101 -1 1 {} H 0.0 {0.514118643431 0.48721774722 0.607763783904} H1 102 -1 8 {} O 0.0 {0.506578292196 0.505035941753 0.58392964402} O2 103 -1 1 {} H 0.0 {0.501785685087 0.512884221466 0.578869582846} H2 104 -1 8 {} O 0.0 {0.496598007708 0.521969282608 0.606675816961} O3 105 -1 1 {} H 0.0 {0.500643326227 0.528500688238 0.613835827166} H3 106 -1 8 {} O 0.0 {0.52608659202 0.517671751293 0.602957782769} O4 107 -1 1 {} H 0.0 {0.525271837851 0.528008718611 0.601285462623} H4 108 -1 14 {} Si 0.0 {0.468238855838 0.433091839391 0.644007141879} Si1 109 -1 8 {} O 0.0 {0.480754893192 0.445962843472 0.648021337836} O1 110 -1 1 {} H 0.0 {0.480997199956 0.453113493275 0.640339412105} H1 111 -1 8 {} O 0.0 {0.47413827181 0.423030408166 0.629756205698} O2 112 -1 1 {} H 0.0 {0.466319529583 0.416947149469 0.626302278272} H2 113 -1 8 {} O 0.0 {0.465761075555 0.422175952478 0.658616183584} O3 114 -1 1 {} H 0.0 {0.455498674908 0.421383310439 0.66068040587} H3 115 -1 8 {} O 0.0 {0.452329560944 0.441211198288 0.639626906577} O4 116 -1 1 {} H 0.0 {0.445716980359 0.434053178853 0.635744520331} H4 117 -1 14 {} Si 0.0 {0.625725572458 0.339478380621 0.461034151595} Si1 118 -1 8 {} O 0.0 {0.627804584497 0.341137480147 0.44282711076} O1 119 -1 1 {} H 0.0 {0.634618355362 0.333911717608 0.439425878163} H1 120 -1 8 {} O 0.0 {0.641681919439 0.33426684904 0.468573369914} O2 121 -1 1 {} H 0.0 {0.642045913391 0.337507981735 0.478551586961} H2 122 -1 8 {} O 0.0 {0.620586437124 0.355660212309 0.468128870358} O3 123 -1 1 {} H 0.0 {0.613764511487 0.354031952743 0.475942026495} H3 124 -1 8 {} O 0.0 {0.612831632751 0.326845122893 0.464609572732} O4 125 -1 1 {} H 0.0 {0.604953143646 0.331311084004 0.469917988367} H4 126 -1 14 {} Si 0.0 {0.643980434909 0.343029362083 0.578239675216} Si1 127 -1 8 {} O 0.0 {0.633510849473 0.339040702542 0.592840515424} O1 128 -1 1 {} H 0.0 {0.639558089562 0.338357224096 0.601393179904} H1 129 -1 8 {} O 0.0 {0.639413552934 0.332007035105 0.564252776978} O2 130 -1 1 {} H 0.0 {0.646312608806 0.706382704841 0.563649324818} H2 131 -1 8 {} O 0.0 {0.641290605022 0.360572164467 0.573370242632} O3 132 -1 1 {} H 0.0 {0.646680498794 0.362628645978 0.564596930097} H3 133 -1 8 {} O 0.0 {0.661705403889 0.340476095143 0.58248363982} O4 134 -1 1 {} H 0.0 {0.66444349514 0.347080216149 0.590165547494} H4 135 -1 14 {} Si 0.0 {0.563728998983 0.63401802434 0.518441150408} Si1 136 -1 8 {} O 0.0 {0.58189927069 0.631544903545 0.519912098291} O1 137 -1 1 {} H 0.0 {0.586885304268 0.639879148967 0.515923495137} H1 138 -1 8 {} O 0.0 {0.560331223442 0.651156364471 0.512659229009} O2 139 -1 1 {} H 0.0 {0.549955446829 0.652671665631 0.512138922752} H2 140 -1 8 {} O 0.0 {0.556868515434 0.621977152543 0.506331567923} O3 141 -1 1 {} H 0.0 {0.547111487842 0.624834685421 0.503714020144} H3 142 -1 8 {} O 0.0 {0.555836450427 0.631396849877 0.534859954069} O4 143 -1 1 {} H 0.0 {0.547271215901 0.625436877718 0.533702321989} H4 144 -1 14 {} Si 0.0 {0.375855516713 0.676261511815 0.338271236311} Si1 145 -1 8 {} O 0.0 {0.373218698441 0.658272930142 0.341022400051} O1 146 -1 1 {} H 0.0 {0.364680651232 0.655160770315 0.335768924098} H1 147 -1 8 {} O 0.0 {0.369175778168 0.685704934261 0.352575720104} O2 148 -1 1 {} H 0.0 {0.362444216199 0.692976235645 0.349123468929} H2 149 -1 8 {} O 0.0 {0.393848914583 0.679632487362 0.336565408901} O3 150 -1 1 {} H 0.0 {0.395368061809 0.686636113285 0.328897798851} H3 151 -1 8 {} O 0.0 {0.367173295898 0.681441354252 0.322897310409} O4 152 -1 1 {} H 0.0 {0.369780979227 0.674945997723 0.315069747945} H4 153 -1 14 {} Si 0.0 {0.574288871263 0.335418221343 0.508509724335} Si1 154 -1 8 {} O 0.0 {0.575510723941 0.348502971805 0.495635173075} O1 155 -1 1 {} H 0.0 {0.572066230418 0.344709338359 0.486468873904} H1 156 -1 8 {} O 0.0 {0.583294122596 0.702669137321 0.502862076119} O2 157 -1 1 {} H 0.0 {0.576908595072 0.694353281765 0.503430003791} H2 158 -1 8 {} O 0.0 {0.5817551051 0.341516010899 0.524182229499} O3 159 -1 1 {} H 0.0 {0.579138346688 0.335058037783 0.532038723238} H3 160 -1 8 {} O 0.0 {0.556594313182 0.331256678934 0.511355216705} O4 161 -1 1 {} H 0.0 {0.550585567031 0.336982962799 0.504919677613} H4 162 -1 14 {} Si 0.0 {0.351869737426 0.398312658226 0.617540146403} Si1 163 -1 8 {} O 0.0 {0.347140598252 0.416044874445 0.616158855782} O1 164 -1 1 {} H 0.0 {0.338592215816 0.416914701495 0.610126421033} H1 165 -1 8 {} O 0.0 {0.351368993735 0.390509007426 0.600885573937} O2 166 -1 1 {} H 0.0 {0.349022520005 0.380319785815 0.601878791973} H2 167 -1 8 {} O 0.0 {0.368895009953 0.397024213845 0.624403146962} O3 168 -1 1 {} H 0.0 {0.370967180954 0.38699712593 0.626729664961} H3 169 -1 8 {} O 0.0 {0.340075296837 0.389676756057 0.628715014921} O4 170 -1 1 {} H 0.0 {0.333488257607 0.383840708117 0.622991357791} H4 171 -1 14 {} Si 0.0 {0.656914000041 0.37918110917 0.360430321885} Si1 172 -1 8 {} O 0.0 {0.645142361321 0.391610913128 0.353677589848} O1 173 -1 1 {} H 0.0 {0.64077335324 0.396944078021 0.361596656571} H1 174 -1 8 {} O 0.0 {0.64841979121 0.362946388679 0.362038390124} O2 175 -1 1 {} H 0.0 {0.653044225685 0.357326768405 0.369604903488} H2 176 -1 8 {} O 0.0 {0.671265729353 0.377496613903 0.349041472493} O3 177 -1 1 {} H 0.0 {0.677443613564 0.369678394187 0.352348854221} H3 178 -1 8 {} O 0.0 {0.662828806866 0.384661351013 0.376965392605} O4 179 -1 1 {} H 0.0 {0.659016184853 0.378231487381 0.384335688437} H4 180 -1 14 {} Si 0.0 {0.562603554235 0.691398373041 0.58997781408} Si1 181 -1 8 {} O 0.0 {0.549588681714 0.702317918627 0.597055673915} O1 182 -1 1 {} H 0.0 {0.549340666651 0.329091946148 0.591727328079} H1 183 -1 8 {} O 0.0 {0.572358818115 0.70075238686 0.57749833457} O2 184 -1 1 {} H 0.0 {0.572567160223 0.695364630555 0.568489020967} H2 185 -1 8 {} O 0.0 {0.573767487103 0.685640676454 0.603420169801} O3 186 -1 1 {} H 0.0 {0.5796854588 0.677722795329 0.599883536646} H3 187 -1 8 {} O 0.0 {0.554707352557 0.676867262374 0.581922971737} O4 188 -1 1 {} H 0.0 {0.561587437247 0.672319524709 0.575427371711} H4 189 -1 14 {} Si 0.0 {0.667106669063 0.625630217187 0.413962690068} Si1 190 -1 8 {} O 0.0 {0.669696450923 0.613712743593 0.42774252816} O1 191 -1 1 {} H 0.0 {0.67993159368 0.613205315668 0.430044777688} H1 192 -1 8 {} O 0.0 {0.651164212965 0.621932538035 0.405569435465} O2 193 -1 1 {} H 0.0 {0.652126183643 0.623794165553 0.395285300567} H2 194 -1 8 {} O 0.0 {0.666654412152 0.642766957454 0.42067157716} O3 195 -1 1 {} H 0.0 {0.675091601704 0.648048219207 0.417344532729} H3 196 -1 8 {} O 0.0 {0.29863239909 0.624091664527 0.40186429663} O4 197 -1 1 {} H 0.0 {0.305164640088 0.632232063989 0.402959464258} H4 198 -1 14 {} Si 0.0 {0.298769722353 0.663687841537 0.551980473758} Si1 199 -1 8 {} O 0.0 {0.671598485671 0.657144518548 0.566360823137} O1 200 -1 1 {} H 0.0 {0.661310274869 0.65784184385 0.564387970886} H1 201 -1 8 {} O 0.0 {0.669529382413 0.666623793146 0.537939269762} O2 202 -1 1 {} H 0.0 {0.674981729687 0.666965973061 0.52897933205} H2 203 -1 8 {} O 0.0 {0.306885797647 0.679530512715 0.556655908114} O3 204 -1 1 {} H 0.0 {0.314221909291 0.677679092781 0.563928739768} H3 205 -1 8 {} O 0.0 {0.31158731942 0.651460263861 0.546948414771} O4 206 -1 1 {} H 0.0 {0.31645271097 0.647772299487 0.555491651735} H4 207 -1 14 {} Si 0.0 {0.632686633991 0.669108551245 0.379307272539} Si1 208 -1 8 {} O 0.0 {0.638677364519 0.65948323379 0.364813957461} O1 209 -1 1 {} H 0.0 {0.63487136097 0.663723304022 0.356000441397} H1 210 -1 8 {} O 0.0 {0.618777609212 0.679970032204 0.374120497705} O2 211 -1 1 {} H 0.0 {0.622265793084 0.689811385334 0.3730180327} H2 212 -1 8 {} O 0.0 {0.626880459281 0.657535304033 0.392378137195} O3 213 -1 1 {} H 0.0 {0.634840950095 0.651382547407 0.395381951103} H3 214 -1 8 {} O 0.0 {0.646400428863 0.679452427036 0.385917083945} O4 215 -1 1 {} H 0.0 {0.649659781785 0.675489707906 0.395081036042} H4 216 -1 14 {} Si 0.0 {0.308032499574 0.408912329809 0.609557041691} Si1 217 -1 8 {} O 0.0 {0.298383680109 0.41853389321 0.597191672517} O1 218 -1 1 {} H 0.0 {0.301872637786 0.416301202244 0.587542713847} H1 219 -1 8 {} O 0.0 {0.316052587321 0.420474699218 0.621409884194} O2 220 -1 1 {} H 0.0 {0.321746583364 0.41499215797 0.628320762347} H2 221 -1 8 {} O 0.0 {0.679026975939 0.397603855497 0.61869665665} O3 222 -1 1 {} H 0.0 {0.677925567117 0.388666737086 0.613296943851} H3 223 -1 8 {} O 0.0 {0.320937793263 0.399036989422 0.600925312844} O4 224 -1 1 {} H 0.0 {0.329351271865 0.398106291177 0.607134245939} H4 225 -1 14 {} Si 0.0 {0.563775400258 0.518006200736 0.419467857616} Si1 226 -1 8 {} O 0.0 {0.576872139983 0.506676565691 0.41324133283} O1 227 -1 1 {} H 0.0 {0.581412531651 0.501800773851 0.421349750398} H1 228 -1 8 {} O 0.0 {0.556927413347 0.511423316648 0.435227584454} O2 229 -1 1 {} H 0.0 {0.555606089012 0.519324311104 0.442021979115} H2 230 -1 8 {} O 0.0 {0.570965948386 0.534673017592 0.422412101209} O3 231 -1 1 {} H 0.0 {0.563514904145 0.541955439546 0.421107633006} H3 232 -1 8 {} O 0.0 {0.550326881181 0.519283660668 0.40698554541} O4 233 -1 1 {} H 0.0 {0.550960845814 0.528573628005 0.40212479579} H4 234 -1 14 {} Si 0.0 {0.611174492752 0.505658862757 0.450660549609} Si1 235 -1 8 {} O 0.0 {0.609668651029 0.497180914311 0.434397290972} O1 236 -1 1 {} H 0.0 {0.611913580876 0.503973485914 0.426707726698} H1 237 -1 8 {} O 0.0 {0.625928322709 0.516625866006 0.450512229564} O2 238 -1 1 {} H 0.0 {0.623890540926 0.525269487216 0.456096425686} H2 239 -1 8 {} O 0.0 {0.596073540174 0.515681373324 0.453773607803} O3 240 -1 1 {} H 0.0 {0.587937212763 0.509272531138 0.455523265047} H3 241 -1 8 {} O 0.0 {0.613021261812 0.493154558127 0.463977856907} O4 242 -1 1 {} H 0.0 {0.604917357966 0.493900084892 0.470589154001} H4 243 -1 14 {} Si 0.0 {0.652692780811 0.372698263863 0.637031948486} Si1 244 -1 8 {} O 0.0 {0.660046430436 0.372390219218 0.653889425386} O1 245 -1 1 {} H 0.0 {0.664420478697 0.362997624775 0.655615364967} H1 246 -1 8 {} O 0.0 {0.640957222872 0.358648873079 0.635241150164} O2 247 -1 1 {} H 0.0 {0.640897560276 0.35540803519 0.625262357223} H2 248 -1 8 {} O 0.0 {0.643694688485 0.388553962913 0.634548393051} O3 249 -1 1 {} H 0.0 {0.647865276593 0.393691315809 0.626396326521} H3 250 -1 8 {} O 0.0 {0.666056394799 0.371193860788 0.624460705258} O4 251 -1 1 {} H 0.0 {0.663473774537 0.37676222901 0.615937351271} H4 252 -1 14 {} Si 0.0 {0.352397817839 0.670857207431 0.518668280787} Si1 253 -1 8 {} O 0.0 {0.354918012783 0.652705737319 0.520005018251} O1 254 -1 1 {} H 0.0 {0.356843693498 0.648750840761 0.51047656526} H1 255 -1 8 {} O 0.0 {0.334469785944 0.67441524324 0.516261151932} O2 256 -1 1 {} H 0.0 {0.333014656665 0.678959201567 0.506901531618} H2 257 -1 8 {} O 0.0 {0.358305864772 0.679010224002 0.534059487728} O3 258 -1 1 {} H 0.0 {0.36099726861 0.688944121371 0.531938397463} H3 259 -1 8 {} O 0.0 {0.361945761058 0.677287441289 0.504330438122} O4 260 -1 1 {} H 0.0 {0.370984522788 0.672025227446 0.503524946804} H4 261 -1 14 {} Si 0.0 {0.494629270506 0.523861863586 0.369780568719} Si1 262 -1 8 {} O 0.0 {0.494391953157 0.513673160284 0.385092516026} O1 263 -1 1 {} H 0.0 {0.491841424425 0.503781649511 0.382661918782} H1 264 -1 8 {} O 0.0 {0.478304489453 0.532025456989 0.367556105395} O2 265 -1 1 {} H 0.0 {0.471284838044 0.527581896784 0.373953568568} H2 266 -1 8 {} O 0.0 {0.507760128587 0.536665813584 0.371088496108} O3 267 -1 1 {} H 0.0 {0.503550740876 0.546143793108 0.3694646388} H3 268 -1 8 {} O 0.0 {0.498043321611 0.513135305787 0.355322525574} O4 269 -1 1 {} H 0.0 {0.49642199546 0.518627173617 0.346561945899} H4 270 -1 14 {} Si 0.0 {0.508709842842 0.364289238147 0.363472044557} Si1 271 -1 8 {} O 0.0 {0.520017140386 0.367716454112 0.349366586143} O1 272 -1 1 {} H 0.0 {0.528275748712 0.373234294513 0.352775709373} H1 273 -1 8 {} O 0.0 {0.494835895095 0.376361037447 0.363282917803} O2 274 -1 1 {} H 0.0 {0.489006390392 0.375104295966 0.371915125666} H2 275 -1 8 {} O 0.0 {0.502003869938 0.347224173347 0.361949151531} O3 276 -1 1 {} H 0.0 {0.496166023551 0.346533949718 0.35324800285} H3 277 -1 8 {} O 0.0 {0.517981694973 0.365851224873 0.379290331004} O4 278 -1 1 {} H 0.0 {0.513055946364 0.372685124741 0.385560461399} H4 279 -1 14 {} Si 0.0 {0.484999820226 0.501335522916 0.539143066883} Si1 280 -1 8 {} O 0.0 {0.488478933536 0.485950852832 0.548610708429} O1 281 -1 1 {} H 0.0 {0.479539012896 0.480634388027 0.550030255069} H1 282 -1 8 {} O 0.0 {0.478332034434 0.51415571337 0.550529969926} O2 283 -1 1 {} H 0.0 {0.482078406607 0.512517275213 0.560198746331} H2 284 -1 8 {} O 0.0 {0.500569093252 0.507449184179 0.531457180533} O3 285 -1 1 {} H 0.0 {0.499014995212 0.509023997522 0.521193983057} H3 286 -1 8 {} O 0.0 {0.47261829931 0.497779678154 0.525994714357} O4 287 -1 1 {} H 0.0 {0.476863821525 0.499695323565 0.516589613209} H4 288 -1 14 {} Si 0.0 {0.362904945453 0.368778484895 0.432756075897} Si1 289 -1 8 {} O 0.0 {0.346647737234 0.365625715667 0.440764577681} O1 290 -1 1 {} H 0.0 {0.34653164757 0.370062334326 0.450272630692} H1 291 -1 8 {} O 0.0 {0.374221182042 0.376845445473 0.444793157181} O2 292 -1 1 {} H 0.0 {0.379559285414 0.384483339819 0.439972411894} H2 293 -1 8 {} O 0.0 {0.370236451987 0.352823364562 0.427282944472} O3 294 -1 1 {} H 0.0 {0.377552174718 0.349794429021 0.434155755019} H3 295 -1 8 {} O 0.0 {0.360511393989 0.379826922699 0.418215582745} O4 296 -1 1 {} H 0.0 {0.363672660065 0.374894157814 0.409513507534} H4 297 -1 14 {} Si 0.0 {0.505885815525 0.471909543821 0.457204931177} Si1 298 -1 8 {} O 0.0 {0.509409829929 0.456504784712 0.466613144714} O1 299 -1 1 {} H 0.0 {0.51447677206 0.449724093031 0.460418288699} H1 300 -1 8 {} O 0.0 {0.499045489159 0.467587928593 0.440672211806} O2 301 -1 1 {} H 0.0 {0.502815583767 0.47424625549 0.433485737355} H2 302 -1 8 {} O 0.0 {0.493657227742 0.482018094826 0.466462184403} O3 303 -1 1 {} H 0.0 {0.495343903998 0.492190461394 0.464532981233} H3 304 -1 8 {} O 0.0 {0.521441229941 0.481520565934 0.455134291603} O4 305 -1 1 {} H 0.0 {0.520169027586 0.488618279944 0.447509950532} H4 306 -1 14 {} Si 0.0 {0.325398742457 0.408243986631 0.451923666946} Si1 307 -1 8 {} O 0.0 {0.32347044985 0.421515127237 0.439327455505} O1 308 -1 1 {} H 0.0 {0.329701469036 0.419465161208 0.431122038179} H1 309 -1 8 {} O 0.0 {0.331407373079 0.392898388949 0.443759824434} O2 310 -1 1 {} H 0.0 {0.326003956275 0.391320932591 0.434899638171} H2 311 -1 8 {} O 0.0 {0.337565193123 0.413581198412 0.464660396634} O3 312 -1 1 {} H 0.0 {0.332448538518 0.416942697105 0.4731891839} H3 313 -1 8 {} O 0.0 {0.309149971977 0.404974133106 0.459929378503} O4 314 -1 1 {} H 0.0 {0.306880402282 0.412803065753 0.466547714564} H4 315 -1 14 {} Si 0.0 {0.662757639612 0.438863997757 0.405165149786} Si1 316 -1 8 {} O 0.0 {0.64796952861 0.449773362643 0.406092806402} O1 317 -1 1 {} H 0.0 {0.639356616645 0.444164293333 0.403945102694} H1 318 -1 8 {} O 0.0 {0.671470196707 0.441672168164 0.38920156272} O2 319 -1 1 {} H 0.0 {0.664435021676 0.443896989657 0.381731345945} H2 320 -1 8 {} O 0.0 {0.674109240586 0.442736335045 0.419116265514} O3 321 -1 1 {} H 0.0 {0.674077250395 0.434769922768 0.425956337685} H3 322 -1 8 {} O 0.0 {0.657481311867 0.421271892909 0.406252630598} O4 323 -1 1 {} H 0.0 {0.652961910453 0.419556512165 0.415572906087} H4 324 -1 14 {} Si 0.0 {0.453610562486 0.705877394034 0.553543791267} Si1 325 -1 8 {} O 0.0 {0.469260964708 0.333240400895 0.554506401194} O1 326 -1 1 {} H 0.0 {0.469375551273 0.340481752926 0.546908834952} H1 327 -1 8 {} O 0.0 {0.454370721978 0.691766402538 0.565299376038} O2 328 -1 1 {} H 0.0 {0.460647854389 0.684314634159 0.561382394784} H2 329 -1 8 {} O 0.0 {0.439428339093 0.334473125924 0.557889038114} O3 330 -1 1 {} H 0.0 {0.43194186284 0.328756472867 0.56253185499} H3 331 -1 8 {} O 0.0 {0.451384014312 0.699459667459 0.536466817361} O4 332 -1 1 {} H 0.0 {0.443288546393 0.692766705044 0.536295336517} H4 333 -1 14 {} Si 0.0 {0.312202678967 0.354494918598 0.563041621992} Si1 334 -1 8 {} O 0.0 {0.301601487055 0.351013788577 0.548406420394} O1 335 -1 1 {} H 0.0 {0.6755155209 0.345409789487 0.551403459973} H1 336 -1 8 {} O 0.0 {0.312857118259 0.33961254041 0.573839620651} O2 337 -1 1 {} H 0.0 {0.321223638138 0.34025480586 0.580156718084} H2 338 -1 8 {} O 0.0 {0.329203635913 0.358734629402 0.557425467819} O3 339 -1 1 {} H 0.0 {0.3352090607 0.360846360762 0.565774516276} H3 340 -1 8 {} O 0.0 {0.305155788963 0.368622053423 0.572492881693} O4 341 -1 1 {} H 0.0 {0.307625089781 0.367603051558 0.582645298502} H4 342 -1 14 {} Si 0.0 {0.617699230741 0.680555105158 0.414576390014} Si1 343 -1 8 {} O 0.0 {0.616371464364 0.690895332719 0.399415009024} O1 344 -1 1 {} H 0.0 {0.626000827295 0.693393855392 0.396043311868} H1 345 -1 8 {} O 0.0 {0.600844759818 0.6763255967 0.42062289818} O2 346 -1 1 {} H 0.0 {0.597640580083 0.683650839213 0.42742808852} H2 347 -1 8 {} O 0.0 {0.626872782958 0.665091983143 0.410664530985} O3 348 -1 1 {} H 0.0 {0.625221607676 0.658036711766 0.418261648222} H3 349 -1 8 {} O 0.0 {0.626711666659 0.689909666304 0.4276022401} O4 350 -1 1 {} H 0.0 {0.630429177172 0.683203480125 0.434772932279} H4 351 -1 14 {} Si 0.0 {0.460141258557 0.469809555213 0.577696389038} Si1 352 -1 8 {} O 0.0 {0.47584812186 0.477945090544 0.582746481984} O1 353 -1 1 {} H 0.0 {0.474266510255 0.488282741347 0.58369721984} H1 354 -1 8 {} O 0.0 {0.448878147009 0.482328200151 0.570282380181} O2 355 -1 1 {} H 0.0 {0.441338586058 0.484747746769 0.5771726593} H2 356 -1 8 {} O 0.0 {0.463727972775 0.456680090044 0.565302946537} O3 357 -1 1 {} H 0.0 {0.468107808652 0.448438987047 0.570115897563} H3 358 -1 8 {} O 0.0 {0.452108262864 0.462300629898 0.592449134026} O4 359 -1 1 {} H 0.0 {0.452001765762 0.45185407517 0.591424870148} H4 360 -1 14 {} Si 0.0 {0.308297786004 0.468496101498 0.519267583239} Si1 361 -1 8 {} O 0.0 {0.31235594683 0.462232228674 0.502449915382} O1 362 -1 1 {} H 0.0 {0.320213020664 0.467908001004 0.498414321256} H1 363 -1 8 {} O 0.0 {0.31248185678 0.486373392115 0.520336095621} O2 364 -1 1 {} H 0.0 {0.320890022095 0.487616114942 0.526490696484} H2 365 -1 8 {} O 0.0 {0.672598988152 0.466215854501 0.522498040345} O3 366 -1 1 {} H 0.0 {0.670985691793 0.465443853167 0.532841362412} H3 367 -1 8 {} O 0.0 {0.318023638382 0.459163023571 0.531785685326} O4 368 -1 1 {} H 0.0 {0.31794431915 0.448950446052 0.52935315809} H4 369 -1 14 {} Si 0.0 {0.603530974068 0.485260506215 0.377285767854} Si1 370 -1 8 {} O 0.0 {0.60188541772 0.473428151559 0.363286862418} O1 371 -1 1 {} H 0.0 {0.591737669986 0.472306639977 0.360841975546} H1 372 -1 8 {} O 0.0 {0.588936225405 0.483743206488 0.388350307377} O2 373 -1 1 {} H 0.0 {0.584484855032 0.493171169544 0.389524757828} H2 374 -1 8 {} O 0.0 {0.618832458792 0.481455039761 0.386775874209} O3 375 -1 1 {} H 0.0 {0.623929438271 0.490381967945 0.388906830435} H3 376 -1 8 {} O 0.0 {0.604454228901 0.502431211824 0.370733998997} O4 377 -1 1 {} H 0.0 {0.613460765598 0.503688853104 0.365501147111} H4 378 -1 14 {} Si 0.0 {0.309266163839 0.507219629179 0.646366797042} Si1 379 -1 8 {} O 0.0 {0.676394918519 0.509075632013 0.656681138977} O1 380 -1 1 {} H 0.0 {0.668109975131 0.510809434502 0.650454531523} H1 381 -1 8 {} O 0.0 {0.309261690261 0.520004448832 0.633113166578} O2 382 -1 1 {} H 0.0 {0.315932709926 0.517172131843 0.625519855792} H2 383 -1 8 {} O 0.0 {0.324172300704 0.509292917706 0.656899821576} O3 384 -1 1 {} H 0.0 {0.332075196115 0.503671389261 0.652879446693} H3 385 -1 8 {} O 0.0 {0.309547435612 0.490471718138 0.638787206011} O4 386 -1 1 {} H 0.0 {0.317604948341 0.489820255308 0.632085041258} H4 387 -1 14 {} Si 0.0 {0.312824089172 0.636247979589 0.488217100331} Si1 388 -1 8 {} O 0.0 {0.678951971047 0.640845956776 0.495752917953} O1 389 -1 1 {} H 0.0 {0.671177546493 0.636194431438 0.490446992674} H1 390 -1 8 {} O 0.0 {0.310748787456 0.634190228534 0.470051312894} O2 391 -1 1 {} H 0.0 {0.306385635973 0.642856084273 0.466037290259} H2 392 -1 8 {} O 0.0 {0.325139857229 0.649518080488 0.491506584968} O3 393 -1 1 {} H 0.0 {0.331428946902 0.650583397652 0.483164798058} H3 394 -1 8 {} O 0.0 {0.318720527712 0.620436507786 0.49555047233} O4 395 -1 1 {} H 0.0 {0.329170141662 0.620698052899 0.496462033285} H4 396 -1 14 {} Si 0.0 {0.427668490182 0.659464335288 0.378993942894} Si1 397 -1 8 {} O 0.0 {0.438673263205 0.644900150692 0.376748385785} O1 398 -1 1 {} H 0.0 {0.441113341426 0.643910280632 0.366587605025} H1 399 -1 8 {} O 0.0 {0.417807462365 0.662139058325 0.3637065864} O2 400 -1 1 {} H 0.0 {0.409651584938 0.668381891869 0.365872321662} H2 401 -1 8 {} O 0.0 {0.41633542612 0.656470453024 0.393180410825} O3 402 -1 1 {} H 0.0 {0.419835136942 0.661683317691 0.401604415182} H3 403 -1 8 {} O 0.0 {0.43785190955 0.674361327401 0.382368885759} O4 404 -1 1 {} H 0.0 {0.436149789796 0.677533153099 0.392207300048} H4 405 -1 14 {} Si 0.0 {0.672789155452 0.514625849549 0.626278283679} Si1 406 -1 8 {} O 0.0 {0.298803128456 0.498574808347 0.629603085755} O1 407 -1 1 {} H 0.0 {0.673827546619 0.491245141052 0.631572959398} H1 408 -1 8 {} O 0.0 {0.299067243361 0.523164101644 0.612404469541} O2 409 -1 1 {} H 0.0 {0.674263024075 0.528252394002 0.606562832095} H2 410 -1 8 {} O 0.0 {0.65522393947 0.511603960364 0.621754414861} O3 411 -1 1 {} H 0.0 {0.649130627957 0.513298279857 0.630128638131} H3 412 -1 8 {} O 0.0 {0.673538235914 0.525155633446 0.641350122578} O4 413 -1 1 {} H 0.0 {0.671095501073 0.535040257539 0.638817505368} H4 414 -1 14 {} Si 0.0 {0.629275495342 0.58404955446 0.298901703603} Si1 415 -1 8 {} O 0.0 {0.628917277657 0.588804424085 0.316697308584} O1 416 -1 1 {} H 0.0 {0.63029065508 0.599178511893 0.317572087629} H1 417 -1 8 {} O 0.0 {0.637741710859 0.567826644213 0.297071416931} O2 418 -1 1 {} H 0.0 {0.642542266905 0.567437410087 0.670020835389} H2 419 -1 8 {} O 0.0 {0.61206094106 0.582733551167 0.674742883177} O3 420 -1 1 {} H 0.0 {0.609753172062 0.591344561712 0.669174085854} H3 421 -1 8 {} O 0.0 {0.638384898699 0.596843313831 0.671608084665} O4 422 -1 1 {} H 0.0 {0.631546602211 0.603784684267 0.66768857837} H4 423 -1 14 {} Si 0.0 {0.537958808446 0.700029097077 0.542314936383} Si1 424 -1 8 {} O 0.0 {0.555749185106 0.701872459433 0.546628354929} O1 425 -1 1 {} H 0.0 {0.55739302677 0.698158944357 0.556306080328} H1 426 -1 8 {} O 0.0 {0.527805930821 0.328351069948 0.553426945549} O2 427 -1 1 {} H 0.0 {0.528823227514 0.707273457853 0.563326997465} H2 428 -1 8 {} O 0.0 {0.535330682499 0.705159065136 0.524852297383} O3 429 -1 1 {} H 0.0 {0.538212561524 0.697344232508 0.51845861298} H3 430 -1 8 {} O 0.0 {0.532953628858 0.682448551278 0.54432468792} O4 431 -1 1 {} H 0.0 {0.531661852926 0.67809257525 0.534854022489} H4 432 -1 14 {} Si 0.0 {0.407696678613 0.595798177458 0.368012443915} Si1 433 -1 8 {} O 0.0 {0.394197194367 0.591373782896 0.379717942917} O1 434 -1 1 {} H 0.0 {0.384976673047 0.591834549655 0.374747075267} H1 435 -1 8 {} O 0.0 {0.400656263467 0.605150088825 0.353829568367} O2 436 -1 1 {} H 0.0 {0.397407666444 0.598398423511 0.346478308748} H2 437 -1 8 {} O 0.0 {0.420153872021 0.606230617354 0.376663270732} O3 438 -1 1 {} H 0.0 {0.423849183045 0.613481037093 0.370031476999} H3 439 -1 8 {} O 0.0 {0.415761236004 0.580445944407 0.361825294998} O4 440 -1 1 {} H 0.0 {0.42172842064 0.576327237307 0.369419278847} H4 441 -1 14 {} Si 0.0 {0.309155554227 0.375966124241 0.394081602209} Si1 442 -1 8 {} O 0.0 {0.679545187099 0.388920467504 0.399504866301} O1 443 -1 1 {} H 0.0 {0.302536229686 0.397686554301 0.401904410557} H1 444 -1 8 {} O 0.0 {0.313690420278 0.365420334004 0.408464220786} O2 445 -1 1 {} H 0.0 {0.321950836185 0.359451978645 0.40595306786} H2 446 -1 8 {} O 0.0 {0.301367077975 0.365555428388 0.381054084435} O3 447 -1 1 {} H 0.0 {0.308803473643 0.360100713232 0.376035984495} H3 448 -1 8 {} O 0.0 {0.32428214853 0.383986605874 0.387319449757} O4 449 -1 1 {} H 0.0 {0.330517208279 0.376677926449 0.383086142012} H4 450 -1 14 {} Si 0.0 {0.477442973794 0.350940808115 0.388865000507} Si1 451 -1 8 {} O 0.0 {0.483003789522 0.363348263522 0.401244475641} O1 452 -1 1 {} H 0.0 {0.4824517834 0.359167081656 0.410854143027} H1 453 -1 8 {} O 0.0 {0.491944590216 0.341351696904 0.382847729987} O2 454 -1 1 {} H 0.0 {0.500310713893 0.347668891677 0.382276184317} H2 455 -1 8 {} O 0.0 {0.465321787566 0.339500129232 0.396662342962} O3 456 -1 1 {} H 0.0 {0.461269245446 0.333179455575 0.389323721716} H3 457 -1 8 {} O 0.0 {0.469499018654 0.359567538868 0.374714438244} O4 458 -1 1 {} H 0.0 {0.473836608235 0.369039123133 0.373522000757} H4 459 -1 14 {} Si 0.0 {0.319830843553 0.606008699117 0.33073905524} Si1 460 -1 8 {} O 0.0 {0.313056786354 0.619704545866 0.340993724036} O1 461 -1 1 {} H 0.0 {0.30294553904 0.621198628848 0.338583944898} H1 462 -1 8 {} O 0.0 {0.319182417637 0.610743809377 0.312977062278} O2 463 -1 1 {} H 0.0 {0.326357881409 0.605237903348 0.307638193811} H2 464 -1 8 {} O 0.0 {0.337279232317 0.602764583788 0.335580651474} O3 465 -1 1 {} H 0.0 {0.341469419137 0.595727058498 0.329007308666} H3 466 -1 8 {} O 0.0 {0.309810172836 0.590815169422 0.333398099933} O4 467 -1 1 {} H 0.0 {0.313120766239 0.583276632307 0.326883487397} H4 468 -1 14 {} Si 0.0 {0.414249956161 0.699789723445 0.60008846994} Si1 469 -1 8 {} O 0.0 {0.398209648813 0.696587863135 0.608511852916} O1 470 -1 1 {} H 0.0 {0.39072316902 0.695098693232 0.601302335905} H1 471 -1 8 {} O 0.0 {0.411469189681 0.328482378289 0.585575506444} O2 472 -1 1 {} H 0.0 {0.418571316857 0.326315113542 0.578155449032} H2 473 -1 8 {} O 0.0 {0.425819970872 0.325699632522 0.611828594846} O3 474 -1 1 {} H 0.0 {0.434376164471 0.328883664456 0.60664512144} H3 475 -1 8 {} O 0.0 {0.421498779197 0.683848306186 0.594437252694} O4 476 -1 1 {} H 0.0 {0.430601624366 0.685695924949 0.589543246151} H4 477 -1 14 {} Si 0.0 {0.34497272999 0.625900409438 0.307051221063} Si1 478 -1 8 {} O 0.0 {0.328790611487 0.634636925021 0.307602592966} O1 479 -1 1 {} H 0.0 {0.321246423311 0.628224347849 0.304116800472} H1 480 -1 8 {} O 0.0 {0.358510194616 0.637864917977 0.310482000621} O2 481 -1 1 {} H 0.0 {0.361870895651 0.642016239143 0.301452384433} H2 482 -1 8 {} O 0.0 {0.34518505669 0.612576271283 0.319739590752} O3 483 -1 1 {} H 0.0 {0.355125940636 0.610127351516 0.322065099638} H3 484 -1 8 {} O 0.0 {0.347409073503 0.618528911811 0.672647540162} O4 485 -1 1 {} H 0.0 {0.355472874117 0.611810462935 0.672949936513} H4 486 -1 14 {} Si 0.0 {0.357941865193 0.683985842735 0.475878125732} Si1 487 -1 8 {} O 0.0 {0.365971801428 0.672726878512 0.463747272614} O1 488 -1 1 {} H 0.0 {0.376202197645 0.67192879651 0.465973014863} H1 489 -1 8 {} O 0.0 {0.343854815255 0.692643312981 0.467815805328} O2 490 -1 1 {} H 0.0 {0.344789656958 0.702985614283 0.469330116851} H2 491 -1 8 {} O 0.0 {0.35173890378 0.67418798839 0.490155345748} O3 492 -1 1 {} H 0.0 {0.342566452545 0.678145014613 0.493374205197} H3 493 -1 8 {} O 0.0 {0.370194735346 0.696382075605 0.481781236867} O4 494 -1 1 {} H 0.0 {0.371604833484 0.6952472749 0.492123374503} H4 495 -1 14 {} Si 0.0 {0.671202170518 0.659602788118 0.620262838709} Si1 496 -1 8 {} O 0.0 {0.303597734897 0.651860745878 0.628287792896} O1 497 -1 1 {} H 0.0 {0.300588598179 0.646914011533 0.637042054604} H1 498 -1 8 {} O 0.0 {0.67683458726 0.671056262739 0.606989362331} O2 499 -1 1 {} H 0.0 {0.30423705054 0.674502035003 0.609224627245} H2 500 -1 8 {} O 0.0 {0.660525900596 0.646462066006 0.612949448262} O3 501 -1 1 {} H 0.0 {0.652329178365 0.650896790654 0.608136031454} H3 502 -1 8 {} O 0.0 {0.66157565626 0.668936848963 0.632771011017} O4 503 -1 1 {} H 0.0 {0.651485884811 0.666148748645 0.632135515785} H4 504 -1 14 {} Si 0.0 {0.628733512789 0.530746986341 0.404002233494} Si1 505 -1 8 {} O 0.0 {0.615626361601 0.527206863628 0.391607931543} O1 506 -1 1 {} H 0.0 {0.615184242418 0.535081285617 0.384673695962} H1 507 -1 8 {} O 0.0 {0.64038301035 0.516538262303 0.404874561303} O2 508 -1 1 {} H 0.0 {0.635935234763 0.5081092328 0.40049571566} H2 509 -1 8 {} O 0.0 {0.637939371747 0.545882204004 0.398970074501} O3 510 -1 1 {} H 0.0 {0.647677302774 0.545498848204 0.402863558406} H3 511 -1 8 {} O 0.0 {0.621003249704 0.533361956765 0.42051900825} O4 512 -1 1 {} H 0.0 {0.610848237127 0.535757411296 0.419288399864} H4 513 -1 14 {} Si 0.0 {0.585674452336 0.653151186678 0.318065644549} Si1 514 -1 8 {} O 0.0 {0.572144593152 0.647092015012 0.307164104215} O1 515 -1 1 {} H 0.0 {0.573134820095 0.65141370609 0.297649029894} H1 516 -1 8 {} O 0.0 {0.592957635415 0.668454673594 0.310898320572} O2 517 -1 1 {} H 0.0 {0.596390050195 0.674647972587 0.318657515892} H2 518 -1 8 {} O 0.0 {0.578922924061 0.656847340385 0.334770223293} O3 519 -1 1 {} H 0.0 {0.586028387303 0.654260566006 0.34204395553} H3 520 -1 8 {} O 0.0 {0.598679829608 0.640210644873 0.319444392255} O4 521 -1 1 {} H 0.0 {0.600208998118 0.637872419801 0.329566365871} H4 522 -1 14 {} Si 0.0 {0.427092074678 0.326339002049 0.386317668384} Si1 523 -1 8 {} O 0.0 {0.423770257647 0.344330180389 0.384665197558} O1 524 -1 1 {} H 0.0 {0.415764515867 0.345790613264 0.378055509363} H1 525 -1 8 {} O 0.0 {0.442371798816 0.704288269771 0.376988603832} O2 526 -1 1 {} H 0.0 {0.44108639934 0.70672652612 0.366854480881} H2 527 -1 8 {} O 0.0 {0.429374346222 0.704418723644 0.404103083806} O3 528 -1 1 {} H 0.0 {0.436500818343 0.328585135845 0.408317405657} H3 529 -1 8 {} O 0.0 {0.412877144825 0.699064552405 0.379534537177} O4 530 -1 1 {} H 0.0 {0.407163306043 0.695199333084 0.387452008115} H4 531 -1 14 {} Si 0.0 {0.513774010404 0.542162181732 0.450920041732} Si1 532 -1 8 {} O 0.0 {0.517073235909 0.527271593909 0.440635182054} O1 533 -1 1 {} H 0.0 {0.508159714791 0.524135190944 0.436082294766} H1 534 -1 8 {} O 0.0 {0.500282632609 0.538502266634 0.462890557343} O2 535 -1 1 {} H 0.0 {0.491190239955 0.537574262392 0.457727716305} H2 536 -1 8 {} O 0.0 {0.529043948649 0.546709095595 0.460099358087} O3 537 -1 1 {} H 0.0 {0.527041932708 0.546720368474 0.470398709168} H3 538 -1 8 {} O 0.0 {0.508721697686 0.5561425296 0.440052294997} O4 539 -1 1 {} H 0.0 {0.503639318792 0.563346377294 0.445760469615} H4 540 -1 14 {} Si 0.0 {0.327915689381 0.524349244416 0.590147783811} Si1 541 -1 8 {} O 0.0 {0.326401738322 0.507369443358 0.596983842763} O1 542 -1 1 {} H 0.0 {0.316300578392 0.505204117807 0.598667623506} H1 543 -1 8 {} O 0.0 {0.311408171485 0.532449941599 0.590014027577} O2 544 -1 1 {} H 0.0 {0.311640605565 0.540717678704 0.583536424169} H2 545 -1 8 {} O 0.0 {0.339442689315 0.534136675951 0.60059939166} O3 546 -1 1 {} H 0.0 {0.335274954206 0.543566859882 0.602503361666} H3 547 -1 8 {} O 0.0 {0.33439897277 0.523430411998 0.572993076877} O4 548 -1 1 {} H 0.0 {0.343647938502 0.518485327391 0.573026323201} H4 549 -1 14 {} Si 0.0 {0.337652016062 0.494848503212 0.496822922912} Si1 550 -1 8 {} O 0.0 {0.330157288169 0.492898711107 0.513504269671} O1 551 -1 1 {} H 0.0 {0.337762787205 0.492614969397 0.52073570377} H1 552 -1 8 {} O 0.0 {0.343979591732 0.478582084508 0.491001031674} O2 553 -1 1 {} H 0.0 {0.335906540536 0.472085703577 0.489334199048} H2 554 -1 8 {} O 0.0 {0.324893897565 0.50104066512 0.485087639455} O3 555 -1 1 {} H 0.0 {0.329349391178 0.502933929752 0.475776192614} H3 556 -1 8 {} O 0.0 {0.351545120505 0.50687512733 0.497709800171} O4 557 -1 1 {} H 0.0 {0.347926217986 0.516154989651 0.501022421516} H4 558 -1 14 {} Si 0.0 {0.341099923752 0.59478989538 0.368600072239} Si1 559 -1 8 {} O 0.0 {0.323977472085 0.601118594502 0.370853625112} O1 560 -1 1 {} H 0.0 {0.323185290523 0.605750784045 0.380247224034} H1 561 -1 8 {} O 0.0 {0.347070843187 0.587572864523 0.384437666325} O2 562 -1 1 {} H 0.0 {0.357404798335 0.589148334771 0.385311401547} H2 563 -1 8 {} O 0.0 {0.341198363175 0.581834879689 0.355528693282} O3 564 -1 1 {} H 0.0 {0.347090212718 0.57373683162 0.358686389754} H3 565 -1 8 {} O 0.0 {0.352141185706 0.608638846025 0.363594385863} O4 566 -1 1 {} H 0.0 {0.361643596091 0.604850869679 0.361237030938} H4 567 -1 14 {} Si 0.0 {0.475731910332 0.359082675961 0.672174776473} Si1 568 -1 8 {} O 0.0 {0.487503043533 0.350778484799 0.66071081202} O1 569 -1 1 {} H 0.0 {0.486810888319 0.355169219594 0.651217863439} H1 570 -1 8 {} O 0.0 {0.484973267465 0.370452345565 0.301058933939} O2 571 -1 1 {} H 0.0 {0.493122990784 0.374568260173 0.678149652728} H2 572 -1 8 {} O 0.0 {0.463453898097 0.368694225986 0.662434442825} O3 573 -1 1 {} H 0.0 {0.464097498815 0.378837447303 0.665062652335} H3 574 -1 8 {} O 0.0 {0.467015954921 0.346387566712 0.299984602857} O4 575 -1 1 {} H 0.0 {0.456821084335 0.348811675136 0.300592826898} H4 576 -1 14 {} Si 0.0 {0.413442032348 0.473041205108 0.394450969938} Si1 577 -1 8 {} O 0.0 {0.409479768154 0.458911680024 0.383356489675} O1 578 -1 1 {} H 0.0 {0.413186188085 0.450037638972 0.387548472416} H1 579 -1 8 {} O 0.0 {0.43098541427 0.47190033184 0.399850494036} O2 580 -1 1 {} H 0.0 {0.433397249917 0.480310559825 0.405652320472} H2 581 -1 8 {} O 0.0 {0.410818372994 0.488795498849 0.385418303848} O3 582 -1 1 {} H 0.0 {0.41020011509 0.496707286787 0.392298073231} H3 583 -1 8 {} O 0.0 {0.402457093051 0.472586147225 0.40916934882} O4 584 -1 1 {} H 0.0 {0.39483040989 0.479693447837 0.408016009327} H4 585 -1 14 {} Si 0.0 {0.644930086083 0.640211377785 0.64183198643} Si1 586 -1 8 {} O 0.0 {0.638769400187 0.654492280089 0.632001993551} O1 587 -1 1 {} H 0.0 {0.631854875027 0.651097619823 0.624875294158} H1 588 -1 8 {} O 0.0 {0.662076957305 0.643641166765 0.647566033412} O2 589 -1 1 {} H 0.0 {0.666362210554 0.634785730274 0.651241060646} H2 590 -1 8 {} O 0.0 {0.63399470804 0.637631521734 0.656402155203} O3 591 -1 1 {} H 0.0 {0.638882342251 0.640986947933 0.665067402187} H3 592 -1 8 {} O 0.0 {0.644875916441 0.62507816496 0.631364713278} O4 593 -1 1 {} H 0.0 {0.651895951527 0.618226470463 0.635104539292} H4 594 -1 14 {} Si 0.0 {0.444329351391 0.484054144388 0.341394104304} Si1 595 -1 8 {} O 0.0 {0.43437620022 0.471145846013 0.349912446187} O1 596 -1 1 {} H 0.0 {0.433562436959 0.462713916903 0.343706422127} H1 597 -1 8 {} O 0.0 {0.433830510497 0.492712760249 0.329057663318} O2 598 -1 1 {} H 0.0 {0.42935418451 0.501093517159 0.333550202055} H2 599 -1 8 {} O 0.0 {0.450471512753 0.496211835923 0.353748596517} O3 600 -1 1 {} H 0.0 {0.456442335164 0.491280163295 0.360814543932} H3 601 -1 8 {} O 0.0 {0.458621005194 0.476153222902 0.332881986607} O4 602 -1 1 {} H 0.0 {0.457699639254 0.477503825187 0.322511669328} H4 603 -1 14 {} Si 0.0 {0.59705067916 0.634880120189 0.438721062166} Si1 604 -1 8 {} O 0.0 {0.586378242928 0.62112403392 0.444654119809} O1 605 -1 1 {} H 0.0 {0.577861011094 0.625091626679 0.449336701674} H1 606 -1 8 {} O 0.0 {0.589210462549 0.650974471155 0.44295743199} O2 607 -1 1 {} H 0.0 {0.585155293594 0.650435702161 0.452634712734} H2 608 -1 8 {} O 0.0 {0.61353608837 0.633805871855 0.446808115036} O3 609 -1 1 {} H 0.0 {0.615799812075 0.643011984635 0.451333077988} H3 610 -1 8 {} O 0.0 {0.599055353513 0.633629519406 0.420468947993} O4 611 -1 1 {} H 0.0 {0.607277777027 0.62747594678 0.418273666087} H4 612 -1 14 {} Si 0.0 {0.445774318309 0.574684423209 0.431350237032} Si1 613 -1 8 {} O 0.0 {0.457766505692 0.586115929442 0.439333089928} O1 614 -1 1 {} H 0.0 {0.467315291128 0.584535569844 0.435300887384} H1 615 -1 8 {} O 0.0 {0.454572436857 0.564260784506 0.419023654626} O2 616 -1 1 {} H 0.0 {0.454099367425 0.55420414181 0.421996472151} H2 617 -1 8 {} O 0.0 {0.438033455829 0.563844869089 0.444109824276} O3 618 -1 1 {} H 0.0 {0.429694580969 0.568703804615 0.448252067445} H3 619 -1 8 {} O 0.0 {0.432748012228 0.584522798652 0.422888897593} O4 620 -1 1 {} H 0.0 {0.423502334902 0.579694291442 0.423935874327} H4 621 -1 14 {} Si 0.0 {0.570937248742 0.615248092929 0.410035204184} Si1 622 -1 8 {} O 0.0 {0.585851968147 0.609398364846 0.419087042438} O1 623 -1 1 {} H 0.0 {0.582899100883 0.60324158579 0.427064821845} H1 624 -1 8 {} O 0.0 {0.569632238332 0.633526746961 0.411520266594} O2 625 -1 1 {} H 0.0 {0.56825284051 0.637712573261 0.40200200368} H2 626 -1 8 {} O 0.0 {0.57232318147 0.610634511823 0.392286298717} O3 627 -1 1 {} H 0.0 {0.564313021173 0.604371412046 0.389681183154} H3 628 -1 8 {} O 0.0 {0.555929120825 0.607428936981 0.417241054335} O4 629 -1 1 {} H 0.0 {0.548372609073 0.607028362203 0.409959131046} H4 630 -1 14 {} Si 0.0 {0.320962439223 0.483016630223 0.350900277876} Si1 631 -1 8 {} O 0.0 {0.306747253804 0.471409963037 0.34958921388} O1 632 -1 1 {} H 0.0 {0.298227894385 0.476666159156 0.346431657372} H1 633 -1 8 {} O 0.0 {0.315482582883 0.499994148829 0.346376595945} O2 634 -1 1 {} H 0.0 {0.315430636171 0.506051230214 0.354945996007} H2 635 -1 8 {} O 0.0 {0.327292640295 0.483029003477 0.36816229653} O3 636 -1 1 {} H 0.0 {0.33598712548 0.477171870175 0.368684732371} H3 637 -1 8 {} O 0.0 {0.334340081868 0.477627142086 0.339476186542} O4 638 -1 1 {} H 0.0 {0.337144524168 0.467773825867 0.341794840594} H4 639 -1 14 {} Si 0.0 {0.437376138207 0.358441361466 0.556797504996} Si1 640 -1 8 {} O 0.0 {0.422637554227 0.369437505323 0.55634718384} O1 641 -1 1 {} H 0.0 {0.425346034464 0.379027920676 0.559636917389} H1 642 -1 8 {} O 0.0 {0.435041534531 0.345599901943 0.569775700689} O2 643 -1 1 {} H 0.0 {0.42798839584 0.34895505821 0.576776637111} H2 644 -1 8 {} O 0.0 {0.439480247832 0.350339668433 0.540396266527} O3 645 -1 1 {} H 0.0 {0.447632544276 0.343740769477 0.540780493855} H3 646 -1 8 {} O 0.0 {0.452345140142 0.368407492781 0.560677685658} O4 647 -1 1 {} H 0.0 {0.45652993919 0.372028225755 0.551757869322} H4 648 -1 14 {} Si 0.0 {0.596628436532 0.602615024167 0.308283728678} Si1 649 -1 8 {} O 0.0 {0.612284589985 0.593976361926 0.304154642626} O1 650 -1 1 {} H 0.0 {0.613778698368 0.586080430407 0.310900222288} H1 651 -1 8 {} O 0.0 {0.599092810823 0.612689810857 0.32343918888} O2 652 -1 1 {} H 0.0 {0.607111457145 0.619296108513 0.321939128024} H2 653 -1 8 {} O 0.0 {0.591798556859 0.613605986432 0.67663129465} O3 654 -1 1 {} H 0.0 {0.582959453782 0.618690577481 0.679124046623} H3 655 -1 8 {} O 0.0 {0.583353934097 0.590220088554 0.311208806283} O4 656 -1 1 {} H 0.0 {0.573992637486 0.594855954073 0.310232938304} H4 657 -1 14 {} Si 0.0 {0.307877878745 0.505254219385 0.390836629183} Si1 658 -1 8 {} O 0.0 {0.325170853494 0.510830687671 0.393733524099} O1 659 -1 1 {} H 0.0 {0.33161106616 0.505797286216 0.387151796382} H1 660 -1 8 {} O 0.0 {0.300506526676 0.499597109991 0.406707527645} O2 661 -1 1 {} H 0.0 {0.299136627067 0.489192482481 0.406401575519} H2 662 -1 8 {} O 0.0 {0.297978984278 0.519215304288 0.384097679115} O3 663 -1 1 {} H 0.0 {0.677380745126 0.517021998108 0.374241482456} H3 664 -1 8 {} O 0.0 {0.307848958413 0.491345220512 0.378785779715} O4 665 -1 1 {} H 0.0 {0.297967407216 0.489243230165 0.375918240898} H4 666 -1 14 {} Si 0.0 {0.410121277785 0.399469843541 0.380215042314} Si1 667 -1 8 {} O 0.0 {0.407864460054 0.38152180942 0.383579323834} O1 668 -1 1 {} H 0.0 {0.400019128931 0.380214436088 0.390430712918} H1 669 -1 8 {} O 0.0 {0.425727813008 0.405267541961 0.3880519814} O2 670 -1 1 {} H 0.0 {0.428607275242 0.41440360366 0.383751465174} H2 671 -1 8 {} O 0.0 {0.410975618234 0.402224226279 0.36204267427} O3 672 -1 1 {} H 0.0 {0.410243803307 0.412501950404 0.360030987588} H3 673 -1 8 {} O 0.0 {0.395918329825 0.408856275759 0.38718235287} O4 674 -1 1 {} H 0.0 {0.388878726853 0.41065743604 0.379607463379} H4 675 -1 14 {} Si 0.0 {0.61500564845 0.364453848846 0.510660883869} Si1 676 -1 8 {} O 0.0 {0.624588639606 0.34875371184 0.511204803913} O1 677 -1 1 {} H 0.0 {0.634824341866 0.350876523704 0.510227167144} H1 678 -1 8 {} O 0.0 {0.597020043635 0.360684030023 0.511587099915} O2 679 -1 1 {} H 0.0 {0.591537878895 0.368970568241 0.508198169866} H2 680 -1 8 {} O 0.0 {0.619775056983 0.375074139843 0.524914992135} O3 681 -1 1 {} H 0.0 {0.626419604399 0.382516481252 0.52165024192} H3 682 -1 8 {} O 0.0 {0.618645262559 0.373295355689 0.494936456321} O4 683 -1 1 {} H 0.0 {0.609643079336 0.375555609838 0.490039017419} H4 684 -1 14 {} Si 0.0 {0.614882897886 0.443425630675 0.319073141272} Si1 685 -1 8 {} O 0.0 {0.608739962117 0.426110447261 0.318278222452} O1 686 -1 1 {} H 0.0 {0.616617249088 0.419733495773 0.315543026785} H1 687 -1 8 {} O 0.0 {0.623291667082 0.44764677346 0.30330262901} O2 688 -1 1 {} H 0.0 {0.62822512995 0.456817801251 0.304368817137} H2 689 -1 8 {} O 0.0 {0.600707208488 0.454849958125 0.321703306588} O3 690 -1 1 {} H 0.0 {0.594645123507 0.451156621355 0.329434289495} H3 691 -1 8 {} O 0.0 {0.626796681212 0.445114599354 0.333007801668} O4 692 -1 1 {} H 0.0 {0.62178894283 0.448877656977 0.341448272193} H4 693 -1 14 {} Si 0.0 {0.653802334136 0.663325919915 0.462414395019} Si1 694 -1 8 {} O 0.0 {0.660253239864 0.654499688276 0.447617573363} O1 695 -1 1 {} H 0.0 {0.665377362572 0.66129145231 0.441462138891} H1 696 -1 8 {} O 0.0 {0.63566185929 0.665851772692 0.460625185048} O2 697 -1 1 {} H 0.0 {0.630710677228 0.661493295989 0.468792329556} H2 698 -1 8 {} O 0.0 {0.657155632329 0.653305491718 0.477478329382} O3 699 -1 1 {} H 0.0 {0.648061236956 0.650673295187 0.482014603766} H3 700 -1 8 {} O 0.0 {0.662146428268 0.679651165899 0.463927975679} O4 701 -1 1 {} H 0.0 {0.671487509821 0.678373351617 0.4685391224} H4 702 -1 14 {} Si 0.0 {0.415426935503 0.404346650116 0.468967475108} Si1 703 -1 8 {} O 0.0 {0.422680682552 0.391570109587 0.457886003336} O1 704 -1 1 {} H 0.0 {0.41585154724 0.389293563295 0.450243406146} H1 705 -1 8 {} O 0.0 {0.404664285981 0.41559999254 0.459146098337} O2 706 -1 1 {} H 0.0 {0.40833107696 0.425411304498 0.459820237153} H2 707 -1 8 {} O 0.0 {0.405427175171 0.396175315466 0.482058466985} O3 708 -1 1 {} H 0.0 {0.409047061687 0.399038351829 0.491494996464} H3 709 -1 8 {} O 0.0 {0.42894951569 0.414024524625 0.476811548985} O4 710 -1 1 {} H 0.0 {0.432303653494 0.408981934998 0.485395680339} H4 711 -1 14 {} Si 0.0 {0.565008410785 0.555042043547 0.61319830848} Si1 712 -1 8 {} O 0.0 {0.578873817732 0.549786611475 0.624134511494} O1 713 -1 1 {} H 0.0 {0.587390126632 0.547838540608 0.618304261674} H1 714 -1 8 {} O 0.0 {0.556165344788 0.540225507905 0.606847398782} O2 715 -1 1 {} H 0.0 {0.555863782248 0.540577918698 0.596354637201} H2 716 -1 8 {} O 0.0 {0.553268656572 0.565451187106 0.622783445522} O3 717 -1 1 {} H 0.0 {0.558601810249 0.572836847075 0.627972469121} H3 718 -1 8 {} O 0.0 {0.571662647319 0.564711398356 0.599016094759} O4 719 -1 1 {} H 0.0 {0.581075732124 0.568600196766 0.601545003729} H4 720 -1 14 {} Si 0.0 {0.601569206922 0.557194639136 0.568191446288} Si1 721 -1 8 {} O 0.0 {0.598999149268 0.539543724559 0.563673496388} O1 722 -1 1 {} H 0.0 {0.589204141215 0.538245374849 0.560113902028} H1 723 -1 8 {} O 0.0 {0.598296656705 0.559469743901 0.586155980047} O2 724 -1 1 {} H 0.0 {0.599156703014 0.569647779113 0.588596378926} H2 725 -1 8 {} O 0.0 {0.618937061947 0.562008216522 0.564477174289} O3 726 -1 1 {} H 0.0 {0.61901412061 0.569109511286 0.556747668527} H3 727 -1 8 {} O 0.0 {0.590038474234 0.567747017765 0.55847027458} O4 728 -1 1 {} H 0.0 {0.595525809317 0.573645784715 0.551744066213} H4 729 -1 14 {} Si 0.0 {0.527659807255 0.337487844681 0.304356720362} Si1 730 -1 8 {} O 0.0 {0.540610352538 0.341579060241 0.316762638986} O1 731 -1 1 {} H 0.0 {0.549526566251 0.336630880491 0.314253297892} H1 732 -1 8 {} O 0.0 {0.521685489815 0.702591002001 0.307173783745} O2 733 -1 1 {} H 0.0 {0.529031670163 0.695785427492 0.30402401886} H2 734 -1 8 {} O 0.0 {0.513591050261 0.349233774342 0.306075577323} O3 735 -1 1 {} H 0.0 {0.511668159252 0.353758878309 0.679073271402} H3 736 -1 8 {} O 0.0 {0.534766166688 0.338800320926 0.669699671388} O4 737 -1 1 {} H 0.0 {0.530000551198 0.346574525323 0.664502799787} H4 738 -1 14 {} Si 0.0 {0.305803346754 0.390163304439 0.508752605681} Si1 739 -1 8 {} O 0.0 {0.300940775946 0.392829344382 0.491220779663} O1 740 -1 1 {} H 0.0 {0.675327454262 0.399745934348 0.490805117357} H1 741 -1 8 {} O 0.0 {0.679837975078 0.402716759568 0.519394900968} O2 742 -1 1 {} H 0.0 {0.300596737826 0.412323284197 0.516436893496} H2 743 -1 8 {} O 0.0 {0.300648529648 0.373345541533 0.514011863034} O3 744 -1 1 {} H 0.0 {0.308023611488 0.36640699931 0.511267615962} H3 745 -1 8 {} O 0.0 {0.324051669234 0.391746205062 0.51037031926} O4 746 -1 1 {} H 0.0 {0.328715632236 0.384357351816 0.504548527423} H4 747 -1 14 {} Si 0.0 {0.343613316227 0.606311825385 0.536509299992} Si1 748 -1 8 {} O 0.0 {0.344903877273 0.621464639123 0.526158721272} O1 749 -1 1 {} H 0.0 {0.344911590471 0.629936621956 0.532359941296} H1 750 -1 8 {} O 0.0 {0.333277583161 0.60987047097 0.551302595686} O2 751 -1 1 {} H 0.0 {0.338351931636 0.606723428654 0.55993485302} H2 752 -1 8 {} O 0.0 {0.335855638783 0.592823615375 0.526688644545} O3 753 -1 1 {} H 0.0 {0.338060541707 0.583568392734 0.531128090636} H3 754 -1 8 {} O 0.0 {0.36041657608 0.60108277124 0.541889630541} O4 755 -1 1 {} H 0.0 {0.36330293368 0.592542281673 0.536502564632} H4 756 -1 14 {} Si 0.0 {0.497698135816 0.671276336387 0.64350872188} Si1 757 -1 8 {} O 0.0 {0.51409473312 0.663034783302 0.644813166203} O1 758 -1 1 {} H 0.0 {0.513015325992 0.65279085328 0.642778413052} H1 759 -1 8 {} O 0.0 {0.485623775813 0.662645428574 0.654375323719} O2 760 -1 1 {} H 0.0 {0.478369437625 0.657907718067 0.648452563193} H2 761 -1 8 {} O 0.0 {0.499219937084 0.688850162424 0.648775806605} O3 762 -1 1 {} H 0.0 {0.501750387601 0.694776891801 0.640487585961} H3 763 -1 8 {} O 0.0 {0.491848265579 0.670547239952 0.626078607222} O4 764 -1 1 {} H 0.0 {0.495476055475 0.678874356034 0.620830577517} H4 765 -1 14 {} Si 0.0 {0.571894269654 0.550885181878 0.664090908342} Si1 766 -1 8 {} O 0.0 {0.583483823671 0.559593425426 0.675419573273} O1 767 -1 1 {} H 0.0 {0.593018979842 0.555273614126 0.674646876928} H1 768 -1 8 {} O 0.0 {0.56515916941 0.562848844914 0.651842759732} O2 769 -1 1 {} H 0.0 {0.561979824251 0.557664500125 0.643282628389} H2 770 -1 8 {} O 0.0 {0.580876545845 0.53746655939 0.655256248974} O3 771 -1 1 {} H 0.0 {0.575409098041 0.528533105388 0.655992961685} H3 772 -1 8 {} O 0.0 {0.558059889367 0.543645046554 0.673837864924} O4 773 -1 1 {} H 0.0 {0.55791901262 0.533231705406 0.672502951854} H4 774 -1 14 {} Si 0.0 {0.636167960587 0.444742336911 0.660840688679} Si1 775 -1 8 {} O 0.0 {0.642949873744 0.441780793325 0.677689531465} O1 776 -1 1 {} H 0.0 {0.64168447355 0.450403487422 0.301256381199} H1 777 -1 8 {} O 0.0 {0.628725516937 0.461558646858 0.660074552243} O2 778 -1 1 {} H 0.0 {0.632770146039 0.466789874463 0.651912389412} H2 779 -1 8 {} O 0.0 {0.649711683475 0.443481034873 0.648450461824} O3 780 -1 1 {} H 0.0 {0.648095989223 0.435083044249 0.642360087853} H3 781 -1 8 {} O 0.0 {0.623291931265 0.43213819853 0.657138261963} O4 782 -1 1 {} H 0.0 {0.624930877184 0.428199563337 0.647546340596} H4 783 -1 14 {} Si 0.0 {0.413503922718 0.541554307124 0.434450483266} Si1 784 -1 8 {} O 0.0 {0.396063878059 0.536511871183 0.431394220088} O1 785 -1 1 {} H 0.0 {0.395831458311 0.52899778325 0.424065012592} H1 786 -1 8 {} O 0.0 {0.415645418382 0.559266698715 0.429993717983} O2 787 -1 1 {} H 0.0 {0.42497763988 0.56058820032 0.42536567427} H2 788 -1 8 {} O 0.0 {0.417544561573 0.539185582281 0.452236111312} O3 789 -1 1 {} H 0.0 {0.423506819793 0.547168826961 0.455546403339} H3 790 -1 8 {} O 0.0 {0.424784101741 0.531267399271 0.42418711307} O4 791 -1 1 {} H 0.0 {0.434742162331 0.533934624496 0.426216676843} H4 792 -1 14 {} Si 0.0 {0.43503069507 0.373975772458 0.383920225182} Si1 793 -1 8 {} O 0.0 {0.438853342255 0.356078152363 0.385765470675} O1 794 -1 1 {} H 0.0 {0.442858475623 0.352424100683 0.376778180701} H1 795 -1 8 {} O 0.0 {0.428717425067 0.377180793729 0.366931669474} O2 796 -1 1 {} H 0.0 {0.431898245458 0.38667199265 0.363762782706} H2 797 -1 8 {} O 0.0 {0.422248342748 0.378811648625 0.396243525025} O3 798 -1 1 {} H 0.0 {0.423906070827 0.38871898541 0.399282805668} H3 799 -1 8 {} O 0.0 {0.45031292037 0.38382466748 0.386740907314} O4 800 -1 1 {} H 0.0 {0.458722309024 0.377832053422 0.384842418084} H4 801 -1 14 {} Si 0.0 {0.624779246642 0.596736884208 0.619834611031} Si1 802 -1 8 {} O 0.0 {0.619019591726 0.614208538842 0.620095350762} O1 803 -1 1 {} H 0.0 {0.625924811792 0.620077702746 0.625393217864} H1 804 -1 8 {} O 0.0 {0.642921935686 0.596302308225 0.616832118794} O2 805 -1 1 {} H 0.0 {0.644763532478 0.59279252187 0.60711160128} H2 806 -1 8 {} O 0.0 {0.621066256748 0.588817640532 0.636010778333} O3 807 -1 1 {} H 0.0 {0.6268772375 0.580131843572 0.637055616144} H3 808 -1 8 {} O 0.0 {0.616113664262 0.587618273953 0.606407474268} O4 809 -1 1 {} H 0.0 {0.606949945553 0.583972867192 0.610016397992} H4 810 -1 14 {} Si 0.0 {0.380709432732 0.37464799181 0.340154060462} Si1 811 -1 8 {} O 0.0 {0.390457154416 0.370258180776 0.355125061697} O1 812 -1 1 {} H 0.0 {0.396203293667 0.378530729982 0.358095606609} H1 813 -1 8 {} O 0.0 {0.363326987644 0.37825989037 0.345001130408} O2 814 -1 1 {} H 0.0 {0.357356527337 0.369831623873 0.343121323496} H2 815 -1 8 {} O 0.0 {0.388060266465 0.389511061182 0.332201485254} O3 816 -1 1 {} H 0.0 {0.39177582962 0.386916496804 0.32273006278} H3 817 -1 8 {} O 0.0 {0.380996306417 0.360576362042 0.328295729036} O4 818 -1 1 {} H 0.0 {0.390513361551 0.359906687507 0.323904790428} H4 819 -1 14 {} Si 0.0 {0.465067862384 0.570214350345 0.31962447777} Si1 820 -1 8 {} O 0.0 {0.464097814901 0.587378530349 0.32615185701} O1 821 -1 1 {} H 0.0 {0.459646254969 0.59359172058 0.318958642942} H1 822 -1 8 {} O 0.0 {0.459912319574 0.570080333508 0.301957827491} O2 823 -1 1 {} H 0.0 {0.468437899301 0.569911022313 0.678107282838} H2 824 -1 8 {} O 0.0 {0.482371327871 0.564100822488 0.321026938891} O3 825 -1 1 {} H 0.0 {0.482493552216 0.553671494006 0.319865179075} H3 826 -1 8 {} O 0.0 {0.453879070218 0.559312930483 0.329357849647} O4 827 -1 1 {} H 0.0 {0.458989260501 0.550532639727 0.33199773427} H4 828 -1 14 {} Si 0.0 {0.377289826793 0.485570833854 0.567622118088} Si1 829 -1 8 {} O 0.0 {0.364743721968 0.472194883449 0.567755028004} O1 830 -1 1 {} H 0.0 {0.367421362966 0.464966927446 0.574891253343} H1 831 -1 8 {} O 0.0 {0.387920592194 0.483872193316 0.55270668789} O2 832 -1 1 {} H 0.0 {0.398006907506 0.483889551978 0.555596154912} H2 833 -1 8 {} O 0.0 {0.368824779637 0.501894190256 0.567281844916} O3 834 -1 1 {} H 0.0 {0.368764145187 0.505996077195 0.576942849862} H3 835 -1 8 {} O 0.0 {0.387658469887 0.484306619557 0.582761523891} O4 836 -1 1 {} H 0.0 {0.392106268395 0.49359817957 0.584725844386} H4 837 -1 14 {} Si 0.0 {0.603899678646 0.420570064247 0.446931011981} Si1 838 -1 8 {} O 0.0 {0.60047908396 0.41552272705 0.464280860813} O1 839 -1 1 {} H 0.0 {0.607004127482 0.42061123693 0.470737586884} H1 840 -1 8 {} O 0.0 {0.600531253226 0.406410357193 0.435663525024} O2 841 -1 1 {} H 0.0 {0.60412565787 0.397554764086 0.440016802791} H2 842 -1 8 {} O 0.0 {0.593056357744 0.434741709727 0.44240476336} O3 843 -1 1 {} H 0.0 {0.595374341868 0.437941767712 0.432677159002} H3 844 -1 8 {} O 0.0 {0.621536667865 0.425602779077 0.445391178313} O4 845 -1 1 {} H 0.0 {0.624115444836 0.426225461183 0.435236428901} H4 846 -1 14 {} Si 0.0 {0.564657635998 0.41863344001 0.371564047242} Si1 847 -1 8 {} O 0.0 {0.577010436293 0.427066707352 0.360848608153} O1 848 -1 1 {} H 0.0 {0.573456506749 0.436603289352 0.358270266665} H1 849 -1 8 {} O 0.0 {0.549554595873 0.429059750305 0.372884794396} O2 850 -1 1 {} H 0.0 {0.552143785967 0.438473146927 0.376749143515} H2 851 -1 8 {} O 0.0 {0.560255102139 0.402355039265 0.364201619381} O3 852 -1 1 {} H 0.0 {0.554018095529 0.397109076165 0.370818016525} H3 853 -1 8 {} O 0.0 {0.571811013624 0.416054826041 0.388321026947} O4 854 -1 1 {} H 0.0 {0.580949640502 0.410958376943 0.38746540697} H4 855 -1 14 {} Si 0.0 {0.389410732239 0.459032674445 0.343596269697} Si1 856 -1 8 {} O 0.0 {0.377617342978 0.444905525405 0.343602344349} O1 857 -1 1 {} H 0.0 {0.37818034443 0.439897394747 0.352808167128} H1 858 -1 8 {} O 0.0 {0.398999722247 0.458994758143 0.327909857685} O2 859 -1 1 {} H 0.0 {0.407278462121 0.465380866212 0.328874358571} H2 860 -1 8 {} O 0.0 {0.380071844408 0.474825119793 0.345049696055} O3 861 -1 1 {} H 0.0 {0.379301970105 0.479308538412 0.335586848259} H3 862 -1 8 {} O 0.0 {0.400975214205 0.457400940487 0.357814870766} O4 863 -1 1 {} H 0.0 {0.395974276173 0.459910651194 0.366687588082} H4 864 -1 14 {} Si 0.0 {0.623752258786 0.580255328918 0.440322364666} Si1 865 -1 8 {} O 0.0 {0.612163293064 0.591906986192 0.432046750341} O1 866 -1 1 {} H 0.0 {0.603336948367 0.586825856536 0.429503419501} H1 867 -1 8 {} O 0.0 {0.619104719625 0.562954755142 0.436123735205} O2 868 -1 1 {} H 0.0 {0.618187132492 0.557351608941 0.444952852746} H2 869 -1 8 {} O 0.0 {0.640914501095 0.583558806299 0.434580679319} O3 870 -1 1 {} H 0.0 {0.645320879141 0.590817300583 0.440757155314} H3 871 -1 8 {} O 0.0 {0.622835393136 0.582611415413 0.458543016608} O4 872 -1 1 {} H 0.0 {0.626605968893 0.592090751108 0.461024992399} H4 873 -1 14 {} Si 0.0 {0.47318734731 0.510959620957 0.435370983655} Si1 874 -1 8 {} O 0.0 {0.476796776126 0.51009255184 0.453384762088} O1 875 -1 1 {} H 0.0 {0.487153806513 0.509181527758 0.454817596535} H1 876 -1 8 {} O 0.0 {0.463148354419 0.496351260458 0.4304350628} O2 877 -1 1 {} H 0.0 {0.469544336923 0.48839025902 0.427995097737} H2 878 -1 8 {} O 0.0 {0.463809839739 0.526371488435 0.431716647155} O3 879 -1 1 {} H 0.0 {0.456254330619 0.52428566159 0.424725796699} H3 880 -1 8 {} O 0.0 {0.489001746561 0.511010164976 0.425957524011} O4 881 -1 1 {} H 0.0 {0.489068214437 0.519104296868 0.419298109544} H4 882 -1 14 {} Si 0.0 {0.419293872268 0.645638462317 0.475232242561} Si1 883 -1 8 {} O 0.0 {0.429536774015 0.657431840341 0.484952373012} O1 884 -1 1 {} H 0.0 {0.439512399271 0.654152787392 0.48501460405} H1 885 -1 8 {} O 0.0 {0.419159956502 0.629273268684 0.483629524055} O2 886 -1 1 {} H 0.0 {0.40926354511 0.625875649136 0.484504146147} H2 887 -1 8 {} O 0.0 {0.402081914313 0.652025697972 0.474006418026} O3 888 -1 1 {} H 0.0 {0.396309963128 0.645407049237 0.468246585713} H3 889 -1 8 {} O 0.0 {0.426380760634 0.643833004056 0.458349695939} O4 890 -1 1 {} H 0.0 {0.422418246459 0.651269308346 0.452089375149} H4 891 -1 14 {} Si 0.0 {0.534504610203 0.688793709515 0.384654203727} Si1 892 -1 8 {} O 0.0 {0.552004674578 0.694186776881 0.386394078645} O1 893 -1 1 {} H 0.0 {0.552415394169 0.702806822022 0.392368759373} H1 894 -1 8 {} O 0.0 {0.52759180235 0.695344505213 0.36890807497} O2 895 -1 1 {} H 0.0 {0.525637958466 0.705603904978 0.369954985608} H2 896 -1 8 {} O 0.0 {0.533747548156 0.670402718902 0.384530761837} O3 897 -1 1 {} H 0.0 {0.525782671312 0.667277447946 0.378447734197} H3 898 -1 8 {} O 0.0 {0.524675594897 0.695249493919 0.398797309906} O4 899 -1 1 {} H 0.0 {0.514454499389 0.693854405539 0.396860083372} H4 900 -1 14 {} Si 0.0 {0.471595146944 0.564897858731 0.365263540746} Si1 901 -1 8 {} O 0.0 {0.47090892677 0.577030222912 0.351455410786} O1 902 -1 1 {} H 0.0 {0.469510455239 0.586673742621 0.355353138542} H1 903 -1 8 {} O 0.0 {0.454716926569 0.562549911473 0.372218297085} O2 904 -1 1 {} H 0.0 {0.454630118227 0.55404225237 0.378378226037} H2 905 -1 8 {} O 0.0 {0.477919697342 0.548819904729 0.358962209744} O3 906 -1 1 {} H 0.0 {0.481151084928 0.549993400799 0.349041449026} H3 907 -1 8 {} O 0.0 {0.482833103939 0.571193163422 0.37840995093} O4 908 -1 1 {} H 0.0 {0.492750500328 0.568732742653 0.375992873819} H4 909 -1 14 {} Si 0.0 {0.594039654905 0.571977590352 0.494055144182} Si1 910 -1 8 {} O 0.0 {0.610400714539 0.577412896391 0.487563257634} O1 911 -1 1 {} H 0.0 {0.610137749827 0.587726490425 0.48559704468} H1 912 -1 8 {} O 0.0 {0.580940803131 0.575540917905 0.481629813442} O2 913 -1 1 {} H 0.0 {0.574294412872 0.582664880278 0.485508530544} H2 914 -1 8 {} O 0.0 {0.594468472222 0.553906577149 0.497380593088} O3 915 -1 1 {} H 0.0 {0.587678923712 0.549041432295 0.491015625304} H3 916 -1 8 {} O 0.0 {0.59031590332 0.580995939073 0.509648546275} O4 917 -1 1 {} H 0.0 {0.582415149168 0.576210212961 0.514637598698} H4 918 -1 14 {} Si 0.0 {0.345871842968 0.589033066611 0.572324826708} Si1 919 -1 8 {} O 0.0 {0.35434734699 0.581146778362 0.558031152371} O1 920 -1 1 {} H 0.0 {0.354461594551 0.570733326078 0.559359522812} H1 921 -1 8 {} O 0.0 {0.354429060782 0.60475209993 0.576611609409} O2 922 -1 1 {} H 0.0 {0.347342997502 0.611849057354 0.579719249524} H2 923 -1 8 {} O 0.0 {0.328370881304 0.592579044781 0.567887967479} O3 924 -1 1 {} H 0.0 {0.323052189792 0.583553414657 0.567193997878} H3 925 -1 8 {} O 0.0 {0.346344909272 0.577646831271 0.586768879578} O4 926 -1 1 {} H 0.0 {0.338654855862 0.58017936663 0.593459756646} H4 927 -1 14 {} Si 0.0 {0.400764910263 0.54855224153 0.354278640951} Si1 928 -1 8 {} O 0.0 {0.388260828542 0.561116247086 0.349371663819} O1 929 -1 1 {} H 0.0 {0.387895291889 0.561761042967 0.33889692908} H1 930 -1 8 {} O 0.0 {0.416317847086 0.55139959152 0.344856419754} O2 931 -1 1 {} H 0.0 {0.420328151743 0.542170924522 0.341862297039} H2 932 -1 8 {} O 0.0 {0.404158868651 0.549985881831 0.372305661884} O3 933 -1 1 {} H 0.0 {0.413141186049 0.545040231474 0.374569302981} H3 934 -1 8 {} O 0.0 {0.394311526123 0.531718708479 0.350581260148} O4 935 -1 1 {} H 0.0 {0.401642264146 0.526212933088 0.345470698169} H4 936 -1 14 {} Si 0.0 {0.608145396472 0.335114377084 0.637470537987} Si1 937 -1 8 {} O 0.0 {0.602453099556 0.340436754757 0.654163235414} O1 938 -1 1 {} H 0.0 {0.61032444968 0.34526789605 0.659160644181} H1 939 -1 8 {} O 0.0 {0.624658987308 0.327151545046 0.638863331572} O2 940 -1 1 {} H 0.0 {0.631997438946 0.333714662234 0.63523054354} H2 941 -1 8 {} O 0.0 {0.596105192475 0.705371525659 0.63037556449} O3 942 -1 1 {} H 0.0 {0.600407858301 0.700587797895 0.622097848077} H3 943 -1 8 {} O 0.0 {0.609380689984 0.3497795986 0.626464963256} O4 944 -1 1 {} H 0.0 {0.600153276553 0.351410236288 0.621814780971} H4 945 -1 14 {} Si 0.0 {0.29852745656 0.642862398679 0.589026183204} Si1 946 -1 8 {} O 0.0 {0.309721041055 0.639538705624 0.603317092798} O1 947 -1 1 {} H 0.0 {0.304512608352 0.63409949499 0.610685262995} H1 948 -1 8 {} O 0.0 {0.666142998754 0.652498115753 0.594746416323} O2 949 -1 1 {} H 0.0 {0.664898658805 0.660943746823 0.588629412404} H2 950 -1 8 {} O 0.0 {0.307520796891 0.65241852117 0.576200325346} O3 951 -1 1 {} H 0.0 {0.304863317365 0.648816459976 0.56670676968} H3 952 -1 8 {} O 0.0 {0.67515169471 0.62679670613 0.581843328552} O4 953 -1 1 {} H 0.0 {0.300289583106 0.623037304306 0.575417161113} H4 954 -1 14 {} Si 0.0 {0.510012755022 0.611754069825 0.650877708907} Si1 955 -1 8 {} O 0.0 {0.506191572688 0.60122251239 0.636280574584} O1 956 -1 1 {} H 0.0 {0.507435913207 0.591118863392 0.638848205644} H1 957 -1 8 {} O 0.0 {0.526512793514 0.607161051719 0.657604607443} O2 958 -1 1 {} H 0.0 {0.526049810588 0.606879426406 0.668091143631} H2 959 -1 8 {} O 0.0 {0.510164126471 0.629440337878 0.645807219536} O3 960 -1 1 {} H 0.0 {0.519760699388 0.633420164067 0.647324890032} H3 961 -1 8 {} O 0.0 {0.497181054118 0.609197973846 0.663816039047} O4 962 -1 1 {} H 0.0 {0.493834021836 0.618521657842 0.667300002057} H4 963 -1 14 {} Si 0.0 {0.668899426474 0.480804364538 0.425084058528} Si1 964 -1 8 {} O 0.0 {0.301894218016 0.491042910893 0.424147803519} O1 965 -1 1 {} H 0.0 {0.301307178172 0.498830522423 0.431158307129} H1 966 -1 8 {} O 0.0 {0.658467987105 0.483938984409 0.410250394073} O2 967 -1 1 {} H 0.0 {0.652264848845 0.475637310424 0.408530663909} H2 968 -1 8 {} O 0.0 {0.673502276809 0.463000618684 0.425682769969} O3 969 -1 1 {} H 0.0 {0.666322721387 0.457728758431 0.431234643002} H3 970 -1 8 {} O 0.0 {0.659466190035 0.485226232533 0.440251048028} O4 971 -1 1 {} H 0.0 {0.649402083025 0.486865382374 0.437744289521} H4 972 -1 14 {} Si 0.0 {0.386894470977 0.536271880363 0.301587804352} Si1 973 -1 8 {} O 0.0 {0.386801229278 0.554424209135 0.304602328276} O1 974 -1 1 {} H 0.0 {0.396050545937 0.557337741755 0.308625494183} H1 975 -1 8 {} O 0.0 {0.390051471459 0.52744253443 0.317425613635} O2 976 -1 1 {} H 0.0 {0.394692538182 0.533984823976 0.324201959464} H2 977 -1 8 {} O 0.0 {0.370585511405 0.531096985894 0.677086283629} O3 978 -1 1 {} H 0.0 {0.370090922578 0.520614832929 0.676813931261} H3 979 -1 8 {} O 0.0 {0.400139124431 0.53212485696 0.671773698486} O4 980 -1 1 {} H 0.0 {0.401655981794 0.521735656934 0.671691288105} H4 981 -1 14 {} Si 0.0 {0.426294829196 0.486295550963 0.304034667626} Si1 982 -1 8 {} O 0.0 {0.408699900887 0.48145695053 0.30622772768} O1 983 -1 1 {} H 0.0 {0.405892302389 0.483045250042 0.316214208529} H1 984 -1 8 {} O 0.0 {0.437150778902 0.472142616587 0.308532290715} O2 985 -1 1 {} H 0.0 {0.443247321499 0.474863437899 0.316617240255} H2 986 -1 8 {} O 0.0 {0.429261312663 0.490945256583 0.66876841423} O3 987 -1 1 {} H 0.0 {0.432360437529 0.500963503371 0.668304398258} H3 988 -1 8 {} O 0.0 {0.430068325133 0.500652372801 0.314892418968} O4 989 -1 1 {} H 0.0 {0.430341005324 0.509409992818 0.309134623098} H4 990 -1 14 {} Si 0.0 {0.645634520859 0.686248153552 0.62299544288} Si1 991 -1 8 {} O 0.0 {0.631320960679 0.696165479249 0.617070468653} O1 992 -1 1 {} H 0.0 {0.625003882854 0.690071238066 0.611314649013} H1 993 -1 8 {} O 0.0 {0.64921998981 0.672829977803 0.610915881874} O2 994 -1 1 {} H 0.0 {0.642619770182 0.664824036399 0.612536602863} H2 995 -1 8 {} O 0.0 {0.660361775547 0.697145713297 0.624639471063} O3 996 -1 1 {} H 0.0 {0.668008694167 0.691943458862 0.629604370222} H3 997 -1 8 {} O 0.0 {0.641635570809 0.67886693588 0.639366549887} O4 998 -1 1 {} H 0.0 {0.65041710733 0.678087101937 0.64508212171} H4 999 -1 14 {} Si 0.0 {0.495061499508 0.670150671984 0.427720020224} Si1 1000 -1 8 {} O 0.0 {0.505790951702 0.673013268891 0.413040147676} O1 1001 -1 1 {} H 0.0 {0.514085472377 0.678805194818 0.4158545407} H1 1002 -1 8 {} O 0.0 {0.4783174042 0.676988559953 0.424520800199} O2 1003 -1 1 {} H 0.0 {0.473224172052 0.678132057709 0.433620764054} H2 1004 -1 8 {} O 0.0 {0.493727897515 0.652073967517 0.43090412861} O3 1005 -1 1 {} H 0.0 {0.487390013589 0.647730043767 0.42378289722} H3 1006 -1 8 {} O 0.0 {0.502387490327 0.678528956848 0.442403548333} O4 1007 -1 1 {} H 0.0 {0.498430470388 0.674333348978 0.451170730578} H4 1008 -1 14 {} Si 0.0 {0.308955344978 0.381782520173 0.661734231394} Si1 1009 -1 8 {} O 0.0 {0.306992637611 0.37598851274 0.67909519388} O1 1010 -1 1 {} H 0.0 {0.679474735187 0.377964345764 0.300082047293} H1 1011 -1 8 {} O 0.0 {0.676151566726 0.377559599323 0.652099389549} O2 1012 -1 1 {} H 0.0 {0.675322304737 0.384049668793 0.643886323577} H2 1013 -1 8 {} O 0.0 {0.311411464632 0.40001016724 0.66159285003} O3 1014 -1 1 {} H 0.0 {0.318749564918 0.402480324269 0.654504058273} H3 1015 -1 8 {} O 0.0 {0.323546776115 0.373574840197 0.654131167363} O4 1016 -1 1 {} H 0.0 {0.328261470232 0.38025889322 0.647548010581} H4 1017 -1 14 {} Si 0.0 {0.355316233441 0.327402199111 0.5070129052} Si1 1018 -1 8 {} O 0.0 {0.353528888754 0.691722840856 0.503476927646} O1 1019 -1 1 {} H 0.0 {0.346847961432 0.687457428827 0.510350423773} H1 1020 -1 8 {} O 0.0 {0.372803513444 0.331162582155 0.511149887033} O2 1021 -1 1 {} H 0.0 {0.373083197782 0.337930840096 0.519186276703} H2 1022 -1 8 {} O 0.0 {0.350268001664 0.337096239579 0.492217948703} O3 1023 -1 1 {} H 0.0 {0.342367798999 0.343509750809 0.494779861881} H3 1024 -1 8 {} O 0.0 {0.344671599542 0.331949871846 0.521255604247} O4 1025 -1 1 {} H 0.0 {0.350575106629 0.332803099023 0.529883190813} H4 1026 -1 14 {} Si 0.0 {0.545258048951 0.66206070101 0.465908006548} Si1 1027 -1 8 {} O 0.0 {0.540700383998 0.670077287202 0.449979692577} O1 1028 -1 1 {} H 0.0 {0.546615979287 0.67864207933 0.448566237458} H1 1029 -1 8 {} O 0.0 {0.530252627484 0.654754980055 0.473633801577} O2 1030 -1 1 {} H 0.0 {0.531098278802 0.655288855947 0.484078197297} H2 1031 -1 8 {} O 0.0 {0.557601533219 0.648780467456 0.462778577519} O3 1032 -1 1 {} H 0.0 {0.566303726441 0.650739115843 0.468307477553} H3 1033 -1 8 {} O 0.0 {0.552480292902 0.674626586357 0.477240095204} O4 1034 -1 1 {} H 0.0 {0.562953857036 0.674112789117 0.476796495664} H4 1035 -1 14 {} Si 0.0 {0.613724264611 0.555130732232 0.336870618812} Si1 1036 -1 8 {} O 0.0 {0.60210367258 0.543860286873 0.328123085049} O1 1037 -1 1 {} H 0.0 {0.596201186903 0.549429226107 0.321459666998} H1 1038 -1 8 {} O 0.0 {0.616219916373 0.570353759386 0.32684651677} O2 1039 -1 1 {} H 0.0 {0.621829610595 0.577292671927 0.332380125631} H2 1040 -1 8 {} O 0.0 {0.606694560955 0.559654924884 0.353262411717} O3 1041 -1 1 {} H 0.0 {0.610147217361 0.56917677664 0.35602878405} H3 1042 -1 8 {} O 0.0 {0.629878943679 0.546652796189 0.339259308868} O4 1043 -1 1 {} H 0.0 {0.629903748639 0.541740228435 0.348538505343} H4 1044 -1 14 {} Si 0.0 {0.463172058782 0.431370622391 0.453731159259} Si1 1045 -1 8 {} O 0.0 {0.481218600701 0.429048631181 0.456441849888} O1 1046 -1 1 {} H 0.0 {0.486560031794 0.435304634441 0.449914068576} H1 1047 -1 8 {} O 0.0 {0.459721440525 0.431985291864 0.435668750317} O2 1048 -1 1 {} H 0.0 {0.451788933197 0.438616150598 0.433859168787} H2 1049 -1 8 {} O 0.0 {0.453981159244 0.417320620058 0.461267275145} O3 1050 -1 1 {} H 0.0 {0.443668804154 0.419212862083 0.460739264705} H3 1051 -1 8 {} O 0.0 {0.457776290739 0.447130601867 0.461547349809} O4 1052 -1 1 {} H 0.0 {0.450517920009 0.445095365727 0.468858208042} H4 1053 -1 14 {} Si 0.0 {0.627002053511 0.546111889018 0.660594866342} Si1 1054 -1 8 {} O 0.0 {0.615782413691 0.534904997458 0.651273083773} O1 1055 -1 1 {} H 0.0 {0.620175158302 0.53245658054 0.642057928248} H1 1056 -1 8 {} O 0.0 {0.642346082866 0.548929956182 0.65082588978} O2 1057 -1 1 {} H 0.0 {0.650397067096 0.55056849222 0.657361375921} H2 1058 -1 8 {} O 0.0 {0.618547838683 0.562188982898 0.663522773601} O3 1059 -1 1 {} H 0.0 {0.620246479263 0.565271928033 0.673408859619} H3 1060 -1 8 {} O 0.0 {0.631322638658 0.538417991201 0.676750789511} O4 1061 -1 1 {} H 0.0 {0.640650811972 0.542019763372 0.29767908737} H4 1062 -1 14 {} Si 0.0 {0.601053125395 0.644718745748 0.564993195024} Si1 1063 -1 8 {} O 0.0 {0.61479399786 0.639406675399 0.575999632449} O1 1064 -1 1 {} H 0.0 {0.615047310284 0.628927673057 0.576444359711} H1 1065 -1 8 {} O 0.0 {0.588696387086 0.631160874247 0.563525549023} O2 1066 -1 1 {} H 0.0 {0.582309090332 0.63134033756 0.571834022341} H2 1067 -1 8 {} O 0.0 {0.592958796567 0.659657861205 0.572023034985} O3 1068 -1 1 {} H 0.0 {0.597955987942 0.668243708382 0.568631155865} H3 1069 -1 8 {} O 0.0 {0.607738692811 0.648670010785 0.54836631311} O4 1070 -1 1 {} H 0.0 {0.616998328849 0.643902814732 0.547095616595} H4 1071 -1 14 {} Si 0.0 {0.421623627194 0.618431330286 0.62631162461} Si1 1072 -1 8 {} O 0.0 {0.417379175666 0.60987391127 0.61058091334} O1 1073 -1 1 {} H 0.0 {0.423257924671 0.613755928398 0.602800031212} H1 1074 -1 8 {} O 0.0 {0.412176609003 0.63417958144 0.627469646857} O2 1075 -1 1 {} H 0.0 {0.4112115969 0.636934933065 0.637555736391} H2 1076 -1 8 {} O 0.0 {0.417275418616 0.607608318301 0.640540069259} O3 1077 -1 1 {} H 0.0 {0.423137467344 0.610237726312 0.648839522894} H3 1078 -1 8 {} O 0.0 {0.439660288035 0.62206721591 0.62665545926} O4 1079 -1 1 {} H 0.0 {0.444715418771 0.615224289083 0.620506965156} H4 1080 -1 14 {} Si 0.0 {0.591794925963 0.371000883754 0.613140005115} Si1 1081 -1 8 {} O 0.0 {0.603219038811 0.369491297776 0.598790396888} O1 1082 -1 1 {} H 0.0 {0.608419980257 0.378528739964 0.597508832906} H1 1083 -1 8 {} O 0.0 {0.577740497479 0.381995565926 0.608678280431} O2 1084 -1 1 {} H 0.0 {0.580096942411 0.391884745563 0.611250181545} H2 1085 -1 8 {} O 0.0 {0.58530868614 0.354380802664 0.617634221277} O3 1086 -1 1 {} H 0.0 {0.583756250137 0.3539375335 0.628013833246} H3 1087 -1 8 {} O 0.0 {0.600888743863 0.378134396172 0.627455931172} O4 1088 -1 1 {} H 0.0 {0.596062665023 0.375406613169 0.636370776966} H4 1089 -1 14 {} Si 0.0 {0.505921531579 0.483340270002 0.339696481307} Si1 1090 -1 8 {} O 0.0 {0.496021246188 0.482560151827 0.324215882514} O1 1091 -1 1 {} H 0.0 {0.49601405288 0.47272156125 0.320565651535} H1 1092 -1 8 {} O 0.0 {0.517153876949 0.468802048614 0.340519838452} O2 1093 -1 1 {} H 0.0 {0.521076325013 0.467979983066 0.350216976614} H2 1094 -1 8 {} O 0.0 {0.515890394034 0.498808144433 0.339870162773} O3 1095 -1 1 {} H 0.0 {0.518649848597 0.501064432237 0.349748635574} H3 1096 -1 8 {} O 0.0 {0.494611944499 0.483187094783 0.354195429585} O4 1097 -1 1 {} H 0.0 {0.496247971074 0.491792800106 0.359981481177} H4 1098 -1 14 {} Si 0.0 {0.595862813315 0.480687464292 0.622466720306} Si1 1099 -1 8 {} O 0.0 {0.58765819153 0.480453367557 0.638912756174} O1 1100 -1 1 {} H 0.0 {0.580947945154 0.47238734929 0.639336959093} H1 1101 -1 8 {} O 0.0 {0.587766261254 0.468419047902 0.611417636376} O2 1102 -1 1 {} H 0.0 {0.594330847998 0.46040896211 0.609709120792} H2 1103 -1 8 {} O 0.0 {0.594382712507 0.497489848814 0.615119082346} O3 1104 -1 1 {} H 0.0 {0.60157767526 0.498635112694 0.607565436069} H3 1105 -1 8 {} O 0.0 {0.613637837654 0.47637617418 0.62441528679} O4 1106 -1 1 {} H 0.0 {0.615968810071 0.468291228592 0.618131308689} H4 1107 -1 14 {} Si 0.0 {0.675505472508 0.568020829781 0.391369857755} Si1 1108 -1 8 {} O 0.0 {0.300414023816 0.574522386458 0.375711505735} O1 1109 -1 1 {} H 0.0 {0.303551629218 0.584438206974 0.377157890312} H1 1110 -1 8 {} O 0.0 {0.664788909461 0.553550612484 0.387652674649} O2 1111 -1 1 {} H 0.0 {0.654719484236 0.556451256694 0.388173118971} H2 1112 -1 8 {} O 0.0 {0.306785949405 0.562818889097 0.402655877227} O3 1113 -1 1 {} H 0.0 {0.30267535079 0.558562006083 0.411314070803} H3 1114 -1 8 {} O 0.0 {0.665489827444 0.581169995536 0.399458762801} O4 1115 -1 1 {} H 0.0 {0.6565431613 0.577019149433 0.403056140219} H4 1116 -1 14 {} Si 0.0 {0.575295577556 0.405341984713 0.6448405327} Si1 1117 -1 8 {} O 0.0 {0.57497595672 0.423577944756 0.647251487727} O1 1118 -1 1 {} H 0.0 {0.579815509079 0.425986875389 0.656245967376} H1 1119 -1 8 {} O 0.0 {0.574728887976 0.396977270756 0.661202044129} O2 1120 -1 1 {} H 0.0 {0.566585695775 0.390369608455 0.661450499071} H2 1121 -1 8 {} O 0.0 {0.560728628916 0.400223872211 0.634809643898} O3 1122 -1 1 {} H 0.0 {0.563653950395 0.398913456403 0.624811803577} H3 1123 -1 8 {} O 0.0 {0.590758031541 0.400575806949 0.6361283691} O4 1124 -1 1 {} H 0.0 {0.590033056326 0.390609195387 0.632962097122} H4 1125 -1 14 {} Si 0.0 {0.555520608214 0.352368708935 0.568288652648} Si1 1126 -1 8 {} O 0.0 {0.561182685616 0.362598256991 0.554084762063} O1 1127 -1 1 {} H 0.0 {0.554913473025 0.37095925365 0.553094884189} H1 1128 -1 8 {} O 0.0 {0.541288689599 0.341950343579 0.563051596846} O2 1129 -1 1 {} H 0.0 {0.535323285055 0.339745837954 0.571403241758} H2 1130 -1 8 {} O 0.0 {0.569295441726 0.341550094616 0.573933514297} O3 1131 -1 1 {} H 0.0 {0.566419136292 0.336525578891 0.582690688133} H3 1132 -1 8 {} O 0.0 {0.550312531192 0.363381002175 0.58208242568} O4 1133 -1 1 {} H 0.0 {0.553333189822 0.359191568198 0.591220707125} H4 1134 -1 14 {} Si 0.0 {0.495639485953 0.556365136959 0.499898509016} Si1 1135 -1 8 {} O 0.0 {0.499608713029 0.541088027947 0.490436422447} O1 1136 -1 1 {} H 0.0 {0.490692544026 0.536313404556 0.487618561239} H1 1137 -1 8 {} O 0.0 {0.483151903561 0.552501814282 0.512820426418} O2 1138 -1 1 {} H 0.0 {0.486291510443 0.556485221248 0.52200983446} H2 1139 -1 8 {} O 0.0 {0.510914901828 0.562780275354 0.507884687143} O3 1140 -1 1 {} H 0.0 {0.513965479177 0.571562087239 0.503018077154} H3 1141 -1 8 {} O 0.0 {0.488883337523 0.569093803146 0.488458745024} O4 1142 -1 1 {} H 0.0 {0.496124577817 0.576522343634 0.48683920751} H4 1143 -1 14 {} Si 0.0 {0.502664860783 0.371192270785 0.492242877607} Si1 1144 -1 8 {} O 0.0 {0.510298477151 0.357752756269 0.482261900243} O1 1145 -1 1 {} H 0.0 {0.502766716505 0.351368796629 0.478672977104} H1 1146 -1 8 {} O 0.0 {0.48698022878 0.365143556949 0.499684245696} O2 1147 -1 1 {} H 0.0 {0.479154008051 0.366395241243 0.492797003591} H2 1148 -1 8 {} O 0.0 {0.514250326049 0.376268884729 0.505612602784} O3 1149 -1 1 {} H 0.0 {0.514765609371 0.386748826425 0.505987471227} H3 1150 -1 8 {} O 0.0 {0.499105048238 0.385606150299 0.481404252602} O4 1151 -1 1 {} H 0.0 {0.489519737656 0.389303009332 0.483575087393} H4 1152 -1 14 {} Si 0.0 {0.647975186604 0.400888103273 0.476894535383} Si1 1153 -1 8 {} O 0.0 {0.63850558634 0.394222302172 0.491200520273} O1 1154 -1 1 {} H 0.0 {0.628234295743 0.394649389174 0.489092737573} H1 1155 -1 8 {} O 0.0 {0.656310607761 0.416524003281 0.48182784958} O2 1156 -1 1 {} H 0.0 {0.654582097424 0.423849875548 0.474510391281} H2 1157 -1 8 {} O 0.0 {0.660606779329 0.388574769464 0.471640007457} O3 1158 -1 1 {} H 0.0 {0.665957370686 0.392346863704 0.46343160715} H3 1159 -1 8 {} O 0.0 {0.63648409365 0.404242114468 0.462915526009} O4 1160 -1 1 {} H 0.0 {0.632459282694 0.395187610924 0.459458240715} H4 1161 -1 14 {} Si 0.0 {0.35682331994 0.405292091832 0.311981209643} Si1 1162 -1 8 {} O 0.0 {0.370645407135 0.39446834771 0.3064742278} O1 1163 -1 1 {} H 0.0 {0.375418635937 0.390371167152 0.314880488744} H1 1164 -1 8 {} O 0.0 {0.361876621425 0.422924873213 0.310543699377} O2 1165 -1 1 {} H 0.0 {0.364554265927 0.426563954527 0.320022554521} H2 1166 -1 8 {} O 0.0 {0.342076318675 0.40226230729 0.301403259761} O3 1167 -1 1 {} H 0.0 {0.333398050572 0.404946815907 0.306671095899} H3 1168 -1 8 {} O 0.0 {0.35269359764 0.401503702793 0.329495912601} O4 1169 -1 1 {} H 0.0 {0.35522802684 0.391536157325 0.331597695156} H4 1170 -1 14 {} Si 0.0 {0.649529477819 0.585630551102 0.358357599358} Si1 1171 -1 8 {} O 0.0 {0.644437639441 0.600639042782 0.349010451946} O1 1172 -1 1 {} H 0.0 {0.642142663617 0.608340980662 0.355764684718} H1 1173 -1 8 {} O 0.0 {0.643733535713 0.570598362539 0.349471586688} O2 1174 -1 1 {} H 0.0 {0.648310980767 0.562110634914 0.353624859728} H2 1175 -1 8 {} O 0.0 {0.667868500882 0.585228712218 0.359775517236} O3 1176 -1 1 {} H 0.0 {0.671964481185 0.581327982113 0.350929573518} H3 1177 -1 8 {} O 0.0 {0.642080419692 0.58605475207 0.375174004057} O4 1178 -1 1 {} H 0.0 {0.649710814066 0.586698687953 0.382353122485} H4 1179 -1 14 {} Si 0.0 {0.600652139784 0.701689684414 0.655068415121} Si1 1180 -1 8 {} O 0.0 {0.594049600955 0.702209701784 0.672144132845} O1 1181 -1 1 {} H 0.0 {0.591524354016 0.329843022055 0.674595915289} H1 1182 -1 8 {} O 0.0 {0.589896902166 0.329571617724 0.644136991106} O2 1183 -1 1 {} H 0.0 {0.582667210763 0.334479764701 0.649946370247} H2 1184 -1 8 {} O 0.0 {0.617753026587 0.326188571524 0.654979307479} O3 1185 -1 1 {} H 0.0 {0.622732170067 0.705467988762 0.663736263467} H3 1186 -1 8 {} O 0.0 {0.600888825697 0.684288237305 0.649068293371} O4 1187 -1 1 {} H 0.0 {0.610756883267 0.681525375432 0.646768027395} H4 1188 -1 14 {} Si 0.0 {0.416140621832 0.407874740065 0.318676473361} Si1 1189 -1 8 {} O 0.0 {0.40227230688 0.401237472798 0.328759600905} O1 1190 -1 1 {} H 0.0 {0.398208681461 0.40895158014 0.334608070481} H1 1191 -1 8 {} O 0.0 {0.424056203507 0.394148650208 0.309310276146} O2 1192 -1 1 {} H 0.0 {0.424990091623 0.396890627789 0.299218694201} H2 1193 -1 8 {} O 0.0 {0.409678894804 0.420441158089 0.306895377057} O3 1194 -1 1 {} H 0.0 {0.409820535555 0.429895878322 0.311461356649} H3 1195 -1 8 {} O 0.0 {0.428545379666 0.41569913632 0.32977011271} O4 1196 -1 1 {} H 0.0 {0.423677205163 0.422287202013 0.336338626293} H4 1197 -1 14 {} Si 0.0 {0.353455636929 0.44250495734 0.557442752376} Si1 1198 -1 8 {} O 0.0 {0.335591016065 0.439631145994 0.554226942172} O1 1199 -1 1 {} H 0.0 {0.333422967231 0.442046953392 0.54425294944} H1 1200 -1 8 {} O 0.0 {0.363181912881 0.438259160696 0.542410800074} O2 1201 -1 1 {} H 0.0 {0.372901070051 0.435450770241 0.545222507914} H2 1202 -1 8 {} O 0.0 {0.356102515448 0.460171615079 0.561658258528} O3 1203 -1 1 {} H 0.0 {0.350084197921 0.46617528618 0.555507697307} H3 1204 -1 8 {} O 0.0 {0.358933360146 0.431961001263 0.571478433969} O4 1205 -1 1 {} H 0.0 {0.350847849314 0.430329207199 0.577975372189} H4 1206 -1 14 {} Si 0.0 {0.425777608364 0.473734788219 0.562449811336} Si1 1207 -1 8 {} O 0.0 {0.420526200206 0.473273932674 0.5800653469} O1 1208 -1 1 {} H 0.0 {0.415457549923 0.464286403578 0.581945892968} H1 1209 -1 8 {} O 0.0 {0.414488452248 0.463220886254 0.552419055546} O2 1210 -1 1 {} H 0.0 {0.416163755956 0.465047567491 0.542219560092} H2 1211 -1 8 {} O 0.0 {0.425108514098 0.49107440174 0.556328727763} O3 1212 -1 1 {} H 0.0 {0.425777094103 0.497677728281 0.564475120968} H3 1213 -1 8 {} O 0.0 {0.442980459085 0.467361552182 0.561002036636} O4 1214 -1 1 {} H 0.0 {0.447105065261 0.470495034044 0.551867582141} H4 1215 -1 14 {} Si 0.0 {0.677484070997 0.682320880008 0.662242437814} Si1 1216 -1 8 {} O 0.0 {0.674924260055 0.692287273675 0.646997613516} O1 1217 -1 1 {} H 0.0 {0.30075105617 0.690814318099 0.64047156545} H1 1218 -1 8 {} O 0.0 {0.300034443179 0.693436180148 0.67608830361} O2 1219 -1 1 {} H 0.0 {0.299963690108 0.688028350789 0.302813545841} H2 1220 -1 8 {} O 0.0 {0.661874993532 0.673572252169 0.666545581749} O3 1221 -1 1 {} H 0.0 {0.662870179293 0.663360667457 0.664314328289} H3 1222 -1 8 {} O 0.0 {0.308568378802 0.670000422482 0.659328768626} O4 1223 -1 1 {} H 0.0 {0.30519546747 0.66046647936 0.662149261616} H4 1224 -1 14 {} Si 0.0 {0.498200974076 0.483247991971 0.490539839615} Si1 1225 -1 8 {} O 0.0 {0.513861650047 0.48483682563 0.481017408649} O1 1226 -1 1 {} H 0.0 {0.51290212974 0.479783876193 0.471883962789} H1 1227 -1 8 {} O 0.0 {0.501981102398 0.477314792676 0.507555383316} O2 1228 -1 1 {} H 0.0 {0.494243397347 0.471035826582 0.510861746465} H2 1229 -1 8 {} O 0.0 {0.489921809156 0.499649842193 0.491472699953} O3 1230 -1 1 {} H 0.0 {0.4930861826 0.504670551542 0.500126748013} H3 1231 -1 8 {} O 0.0 {0.487081492537 0.471221234905 0.482129842214} O4 1232 -1 1 {} H 0.0 {0.486232046576 0.462553099624 0.487984300197} H4 1233 -1 14 {} Si 0.0 {0.390469736341 0.574509660352 0.588882640029} Si1 1234 -1 8 {} O 0.0 {0.407341818525 0.579862934159 0.593900751248} O1 1235 -1 1 {} H 0.0 {0.412325587877 0.583910758115 0.585599131173} H1 1236 -1 8 {} O 0.0 {0.391761415368 0.561938927885 0.57551715379} O2 1237 -1 1 {} H 0.0 {0.382948879799 0.5619933244 0.569813572397} H2 1238 -1 8 {} O 0.0 {0.381796293477 0.567188096404 0.603376045895} O3 1239 -1 1 {} H 0.0 {0.372832068168 0.572380538456 0.605070737047} H3 1240 -1 8 {} O 0.0 {0.3809908286 0.589040168763 0.582727014517} O4 1241 -1 1 {} H 0.0 {0.371957457959 0.589809858682 0.588018861235} H4 1242 -1 14 {} Si 0.0 {0.436260425994 0.400179570145 0.416125035024} Si1 1243 -1 8 {} O 0.0 {0.442624127593 0.385934440232 0.40637173861} O1 1244 -1 1 {} H 0.0 {0.44647982635 0.378673542403 0.412910852877} H1 1245 -1 8 {} O 0.0 {0.418718112997 0.397120529753 0.420765713749} O2 1246 -1 1 {} H 0.0 {0.412442992835 0.400298509154 0.412967584284} H2 1247 -1 8 {} O 0.0 {0.446373784448 0.402158710927 0.431338197742} O3 1248 -1 1 {} H 0.0 {0.444458565502 0.411549983356 0.435606268023} H3 1249 -1 8 {} O 0.0 {0.437341893726 0.415513890747 0.406029357893} O4 1250 -1 1 {} H 0.0 {0.438286792159 0.423815228346 0.412392082042} H4 1251 -1 14 {} Si 0.0 {0.569213166261 0.470858725603 0.664014926378} Si1 1252 -1 8 {} O 0.0 {0.570459425029 0.475166983458 0.29959014609} O1 1253 -1 1 {} H 0.0 {0.578953687099 0.481142811693 0.301150001099} H1 1254 -1 8 {} O 0.0 {0.585065679081 0.474916856675 0.655620806402} O2 1255 -1 1 {} H 0.0 {0.588649173248 0.484110964712 0.659190559851} H2 1256 -1 8 {} O 0.0 {0.565777269476 0.452884342968 0.662263513141} O3 1257 -1 1 {} H 0.0 {0.558194632337 0.451471676138 0.65513257427} H3 1258 -1 8 {} O 0.0 {0.555537894356 0.480449967916 0.656307410885} O4 1259 -1 1 {} H 0.0 {0.547977034271 0.473849291334 0.653198749881} H4 1260 -1 14 {} Si 0.0 {0.38694354019 0.611005876231 0.325772938843} Si1 1261 -1 8 {} O 0.0 {0.383923782214 0.621522097866 0.310978519605} O1 1262 -1 1 {} H 0.0 {0.388029107604 0.631054895985 0.312579549879} H1 1263 -1 8 {} O 0.0 {0.371056069071 0.608089077267 0.334590291207} O2 1264 -1 1 {} H 0.0 {0.372932810597 0.602937023597 0.343545576291} H2 1265 -1 8 {} O 0.0 {0.394068121154 0.594890517078 0.320486958983} O3 1266 -1 1 {} H 0.0 {0.398791109007 0.590314208303 0.328672467215} H3 1267 -1 8 {} O 0.0 {0.398734914315 0.619520374686 0.337038512422} O4 1268 -1 1 {} H 0.0 {0.408264431034 0.61524469514 0.335987664888} H4 1269 -1 14 {} Si 0.0 {0.343456724669 0.672005823981 0.371399261828} Si1 1270 -1 8 {} O 0.0 {0.360323845919 0.677678144712 0.366753830487} O1 1271 -1 1 {} H 0.0 {0.365033745145 0.681862390773 0.375146436637} H1 1272 -1 8 {} O 0.0 {0.342476114583 0.669978728168 0.389664922046} O2 1273 -1 1 {} H 0.0 {0.342303391733 0.65975293524 0.392034960819} H2 1274 -1 8 {} O 0.0 {0.331084082395 0.684487034531 0.365944351118} O3 1275 -1 1 {} H 0.0 {0.321430280792 0.681086725105 0.368284279036} H3 1276 -1 8 {} O 0.0 {0.339952891263 0.655888604183 0.363219741541} O4 1277 -1 1 {} H 0.0 {0.33232946385 0.650905343652 0.368435337468} H4 1278 -1 14 {} Si 0.0 {0.445511601971 0.391358120886 0.318686547888} Si1 1279 -1 8 {} O 0.0 {0.442141651036 0.377448791996 0.307119471046} O1 1280 -1 1 {} H 0.0 {0.440026944895 0.368766302718 0.312626233147} H1 1281 -1 8 {} O 0.0 {0.460399913767 0.38749041973 0.32880043598} O2 1282 -1 1 {} H 0.0 {0.459419700992 0.377891828813 0.332933645247} H2 1283 -1 8 {} O 0.0 {0.448498441226 0.406739859082 0.309041695607} O3 1284 -1 1 {} H 0.0 {0.452845689869 0.413975847404 0.315279124682} H3 1285 -1 8 {} O 0.0 {0.431008888615 0.393764728711 0.329767901792} O4 1286 -1 1 {} H 0.0 {0.432690300291 0.388772080072 0.338851892713} H4 1287 -1 14 {} Si 0.0 {0.316516860643 0.438687748369 0.318278386102} Si1 1288 -1 8 {} O 0.0 {0.328746812012 0.450837240263 0.311853071959} O1 1289 -1 1 {} H 0.0 {0.324854955904 0.460545728673 0.312810179276} H1 1290 -1 8 {} O 0.0 {0.314205291934 0.425213559472 0.30596498996} O2 1291 -1 1 {} H 0.0 {0.30809481847 0.417733193121 0.310084391524} H2 1292 -1 8 {} O 0.0 {0.322676043121 0.431556158896 0.334082176113} O3 1293 -1 1 {} H 0.0 {0.315198403005 0.432338149653 0.34141358964} H3 1294 -1 8 {} O 0.0 {0.300434060751 0.447143207486 0.321211803131} O4 1295 -1 1 {} H 0.0 {0.298599584883 0.447670373235 0.331535714268} H4 1296 -1 14 {} Si 0.0 {0.644566998745 0.44710330587 0.492345575818} Si1 1297 -1 8 {} O 0.0 {0.644943474676 0.444943722563 0.474079956888} O1 1298 -1 1 {} H 0.0 {0.647994572343 0.453923400065 0.469572410145} H1 1299 -1 8 {} O 0.0 {0.628688100421 0.440577107992 0.498972929849} O2 1300 -1 1 {} H 0.0 {0.62712455146 0.444364246602 0.508640795138} H2 1301 -1 8 {} O 0.0 {0.658609558125 0.437910926532 0.499893674113} O3 1302 -1 1 {} H 0.0 {0.655887153724 0.434650254516 0.509494700391} H3 1303 -1 8 {} O 0.0 {0.646029682666 0.464986768488 0.496424770287} O4 1304 -1 1 {} H 0.0 {0.65084617667 0.466068444064 0.505686781362} H4 1305 -1 14 {} Si 0.0 {0.336068781068 0.462320575011 0.602144385823} Si1 1306 -1 8 {} O 0.0 {0.319570813554 0.460138031008 0.609979664722} O1 1307 -1 1 {} H 0.0 {0.313310149408 0.468090115507 0.607188308992} H1 1308 -1 8 {} O 0.0 {0.347400402239 0.470699726496 0.613977116884} O2 1309 -1 1 {} H 0.0 {0.353504655237 0.463535755162 0.618627046119} H2 1310 -1 8 {} O 0.0 {0.342959063362 0.445864161354 0.597646004387} O3 1311 -1 1 {} H 0.0 {0.351313458256 0.447167424082 0.591417066055} H3 1312 -1 8 {} O 0.0 {0.334341536312 0.472587390291 0.586970878349} O4 1313 -1 1 {} H 0.0 {0.343491210321 0.472766826857 0.581817604347} H4 1314 -1 14 {} Si 0.0 {0.4252854413 0.605053442455 0.301156294643} Si1 1315 -1 8 {} O 0.0 {0.421784395085 0.608438199255 0.318895919099} O1 1316 -1 1 {} H 0.0 {0.426826023572 0.617165481862 0.321839634598} H1 1317 -1 8 {} O 0.0 {0.425110022439 0.586887927081 0.29822386736} O2 1318 -1 1 {} H 0.0 {0.434976198589 0.583408484798 0.297295790991} H2 1319 -1 8 {} O 0.0 {0.412420288123 0.613078958872 0.672999932562} O3 1320 -1 1 {} H 0.0 {0.410921246783 0.607383748186 0.664307758539} H3 1321 -1 8 {} O 0.0 {0.441832598918 0.611815645173 0.679056266671} O4 1322 -1 1 {} H 0.0 {0.443023191754 0.611661825891 0.668628192612} H4 1323 -1 14 {} Si 0.0 {0.301052510875 0.518789459232 0.551536306855} Si1 1324 -1 8 {} O 0.0 {0.67368182797 0.533249942173 0.545475130735} O1 1325 -1 1 {} H 0.0 {0.676351475127 0.535303329772 0.535533380726} H1 1326 -1 8 {} O 0.0 {0.309088359484 0.510342648941 0.537302820624} O2 1327 -1 1 {} H 0.0 {0.314272993017 0.50188332844 0.540744906562} H2 1328 -1 8 {} O 0.0 {0.313947091008 0.524530551765 0.563329533553} O3 1329 -1 1 {} H 0.0 {0.310654143491 0.522891461377 0.573160958605} H3 1330 -1 8 {} O 0.0 {0.6720299235 0.507030046309 0.560058110817} O4 1331 -1 1 {} H 0.0 {0.667059080952 0.512001145542 0.56785320767} H4 1332 -1 14 {} Si 0.0 {0.3645958086 0.361181041838 0.541589297648} Si1 1333 -1 8 {} O 0.0 {0.36499693616 0.356480230093 0.559380455008} O1 1334 -1 1 {} H 0.0 {0.355444746896 0.353333347985 0.5623770887} H1 1335 -1 8 {} O 0.0 {0.350144603928 0.353210325405 0.533467641785} O2 1336 -1 1 {} H 0.0 {0.352414725174 0.351319017541 0.52339432946} H2 1337 -1 8 {} O 0.0 {0.363149233151 0.37946291726 0.540112327664} O3 1338 -1 1 {} H 0.0 {0.359370273985 0.381902823988 0.530630075317} H3 1339 -1 8 {} O 0.0 {0.380090535766 0.355571582669 0.533393277546} O4 1340 -1 1 {} H 0.0 {0.387990800228 0.361905008198 0.536158945446} H4 1341 -1 14 {} Si 0.0 {0.578524871934 0.410216790505 0.569454009389} Si1 1342 -1 8 {} O 0.0 {0.572639960807 0.399267921872 0.555891753887} O1 1343 -1 1 {} H 0.0 {0.565483594043 0.392576258974 0.559674007703} H1 1344 -1 8 {} O 0.0 {0.594006837618 0.403381830311 0.576594026732} O2 1345 -1 1 {} H 0.0 {0.595980856012 0.408122245108 0.585748823141} H2 1346 -1 8 {} O 0.0 {0.581789428713 0.427047679185 0.562801628095} O3 1347 -1 1 {} H 0.0 {0.586490042532 0.432856101097 0.570180842812} H3 1348 -1 8 {} O 0.0 {0.565660066822 0.41119369214 0.582560010832} O4 1349 -1 1 {} H 0.0 {0.556733810173 0.414838216642 0.578412812247} H4 1350 -1 14 {} Si 0.0 {0.366143635221 0.332594621733 0.354417921363} Si1 1351 -1 8 {} O 0.0 {0.373485429758 0.349439265427 0.353740995528} O1 1352 -1 1 {} H 0.0 {0.368285525844 0.355219655624 0.346687345087} H1 1353 -1 8 {} O 0.0 {0.379596932761 0.702352039754 0.355457070657} O2 1354 -1 1 {} H 0.0 {0.387227174777 0.704863091892 0.348694145669} H2 1355 -1 8 {} O 0.0 {0.35532493161 0.331233977365 0.369249087176} O3 1356 -1 1 {} H 0.0 {0.348073849056 0.70609228746 0.367617215786} H3 1357 -1 8 {} O 0.0 {0.35618086396 0.329654466319 0.339219386693} O4 1358 -1 1 {} H 0.0 {0.351051029768 0.702810733197 0.340111416239} H4 1359 -1 14 {} Si 0.0 {0.374413709039 0.563397942767 0.536894739803} Si1 1360 -1 8 {} O 0.0 {0.372213492992 0.576112783972 0.55000471476} O1 1361 -1 1 {} H 0.0 {0.37830051945 0.584397391053 0.547882890266} H1 1362 -1 8 {} O 0.0 {0.391598736506 0.55683975167 0.537543682396} O2 1363 -1 1 {} H 0.0 {0.395569316172 0.556484553931 0.527832572211} H2 1364 -1 8 {} O 0.0 {0.362492552156 0.549646259894 0.539630129159} O3 1365 -1 1 {} H 0.0 {0.36399302845 0.542228002901 0.532356429444} H3 1366 -1 8 {} O 0.0 {0.371352029357 0.571004797263 0.52041193473} O4 1367 -1 1 {} H 0.0 {0.373034588914 0.563864961882 0.512904659471} H4 1368 -1 14 {} Si 0.0 {0.490982859063 0.622697648713 0.375494098054} Si1 1369 -1 8 {} O 0.0 {0.478531888343 0.632603501871 0.366252526461} O1 1370 -1 1 {} H 0.0 {0.4834167464 0.638524561248 0.359081835025} H1 1371 -1 8 {} O 0.0 {0.50419584263 0.633839246133 0.381787302548} O2 1372 -1 1 {} H 0.0 {0.509096863598 0.638356885557 0.373677250863} H2 1373 -1 8 {} O 0.0 {0.482833987908 0.614234748234 0.389670309093} O3 1374 -1 1 {} H 0.0 {0.475082003926 0.608120977495 0.386103479295} H3 1375 -1 8 {} O 0.0 {0.498389345428 0.610134942189 0.3642597035} O4 1376 -1 1 {} H 0.0 {0.496314982057 0.600516725254 0.367922356313} H4 1377 -1 14 {} Si 0.0 {0.621637508735 0.359305454135 0.325797948386} Si1 1378 -1 8 {} O 0.0 {0.603896928761 0.362099770902 0.329776945672} O1 1379 -1 1 {} H 0.0 {0.598043977841 0.354925177976 0.324826138676} H1 1380 -1 8 {} O 0.0 {0.625028278469 0.364985995426 0.308619339186} O2 1381 -1 1 {} H 0.0 {0.634094111513 0.360863025533 0.305302406202} H2 1382 -1 8 {} O 0.0 {0.632132189583 0.368774234439 0.337579843623} O3 1383 -1 1 {} H 0.0 {0.64111279997 0.363579441379 0.339200620632} H3 1384 -1 8 {} O 0.0 {0.625475473384 0.34136321813 0.327227789041} O4 1385 -1 1 {} H 0.0 {0.630686443496 0.338214219488 0.318679133563} H4 1386 -1 14 {} Si 0.0 {0.64102751026 0.686832932307 0.557248167269} Si1 1387 -1 8 {} O 0.0 {0.650236339666 0.680738076439 0.57197654123} O1 1388 -1 1 {} H 0.0 {0.660536459441 0.682071311521 0.570449965188} H1 1389 -1 8 {} O 0.0 {0.635924247687 0.672536023527 0.546856745122} O2 1390 -1 1 {} H 0.0 {0.632967218606 0.664602197857 0.553055369915} H2 1391 -1 8 {} O 0.0 {0.626081499354 0.696061231801 0.562748073029} O3 1392 -1 1 {} H 0.0 {0.624409776949 0.704162954415 0.55628456688} H3 1393 -1 8 {} O 0.0 {0.651859003772 0.697989362674 0.547406498294} O4 1394 -1 1 {} H 0.0 {0.651707088659 0.695004935706 0.537342343703} H4 1395 -1 14 {} Si 0.0 {0.41402145301 0.545595186708 0.580854430361} Si1 1396 -1 8 {} O 0.0 {0.407503805921 0.55341165667 0.596182411198} O1 1397 -1 1 {} H 0.0 {0.41552542796 0.556192996718 0.602362936523} H1 1398 -1 8 {} O 0.0 {0.429975991474 0.553511777226 0.576248973489} O2 1399 -1 1 {} H 0.0 {0.428540031301 0.559601981145 0.567817137498} H2 1400 -1 8 {} O 0.0 {0.416711596701 0.527630905261 0.583793199886} O3 1401 -1 1 {} H 0.0 {0.41507454533 0.522353926533 0.574865073399} H3 1402 -1 8 {} O 0.0 {0.401899963679 0.547828935825 0.567192761843} O4 1403 -1 1 {} H 0.0 {0.405597463459 0.554902792679 0.56036995431} H4 1404 -1 14 {} Si 0.0 {0.515095624516 0.374679660115 0.588376552183} Si1 1405 -1 8 {} O 0.0 {0.501598724386 0.371982316115 0.57614473786} O1 1406 -1 1 {} H 0.0 {0.495682133384 0.380626369548 0.575506722145} H1 1407 -1 8 {} O 0.0 {0.524559892385 0.359050329583 0.590593746957} O2 1408 -1 1 {} H 0.0 {0.530054164648 0.359532086734 0.599525471611} H2 1409 -1 8 {} O 0.0 {0.52635941336 0.387864970333 0.582315156973} O3 1410 -1 1 {} H 0.0 {0.52707603952 0.395424454197 0.58958242067} H3 1411 -1 8 {} O 0.0 {0.507888421962 0.379860199472 0.60447521785} O4 1412 -1 1 {} H 0.0 {0.500378939397 0.386998364713 0.602799903405} H4 1413 -1 14 {} Si 0.0 {0.446764133486 0.674977010959 0.655358250358} Si1 1414 -1 8 {} O 0.0 {0.451543108819 0.661208597672 0.64413001135} O1 1415 -1 1 {} H 0.0 {0.449758042545 0.652034450435 0.648905424677} H1 1416 -1 8 {} O 0.0 {0.439697941493 0.668086880564 0.670880255992} O2 1417 -1 1 {} H 0.0 {0.432708528089 0.674855147528 0.674828875667} H2 1418 -1 8 {} O 0.0 {0.461601204875 0.685100637721 0.659341228887} O3 1419 -1 1 {} H 0.0 {0.46166171918 0.693709701597 0.653328875847} H3 1420 -1 8 {} O 0.0 {0.43420810315 0.685517183933 0.647084762784} O4 1421 -1 1 {} H 0.0 {0.43751863461 0.695467995274 0.647017133343} H4 1422 -1 14 {} Si 0.0 {0.497424195065 0.421657007234 0.480682633573} Si1 1423 -1 8 {} O 0.0 {0.491285520165 0.43884436114 0.4830032074} O1 1424 -1 1 {} H 0.0 {0.493219333729 0.444437405305 0.474329892456} H1 1425 -1 8 {} O 0.0 {0.514631507182 0.422123577981 0.474185515344} O2 1426 -1 1 {} H 0.0 {0.519522260399 0.413153933397 0.476614826139} H2 1427 -1 8 {} O 0.0 {0.497201606584 0.412828820891 0.496824212123} O3 1428 -1 1 {} H 0.0 {0.497532177643 0.402469236244 0.495139577005} H3 1429 -1 8 {} O 0.0 {0.486579320626 0.412835069389 0.468717760286} O4 1430 -1 1 {} H 0.0 {0.476797009746 0.412442484356 0.472511732643} H4 1431 -1 14 {} Si 0.0 {0.411638053347 0.651111545442 0.341202065487} Si1 1432 -1 8 {} O 0.0 {0.397691122097 0.652221175343 0.353117697414} O1 1433 -1 1 {} H 0.0 {0.401196278704 0.650082899269 0.362775691657} H1 1434 -1 8 {} O 0.0 {0.407047412892 0.639817116479 0.327441053809} O2 1435 -1 1 {} H 0.0 {0.404311858643 0.64548762518 0.319027340287} H2 1436 -1 8 {} O 0.0 {0.415280826684 0.667823719389 0.334445609537} O3 1437 -1 1 {} H 0.0 {0.424686896286 0.67098842361 0.337870398318} H3 1438 -1 8 {} O 0.0 {0.426527488598 0.644594108807 0.349826163645} O4 1439 -1 1 {} H 0.0 {0.435007180581 0.649913935946 0.346659322022} H4 1440 -1 14 {} Si 0.0 {0.571109470733 0.605897073917 0.641230344201} Si1 1441 -1 8 {} O 0.0 {0.589482159151 0.607023069367 0.641329157346} O1 1442 -1 1 {} H 0.0 {0.592573623526 0.613159432639 0.649251496566} H1 1443 -1 8 {} O 0.0 {0.564930067523 0.607880834376 0.624046595339} O2 1444 -1 1 {} H 0.0 {0.555066601125 0.604337941081 0.623461842984} H2 1445 -1 8 {} O 0.0 {0.565897712888 0.589538985836 0.647788750045} O3 1446 -1 1 {} H 0.0 {0.557530706866 0.590803269914 0.654016234497} H3 1447 -1 8 {} O 0.0 {0.564067129265 0.619159717027 0.651772438126} O4 1448 -1 1 {} H 0.0 {0.554316457091 0.616535772346 0.654604223178} H4 1449 -1 14 {} Si 0.0 {0.461332860113 0.611526314683 0.328412108341} Si1 1450 -1 8 {} O 0.0 {0.451685757289 0.598357153506 0.336898906016} O1 1451 -1 1 {} H 0.0 {0.451434254932 0.600316989883 0.347208649576} H1 1452 -1 8 {} O 0.0 {0.47654714554 0.604222551829 0.321072603223} O2 1453 -1 1 {} H 0.0 {0.484126763813 0.603930551114 0.328329746629} H2 1454 -1 8 {} O 0.0 {0.451089567814 0.6190138482 0.315093292499} O3 1455 -1 1 {} H 0.0 {0.457361084263 0.623608085914 0.308037691485} H3 1456 -1 8 {} O 0.0 {0.466005714225 0.624504148165 0.34058095756} O4 1457 -1 1 {} H 0.0 {0.458449125407 0.625373242626 0.347819599876} H4 1458 -1 14 {} Si 0.0 {0.344880037921 0.453789197491 0.387640474326} Si1 1459 -1 8 {} O 0.0 {0.330896031602 0.459377937514 0.398212906716} O1 1460 -1 1 {} H 0.0 {0.334517403317 0.465822680972 0.405669389539} H1 1461 -1 8 {} O 0.0 {0.357777002699 0.445956439729 0.398168807089} O2 1462 -1 1 {} H 0.0 {0.364968950403 0.453142809777 0.400798003909} H2 1463 -1 8 {} O 0.0 {0.338746890384 0.441568120017 0.375328449645} O3 1464 -1 1 {} H 0.0 {0.346066979906 0.434206129436 0.373774971036} H3 1465 -1 8 {} O 0.0 {0.352099019069 0.468255687523 0.378852765147} O4 1466 -1 1 {} H 0.0 {0.352187187595 0.466373313778 0.36852435281} H4 1467 -1 14 {} Si 0.0 {0.436706212116 0.604495064631 0.466300084798} Si1 1468 -1 8 {} O 0.0 {0.428168922516 0.606788637614 0.450129090302} O1 1469 -1 1 {} H 0.0 {0.423162381501 0.616032828225 0.450092771814} H1 1470 -1 8 {} O 0.0 {0.432188578247 0.61826130076 0.477601829155} O2 1471 -1 1 {} H 0.0 {0.437915654688 0.617581739684 0.486370664559} H2 1472 -1 8 {} O 0.0 {0.431573829004 0.588503672132 0.473745611685} O3 1473 -1 1 {} H 0.0 {0.438653081927 0.585596057047 0.48093299148} H3 1474 -1 8 {} O 0.0 {0.454946301192 0.604446768476 0.463744966935} O4 1475 -1 1 {} H 0.0 {0.459196867635 0.612642532748 0.468729367512} H4 1476 -1 14 {} Si 0.0 {0.303465707473 0.450278014155 0.57422894795} Si1 1477 -1 8 {} O 0.0 {0.298426633679 0.437587271335 0.561886002464} O1 1478 -1 1 {} H 0.0 {0.300393398999 0.428010493457 0.56572119531} H1 1479 -1 8 {} O 0.0 {0.311975197035 0.442086985588 0.588335831044} O2 1480 -1 1 {} H 0.0 {0.307944844234 0.445621771324 0.59736419643} H2 1481 -1 8 {} O 0.0 {0.314902986066 0.462334844289 0.566329881589} O3 1482 -1 1 {} H 0.0 {0.321978013842 0.457163878338 0.560550500299} H3 1483 -1 8 {} O 0.0 {0.670825345198 0.45911461647 0.580373494068} O4 1484 -1 1 {} H 0.0 {0.673798722443 0.467314258816 0.586214132191} H4 1485 -1 14 {} Si 0.0 {0.506420890405 0.653873547432 0.442910424011} Si1 1486 -1 8 {} O 0.0 {0.517382379579 0.667151844527 0.436449950959} O1 1487 -1 1 {} H 0.0 {0.519333858895 0.674072942904 0.444085372578} H1 1488 -1 8 {} O 0.0 {0.489338731938 0.66047223493 0.444994279192} O2 1489 -1 1 {} H 0.0 {0.483219464877 0.653055150055 0.449203701627} H2 1490 -1 8 {} O 0.0 {0.506178590466 0.639809833506 0.431000943399} O3 1491 -1 1 {} H 0.0 {0.509157245697 0.6310317704 0.435897057954} H3 1492 -1 8 {} O 0.0 {0.512742797442 0.648089839591 0.459160701864} O4 1493 -1 1 {} H 0.0 {0.516419949317 0.656289379728 0.464560822606} H4 1494 -1 14 {} Si 0.0 {0.424493648472 0.592409522045 0.390962515301} Si1 1495 -1 8 {} O 0.0 {0.424971035171 0.609706476673 0.397230957625} O1 1496 -1 1 {} H 0.0 {0.41714225774 0.611160498608 0.404066099694} H1 1497 -1 8 {} O 0.0 {0.432324690096 0.591706010357 0.374329903559} O2 1498 -1 1 {} H 0.0 {0.44237562508 0.588844565799 0.375334037401} H2 1499 -1 8 {} O 0.0 {0.433664365536 0.581434746757 0.402501408997} O3 1500 -1 1 {} H 0.0 {0.443613511501 0.580554747437 0.399292148352} H3 1501 -1 8 {} O 0.0 {0.407030869304 0.586781657875 0.389793194621} O4 1502 -1 1 {} H 0.0 {0.406342967608 0.578985009465 0.382795753772} H4 1503 -1 14 {} Si 0.0 {0.34244517994 0.578035372881 0.304077661157} Si1 1504 -1 8 {} O 0.0 {0.346199322361 0.593856949141 0.677765581499} O1 1505 -1 1 {} H 0.0 {0.349389955624 0.600956303991 0.302535876734} H1 1506 -1 8 {} O 0.0 {0.332937544359 0.567036028776 0.675053844779} O2 1507 -1 1 {} H 0.0 {0.322752156842 0.567417006463 0.677562445545} H2 1508 -1 8 {} O 0.0 {0.35818189944 0.569788161407 0.308874958764} O3 1509 -1 1 {} H 0.0 {0.356032166581 0.560931410869 0.31408085508} H3 1510 -1 8 {} O 0.0 {0.332479521403 0.581481864764 0.31915763332} O4 1511 -1 1 {} H 0.0 {0.32693246597 0.572945191979 0.32170010583} H4 1512 -1 14 {} Si 0.0 {0.365646697281 0.621312389535 0.636999283439} Si1 1513 -1 8 {} O 0.0 {0.363236183866 0.622144435583 0.655205234249} O1 1514 -1 1 {} H 0.0 {0.372338177861 0.62016487746 0.660019900756} H1 1515 -1 8 {} O 0.0 {0.38298108681 0.616330067263 0.63326835448} O2 1516 -1 1 {} H 0.0 {0.389596113962 0.622099841273 0.639019343937} H2 1517 -1 8 {} O 0.0 {0.354056800267 0.608950761125 0.629830192196} O3 1518 -1 1 {} H 0.0 {0.353070016566 0.610663377269 0.619514217829} H3 1519 -1 8 {} O 0.0 {0.362273577202 0.637830163014 0.629709006473} O4 1520 -1 1 {} H 0.0 {0.35193048211 0.63899834331 0.628372635728} H4 1521 -1 14 {} Si 0.0 {0.497617303632 0.531536429736 0.406846058377} Si1 1522 -1 8 {} O 0.0 {0.479757374286 0.527822148642 0.409317914074} O1 1523 -1 1 {} H 0.0 {0.474245783377 0.531739021649 0.401309554697} H1 1524 -1 8 {} O 0.0 {0.504058342796 0.54067127921 0.421458466669} O2 1525 -1 1 {} H 0.0 {0.514295472678 0.54257981249 0.420138274247} H2 1526 -1 8 {} O 0.0 {0.506959665682 0.515805674916 0.404854361622} O3 1527 -1 1 {} H 0.0 {0.510629943512 0.515147210709 0.395036617623} H3 1528 -1 8 {} O 0.0 {0.499697249786 0.541846155244 0.391754746041} O4 1529 -1 1 {} H 0.0 {0.509910927994 0.542657052576 0.389470017943} H4 1530 -1 14 {} Si 0.0 {0.458195667995 0.576839319697 0.595781997868} Si1 1531 -1 8 {} O 0.0 {0.449444958856 0.560786733391 0.597858524598} O1 1532 -1 1 {} H 0.0 {0.454274176159 0.55511334466 0.605252931231} H1 1533 -1 8 {} O 0.0 {0.462974997325 0.578971153345 0.578140635329} O2 1534 -1 1 {} H 0.0 {0.464425874657 0.589169855419 0.576128734275} H2 1535 -1 8 {} O 0.0 {0.447060131009 0.590593253392 0.600831563443} O3 1536 -1 1 {} H 0.0 {0.451887409123 0.599771605637 0.599190545794} H3 1537 -1 8 {} O 0.0 {0.473301289703 0.577003199789 0.606293396551} O4 1538 -1 1 {} H 0.0 {0.470775700894 0.580161631559 0.615982071826} H4 1539 -1 14 {} Si 0.0 {0.592642173253 0.480988254801 0.519635774619} Si1 1540 -1 8 {} O 0.0 {0.578394779155 0.492472083335 0.517532840669} O1 1541 -1 1 {} H 0.0 {0.576950819557 0.497908739279 0.526399823973} H1 1542 -1 8 {} O 0.0 {0.587930566791 0.467402810105 0.531067659475} O2 1543 -1 1 {} H 0.0 {0.589332709617 0.470568062156 0.540978891443} H2 1544 -1 8 {} O 0.0 {0.597318572716 0.47398049806 0.503300212173} O3 1545 -1 1 {} H 0.0 {0.604296362807 0.480320035596 0.498655141589} H3 1546 -1 8 {} O 0.0 {0.606979333413 0.490160126627 0.526617859106} O4 1547 -1 1 {} H 0.0 {0.614783158551 0.48341773927 0.52862176125} H4 1548 -1 14 {} Si 0.0 {0.486139222999 0.652172592896 0.591481380723} Si1 1549 -1 8 {} O 0.0 {0.486347079777 0.639210958281 0.578424777053} O1 1550 -1 1 {} H 0.0 {0.488481940472 0.643645615596 0.569145377402} H1 1551 -1 8 {} O 0.0 {0.472424494888 0.64878620491 0.603280558218} O2 1552 -1 1 {} H 0.0 {0.471428298653 0.656878611669 0.609891305864} H2 1553 -1 8 {} O 0.0 {0.502155609434 0.652051651176 0.600517312773} O3 1554 -1 1 {} H 0.0 {0.508612351403 0.65914601808 0.596250921596} H3 1555 -1 8 {} O 0.0 {0.483654718404 0.668646451682 0.583692203511} O4 1556 -1 1 {} H 0.0 {0.492906591883 0.672353864316 0.580365090594} H4 1557 -1 14 {} Si 0.0 {0.492641561787 0.686915008761 0.370482904677} Si1 1558 -1 8 {} O 0.0 {0.479992710353 0.673627711564 0.369042073471} O1 1559 -1 1 {} H 0.0 {0.472482741063 0.676668200323 0.36237094737} H1 1560 -1 8 {} O 0.0 {0.48526682263 0.702999641138 0.365463355578} O2 1561 -1 1 {} H 0.0 {0.489749600207 0.328472153967 0.370944005868} H2 1562 -1 8 {} O 0.0 {0.498448085984 0.687988489156 0.38789427485} O3 1563 -1 1 {} H 0.0 {0.501141487469 0.678418363045 0.391259101128} H3 1564 -1 8 {} O 0.0 {0.50687481375 0.683043085391 0.359534799554} O4 1565 -1 1 {} H 0.0 {0.515553538562 0.681978574644 0.365339054013} H4 1566 -1 14 {} Si 0.0 {0.346710544808 0.598139847288 0.422021499771} Si1 1567 -1 8 {} O 0.0 {0.351072096683 0.591235379321 0.40554887687} O1 1568 -1 1 {} H 0.0 {0.361496381791 0.591373650816 0.40436146286} H1 1569 -1 8 {} O 0.0 {0.331077523454 0.607718754858 0.420652848928} O2 1570 -1 1 {} H 0.0 {0.333221403494 0.617431524749 0.417280597279} H2 1571 -1 8 {} O 0.0 {0.34447062961 0.584393167736 0.434048127145} O3 1572 -1 1 {} H 0.0 {0.351981524377 0.584903919602 0.441368101695} H3 1573 -1 8 {} O 0.0 {0.360221454985 0.609207682952 0.427814537453} O4 1574 -1 1 {} H 0.0 {0.366610760546 0.603858883614 0.434208621157} H4 1575 -1 14 {} Si 0.0 {0.441839923408 0.599506998598 0.519203989378} Si1 1576 -1 8 {} O 0.0 {0.433585781227 0.584226905353 0.51313041749} O1 1577 -1 1 {} H 0.0 {0.432047021683 0.577665016624 0.521174844399} H1 1578 -1 8 {} O 0.0 {0.459335384535 0.595737175627 0.523487629918} O2 1579 -1 1 {} H 0.0 {0.46507199146 0.604500829562 0.522758978267} H2 1580 -1 8 {} O 0.0 {0.44136514292 0.612372095271 0.506054107398} O3 1581 -1 1 {} H 0.0 {0.451004026987 0.613685273904 0.502105696931} H3 1582 -1 8 {} O 0.0 {0.433069473493 0.605690207356 0.534148462602} O4 1583 -1 1 {} H 0.0 {0.427296114894 0.614073898781 0.531582523494} H4 1584 -1 14 {} Si 0.0 {0.554134093506 0.429282105152 0.484702991137} Si1 1585 -1 8 {} O 0.0 {0.566205520002 0.428088711134 0.470868509905} O1 1586 -1 1 {} H 0.0 {0.571135196734 0.437288892948 0.469740036321} H1 1587 -1 8 {} O 0.0 {0.547183420364 0.446300726321 0.485331102959} O2 1588 -1 1 {} H 0.0 {0.548770915745 0.450359000782 0.494882374307} H2 1589 -1 8 {} O 0.0 {0.540523911796 0.417194531194 0.482016959444} O3 1590 -1 1 {} H 0.0 {0.539130036922 0.415747696475 0.471708533023} H3 1591 -1 8 {} O 0.0 {0.562627166851 0.425546715245 0.500590859429} O4 1592 -1 1 {} H 0.0 {0.561767029545 0.415299455155 0.502682856199} H4 1593 -1 14 {} Si 0.0 {0.334934142176 0.663093425925 0.33383430748} Si1 1594 -1 8 {} O 0.0 {0.341300843227 0.670326824934 0.349525364075} O1 1595 -1 1 {} H 0.0 {0.34739254536 0.678589501457 0.347342984811} H1 1596 -1 8 {} O 0.0 {0.318356813959 0.655699343216 0.336803571507} O2 1597 -1 1 {} H 0.0 {0.313055283439 0.655287662383 0.327756195576} H2 1598 -1 8 {} O 0.0 {0.333572977348 0.67630904659 0.321101975923} O3 1599 -1 1 {} H 0.0 {0.339620966419 0.673865758741 0.312875975284} H3 1600 -1 8 {} O 0.0 {0.346496156743 0.650024562128 0.327930438216} O4 1601 -1 1 {} H 0.0 {0.351225719158 0.653250336152 0.319137651003} H4 1602 -1 14 {} Si 0.0 {0.327728350918 0.556802892923 0.403388694914} Si1 1603 -1 8 {} O 0.0 {0.319549949199 0.572960794262 0.400067613415} O1 1604 -1 1 {} H 0.0 {0.317764009497 0.577902766962 0.409152013446} H1 1605 -1 8 {} O 0.0 {0.315473669753 0.543162590405 0.401582972614} O2 1606 -1 1 {} H 0.0 {0.310276541077 0.541908955738 0.410625899092} H2 1607 -1 8 {} O 0.0 {0.3414382268 0.554359738527 0.391379273009} O3 1608 -1 1 {} H 0.0 {0.349577618048 0.549877779106 0.396245030316} H3 1609 -1 8 {} O 0.0 {0.334478750074 0.556739216494 0.420508662642} O4 1610 -1 1 {} H 0.0 {0.337163322758 0.566515158755 0.423234341688} H4 1611 -1 14 {} Si 0.0 {0.405913697398 0.443597195011 0.578243538854} Si1 1612 -1 8 {} O 0.0 {0.409965342739 0.447997324924 0.595649392075} O1 1613 -1 1 {} H 0.0 {0.411279349953 0.458383715157 0.596412431893} H1 1614 -1 8 {} O 0.0 {0.419905500743 0.448358297229 0.567292582071} O2 1615 -1 1 {} H 0.0 {0.419804854365 0.442334279825 0.558695943886} H2 1616 -1 8 {} O 0.0 {0.403074095002 0.425459662959 0.577008259999} O3 1617 -1 1 {} H 0.0 {0.393721918259 0.423688597631 0.572581508002} H3 1618 -1 8 {} O 0.0 {0.390713094198 0.452558130081 0.573016558269} O4 1619 -1 1 {} H 0.0 {0.388238759577 0.449794612056 0.563191560975} H4 1620 -1 14 {} Si 0.0 {0.457840702689 0.672042659553 0.327230517171} Si1 1621 -1 8 {} O 0.0 {0.462741104742 0.654305509133 0.327358111041} O1 1622 -1 1 {} H 0.0 {0.467193083863 0.651850642733 0.318171677388} H1 1623 -1 8 {} O 0.0 {0.449284773649 0.675915500442 0.311415340842} O2 1624 -1 1 {} H 0.0 {0.439018720777 0.6771439445 0.313218113252} H2 1625 -1 8 {} O 0.0 {0.446477720529 0.675367998471 0.341321631548} O3 1626 -1 1 {} H 0.0 {0.450899756832 0.67202240026 0.350234241187} H3 1627 -1 8 {} O 0.0 {0.472847787716 0.682575374241 0.328818255301} O4 1628 -1 1 {} H 0.0 {0.471396790872 0.68957570261 0.336500500003} H4 1629 -1 14 {} Si 0.0 {0.518716820829 0.491904264223 0.649118350512} Si1 1630 -1 8 {} O 0.0 {0.519839804862 0.499219288244 0.665967749639} O1 1631 -1 1 {} H 0.0 {0.529478605461 0.49764414143 0.669818392846} H1 1632 -1 8 {} O 0.0 {0.514125538266 0.474132071374 0.650436319897} O2 1633 -1 1 {} H 0.0 {0.52198933108 0.468215631955 0.646775815887} H2 1634 -1 8 {} O 0.0 {0.505903187281 0.500832886414 0.639403313052} O3 1635 -1 1 {} H 0.0 {0.50825895612 0.500282364584 0.629195715463} H3 1636 -1 8 {} O 0.0 {0.534988259667 0.493433458064 0.640662345467} O4 1637 -1 1 {} H 0.0 {0.533885665733 0.499280286447 0.632009137782} H4 1638 -1 14 {} Si 0.0 {0.67684740568 0.570875705131 0.554426109939} Si1 1639 -1 8 {} O 0.0 {0.304028462056 0.559509845209 0.54346709172} O1 1640 -1 1 {} H 0.0 {0.313018469093 0.556808918083 0.548165880035} H1 1641 -1 8 {} O 0.0 {0.30225798275 0.587580839536 0.553996090036} O2 1642 -1 1 {} H 0.0 {0.30479381489 0.590497535979 0.563756582742} H2 1643 -1 8 {} O 0.0 {0.659427295532 0.571974932742 0.548557639222} O3 1644 -1 1 {} H 0.0 {0.653179933556 0.566702833027 0.555144239465} H3 1645 -1 8 {} O 0.0 {0.677158681493 0.56445407814 0.571681688209} O4 1646 -1 1 {} H 0.0 {0.669082434525 0.557911359094 0.573124551304} H4 1647 -1 14 {} Si 0.0 {0.542521746878 0.529257048881 0.493056370841} Si1 1648 -1 8 {} O 0.0 {0.54694037403 0.516204438944 0.480859145131} O1 1649 -1 1 {} H 0.0 {0.541404710375 0.517636632216 0.472050896748} H1 1650 -1 8 {} O 0.0 {0.538097172668 0.521437370256 0.509101823579} O2 1651 -1 1 {} H 0.0 {0.539819499062 0.528263390163 0.51689797149} H2 1652 -1 8 {} O 0.0 {0.556857676605 0.540493408177 0.495480192529} O3 1653 -1 1 {} H 0.0 {0.553375194096 0.550196084917 0.497497147819} H3 1654 -1 8 {} O 0.0 {0.528196402429 0.538929212985 0.486803478483} O4 1655 -1 1 {} H 0.0 {0.530155309595 0.549186686969 0.487952971634} H4 1656 -1 14 {} Si 0.0 {0.561235934087 0.674669853016 0.360912299775} Si1 1657 -1 8 {} O 0.0 {0.566078964303 0.656971082018 0.359846005923} O1 1658 -1 1 {} H 0.0 {0.57650154616 0.656276039933 0.358764062263} H1 1659 -1 8 {} O 0.0 {0.563865416543 0.682758617543 0.344634726027} O2 1660 -1 1 {} H 0.0 {0.56903033177 0.676206870414 0.338289799193} H2 1661 -1 8 {} O 0.0 {0.543516789615 0.675950638991 0.365649318691} O3 1662 -1 1 {} H 0.0 {0.53979252832 0.685298365811 0.362676701726} H3 1663 -1 8 {} O 0.0 {0.571518506948 0.683046009015 0.373510619606} O4 1664 -1 1 {} H 0.0 {0.570327733113 0.69342492824 0.372598770554} H4 1665 -1 14 {} Si 0.0 {0.595194479028 0.655690845257 0.393134832676} Si1 1666 -1 8 {} O 0.0 {0.590161413531 0.668152349337 0.405710560008} O1 1667 -1 1 {} H 0.0 {0.580207143006 0.666414539579 0.408559910765} H1 1668 -1 8 {} O 0.0 {0.58172637587 0.643358582854 0.390963885711} O2 1669 -1 1 {} H 0.0 {0.584324441436 0.636679606245 0.383286050279} H2 1670 -1 8 {} O 0.0 {0.598414508322 0.664083384172 0.37709443119} O3 1671 -1 1 {} H 0.0 {0.604331846867 0.657865349809 0.371047638161} H3 1672 -1 8 {} O 0.0 {0.610488493957 0.647156869869 0.398760013279} O4 1673 -1 1 {} H 0.0 {0.614078690636 0.640998103083 0.391054184} H4 1674 -1 14 {} Si 0.0 {0.493259356942 0.40457785055 0.354220201961} Si1 1675 -1 8 {} O 0.0 {0.504973709627 0.418819574264 0.355260578426} O1 1676 -1 1 {} H 0.0 {0.514689776043 0.415575102214 0.352943900892} H1 1677 -1 8 {} O 0.0 {0.487190049362 0.400441859514 0.371064334001} O2 1678 -1 1 {} H 0.0 {0.479736366328 0.39309548352 0.37036573757} H2 1679 -1 8 {} O 0.0 {0.47898568318 0.409139342641 0.343504987245} O3 1680 -1 1 {} H 0.0 {0.476225178598 0.40087007453 0.337651982838} H3 1681 -1 8 {} O 0.0 {0.501871227687 0.389968903778 0.347041952789} O4 1682 -1 1 {} H 0.0 {0.495144128783 0.381939743539 0.346359880703} H4 1683 -1 14 {} Si 0.0 {0.618760241348 0.478648758779 0.318323848629} Si1 1684 -1 8 {} O 0.0 {0.601726556049 0.484733379382 0.314988482401} O1 1685 -1 1 {} H 0.0 {0.597628012084 0.488647806403 0.323821478855} H1 1686 -1 8 {} O 0.0 {0.618100752381 0.465004336492 0.330658290295} O2 1687 -1 1 {} H 0.0 {0.627266161588 0.464459320787 0.335752340296} H2 1688 -1 8 {} O 0.0 {0.62621616179 0.472478848947 0.302687781721} O3 1689 -1 1 {} H 0.0 {0.636648644022 0.47194577534 0.303767329972} H3 1690 -1 8 {} O 0.0 {0.629008809328 0.492404667402 0.324953539181} O4 1691 -1 1 {} H 0.0 {0.626890149004 0.50119996253 0.319630786184} H4 1692 -1 14 {} Si 0.0 {0.469327016802 0.565793290057 0.462981990371} Si1 1693 -1 8 {} O 0.0 {0.482605100853 0.555687734418 0.455243159341} O1 1694 -1 1 {} H 0.0 {0.478545653196 0.550033866799 0.447377533753} H1 1695 -1 8 {} O 0.0 {0.457759457193 0.554841350413 0.472128912541} O2 1696 -1 1 {} H 0.0 {0.450580289297 0.560721257831 0.477051177811} H2 1697 -1 8 {} O 0.0 {0.476791378561 0.577915977677 0.474631864253} O3 1698 -1 1 {} H 0.0 {0.469160153762 0.583423368481 0.47929630371} H3 1699 -1 8 {} O 0.0 {0.460104642453 0.574742161225 0.449919798516} O4 1700 -1 1 {} H 0.0 {0.449853236206 0.574568589434 0.452142375667} H4 1701 -1 14 {} Si 0.0 {0.523372040965 0.631651581261 0.450392637224} Si1 1702 -1 8 {} O 0.0 {0.533977304176 0.62206357017 0.461988304812} O1 1703 -1 1 {} H 0.0 {0.543106858013 0.62704596068 0.463302825301} H1 1704 -1 8 {} O 0.0 {0.529272745114 0.649059216318 0.44967657292} O2 1705 -1 1 {} H 0.0 {0.530998285505 0.651740710216 0.439675994972} H2 1706 -1 8 {} O 0.0 {0.524354704113 0.624173838838 0.433617602992} O3 1707 -1 1 {} H 0.0 {0.525001600892 0.631806751105 0.426437913324} H3 1708 -1 8 {} O 0.0 {0.505902528799 0.631295738288 0.456260895882} O4 1709 -1 1 {} H 0.0 {0.499796565711 0.6364201921 0.449405622376} H4 1710 -1 14 {} Si 0.0 {0.303532235501 0.611267535983 0.66943510449} Si1 1711 -1 8 {} O 0.0 {0.30592943132 0.628486236128 0.675467186917} O1 1712 -1 1 {} H 0.0 {0.299885010216 0.635013528053 0.669889739269} H1 1713 -1 8 {} O 0.0 {0.671513554824 0.610746541716 0.657864629011} O2 1714 -1 1 {} H 0.0 {0.671507954296 0.601576942478 0.652747597147} H2 1715 -1 8 {} O 0.0 {0.318707044108 0.605676234936 0.660677509511} O3 1716 -1 1 {} H 0.0 {0.316690140605 0.59671713856 0.655589697962} H3 1717 -1 8 {} O 0.0 {0.300251858298 0.600148230195 0.301451709715} O4 1718 -1 1 {} H 0.0 {0.678419339871 0.591127940495 0.297975966789} H4 1719 -1 14 {} Si 0.0 {0.427901093661 0.661327038241 0.617760138307} Si1 1720 -1 8 {} O 0.0 {0.433479238792 0.651641292305 0.632373579876} O1 1721 -1 1 {} H 0.0 {0.430333404779 0.641676448579 0.631360093618} H1 1722 -1 8 {} O 0.0 {0.422981932205 0.64980492482 0.604283809479} O2 1723 -1 1 {} H 0.0 {0.429704507361 0.650731676807 0.59627338547} H2 1724 -1 8 {} O 0.0 {0.413497173704 0.671772196411 0.62245438741} O3 1725 -1 1 {} H 0.0 {0.414679806886 0.681372580508 0.618383063935} H3 1726 -1 8 {} O 0.0 {0.441647786301 0.672081507157 0.611932891987} O4 1727 -1 1 {} H 0.0 {0.439963367434 0.67478613779 0.601930886579} H4 1728 -1 14 {} Si 0.0 {0.410843471374 0.327230144276 0.334684203165} Si1 1729 -1 8 {} O 0.0 {0.403588078064 0.694531792344 0.342516708137} O1 1730 -1 1 {} H 0.0 {0.410581927935 0.690307414772 0.349104410115} H1 1731 -1 8 {} O 0.0 {0.429089971544 0.707483109551 0.33337199821} O2 1732 -1 1 {} H 0.0 {0.433128017903 0.333330375953 0.328082904046} H2 1733 -1 8 {} O 0.0 {0.403679412941 0.329458111611 0.317875327355} O3 1734 -1 1 {} H 0.0 {0.394107056801 0.333694364508 0.31869617411} H3 1735 -1 8 {} O 0.0 {0.407014119501 0.341974531743 0.344994100185} O4 1736 -1 1 {} H 0.0 {0.397681567744 0.340654596797 0.34962976719} H4 1737 -1 14 {} Si 0.0 {0.578870755219 0.399268547798 0.421363349023} Si1 1738 -1 8 {} O 0.0 {0.5906268976 0.413259387978 0.419301532508} O1 1739 -1 1 {} H 0.0 {0.588475374964 0.420691125374 0.426399146613} H1 1740 -1 8 {} O 0.0 {0.564726436363 0.404649261499 0.431833740867} O2 1741 -1 1 {} H 0.0 {0.559859185259 0.396203900993 0.435732885196} H2 1742 -1 8 {} O 0.0 {0.572645361909 0.394006534562 0.404864414421} O3 1743 -1 1 {} H 0.0 {0.570044732871 0.383840380497 0.405194442218} H3 1744 -1 8 {} O 0.0 {0.587493101755 0.385176139563 0.429456581273} O4 1745 -1 1 {} H 0.0 {0.590662117842 0.378348708531 0.422133936009} H4 1746 -1 14 {} Si 0.0 {0.390460593072 0.434659303498 0.631846211283} Si1 1747 -1 8 {} O 0.0 {0.374066351923 0.436178522992 0.64004851272} O1 1748 -1 1 {} H 0.0 {0.366587228019 0.432684982929 0.633558865591} H1 1749 -1 8 {} O 0.0 {0.38921605343 0.440687312774 0.61450523842} O2 1750 -1 1 {} H 0.0 {0.398636486813 0.440064131832 0.609912664441} H2 1751 -1 8 {} O 0.0 {0.40285171373 0.444749777102 0.640976951133} O3 1752 -1 1 {} H 0.0 {0.411304409015 0.446207822571 0.634924974795} H3 1753 -1 8 {} O 0.0 {0.395702763694 0.417020384264 0.631853411553} O4 1754 -1 1 {} H 0.0 {0.390165287493 0.411732012919 0.624668730828} H4 1755 -1 14 {} Si 0.0 {0.377855436247 0.485608809617 0.41319198203} Si1 1756 -1 8 {} O 0.0 {0.381841390081 0.489029225608 0.395606039545} O1 1757 -1 1 {} H 0.0 {0.392202004868 0.490441942056 0.394599634955} H1 1758 -1 8 {} O 0.0 {0.393048084385 0.487640586818 0.423382196148} O2 1759 -1 1 {} H 0.0 {0.391495395608 0.48339776488 0.432846599303} H2 1760 -1 8 {} O 0.0 {0.364968045427 0.497397415374 0.418945310306} O3 1761 -1 1 {} H 0.0 {0.366058166051 0.498989455177 0.429258563901} H3 1762 -1 8 {} O 0.0 {0.371603952735 0.468377427838 0.414817674486} O4 1763 -1 1 {} H 0.0 {0.366720650189 0.467292224791 0.424046644982} H4 1764 -1 14 {} Si 0.0 {0.506880149584 0.436089533594 0.532506580379} Si1 1765 -1 8 {} O 0.0 {0.496720892939 0.451220785815 0.53500378797} O1 1766 -1 1 {} H 0.0 {0.491840663049 0.453658369788 0.526030485467} H1 1767 -1 8 {} O 0.0 {0.513681037788 0.436043743943 0.515418370675} O2 1768 -1 1 {} H 0.0 {0.510620931839 0.444760859299 0.510429925512} H2 1769 -1 8 {} O 0.0 {0.520733792288 0.435915179272 0.544624700841} O3 1770 -1 1 {} H 0.0 {0.517826988803 0.441026957371 0.553317144632} H3 1771 -1 8 {} O 0.0 {0.496372921852 0.421187168964 0.534962487676} O4 1772 -1 1 {} H 0.0 {0.487268607352 0.424022901971 0.539357087223} H4 1773 -1 14 {} Si 0.0 {0.556747439014 0.640336208125 0.428616110632} Si1 1774 -1 8 {} O 0.0 {0.547675212094 0.656100896964 0.431335733282} O1 1775 -1 1 {} H 0.0 {0.540730521253 0.657500275331 0.423596301282} H1 1776 -1 8 {} O 0.0 {0.574160478856 0.644045093595 0.42397555612} O2 1777 -1 1 {} H 0.0 {0.580594854862 0.640323902371 0.431365013988} H2 1778 -1 8 {} O 0.0 {0.556512534363 0.630366777672 0.444086395581} O3 1779 -1 1 {} H 0.0 {0.559997723946 0.620672630214 0.442045196931} H3 1780 -1 8 {} O 0.0 {0.548645152841 0.630848177123 0.415075130063} O4 1781 -1 1 {} H 0.0 {0.542711685288 0.623233813105 0.41921381495} H4 1782 -1 14 {} Si 0.0 {0.608732571189 0.505632421842 0.500161368673} Si1 1783 -1 8 {} O 0.0 {0.625903090386 0.499079756434 0.501193723055} O1 1784 -1 1 {} H 0.0 {0.625687186166 0.48860118284 0.500574580575} H1 1785 -1 8 {} O 0.0 {0.603177722135 0.505659231807 0.482634269225} O2 1786 -1 1 {} H 0.0 {0.601656109113 0.515552036372 0.479479988701} H2 1787 -1 8 {} O 0.0 {0.597522008475 0.495019654957 0.510073604812} O3 1788 -1 1 {} H 0.0 {0.594625897697 0.500168533338 0.51875130063} H3 1789 -1 8 {} O 0.0 {0.608287866846 0.522781851627 0.506743756551} O4 1790 -1 1 {} H 0.0 {0.600884676591 0.528251333357 0.501700122173} H4 1791 -1 14 {} Si 0.0 {0.388651717391 0.630919511187 0.55262509978} Si1 1792 -1 8 {} O 0.0 {0.388440155608 0.61997432372 0.567412890825} O1 1793 -1 1 {} H 0.0 {0.391618423855 0.610348014591 0.564665363523} H1 1794 -1 8 {} O 0.0 {0.37157922052 0.632551690169 0.545950246084} O2 1795 -1 1 {} H 0.0 {0.371799640317 0.638321710315 0.537181995685} H2 1796 -1 8 {} O 0.0 {0.394986471843 0.647532375193 0.557351941618} O3 1797 -1 1 {} H 0.0 {0.401353962557 0.651106540546 0.549809242182} H3 1798 -1 8 {} O 0.0 {0.399614506737 0.623615948379 0.539781521928} O4 1799 -1 1 {} H 0.0 {0.409629466488 0.624532520783 0.542817131435} H4 1800 -1 14 {} Si 0.0 {0.430058641545 0.392063356236 0.596284332031} Si1 1801 -1 8 {} O 0.0 {0.437070252726 0.390551181671 0.613233448079} O1 1802 -1 1 {} H 0.0 {0.44740439795 0.392402612365 0.612914752381} H1 1803 -1 8 {} O 0.0 {0.426451303122 0.375304477912 0.589608421411} O2 1804 -1 1 {} H 0.0 {0.431380967183 0.374075706258 0.580414118085} H2 1805 -1 8 {} O 0.0 {0.414508400379 0.401868830597 0.596937420494} O3 1806 -1 1 {} H 0.0 {0.413355662247 0.407175446395 0.587954694094} H3 1807 -1 8 {} O 0.0 {0.442200738707 0.400524434217 0.585354185158} O4 1808 -1 1 {} H 0.0 {0.438691762956 0.400358808747 0.57545714492} H4 1809 -1 14 {} Si 0.0 {0.580565486319 0.527935777851 0.306426509503} Si1 1810 -1 8 {} O 0.0 {0.571912542028 0.523255811026 0.321974246436} O1 1811 -1 1 {} H 0.0 {0.561530318059 0.523737822015 0.320468764013} H1 1812 -1 8 {} O 0.0 {0.57897263749 0.546060928309 0.303751622405} O2 1813 -1 1 {} H 0.0 {0.571459398206 0.549868533012 0.310013828333} H2 1814 -1 8 {} O 0.0 {0.598366055585 0.523474447109 0.307724279817} O3 1815 -1 1 {} H 0.0 {0.604156334968 0.530807222113 0.302931646807} H3 1816 -1 8 {} O 0.0 {0.573012750916 0.518955777237 0.674521649307} O4 1817 -1 1 {} H 0.0 {0.567665914719 0.510657274443 0.678098566531} H4 1818 -1 14 {} Si 0.0 {0.373387466575 0.582419404933 0.653682626927} Si1 1819 -1 8 {} O 0.0 {0.388670426979 0.573075263034 0.657899599246} O1 1820 -1 1 {} H 0.0 {0.394585566358 0.578810024297 0.664404327333} H1 1821 -1 8 {} O 0.0 {0.376171349147 0.600376770639 0.656562686295} O2 1822 -1 1 {} H 0.0 {0.376793486125 0.602198268755 0.666883056793} H2 1823 -1 8 {} O 0.0 {0.369193803101 0.579630984497 0.635988510482} O3 1824 -1 1 {} H 0.0 {0.362181337494 0.586806395983 0.632894209717} H3 1825 -1 8 {} O 0.0 {0.359514010948 0.57658919733 0.664273299117} O4 1826 -1 1 {} H 0.0 {0.350477866488 0.580547537443 0.660679956251} H4 1827 -1 14 {} Si 0.0 {0.344777973719 0.69882091045 0.611560552812} Si1 1828 -1 8 {} O 0.0 {0.342490821012 0.332630688575 0.620231032795} O1 1829 -1 1 {} H 0.0 {0.351692864042 0.337691768451 0.620688466436} H1 1830 -1 8 {} O 0.0 {0.353491121336 0.687051022527 0.62268601972} O2 1831 -1 1 {} H 0.0 {0.363803221568 0.68742755295 0.620765836896} H2 1832 -1 8 {} O 0.0 {0.328365457511 0.691886094619 0.606945577171} O3 1833 -1 1 {} H 0.0 {0.325913277207 0.684066528827 0.613491467897} H3 1834 -1 8 {} O 0.0 {0.35477731759 0.701428278713 0.596355481419} O4 1835 -1 1 {} H 0.0 {0.350319299354 0.69631311011 0.588342559692} H4 1836 -1 14 {} Si 0.0 {0.458540929704 0.34328865596 0.51871750558} Si1 1837 -1 8 {} O 0.0 {0.464403916991 0.356149240768 0.530499112096} O1 1838 -1 1 {} H 0.0 {0.461864915262 0.365653534749 0.52683414075} H1 1839 -1 8 {} O 0.0 {0.462315357704 0.348563972832 0.501499887811} O2 1840 -1 1 {} H 0.0 {0.466218365551 0.340426598298 0.49613509873} H2 1841 -1 8 {} O 0.0 {0.467077378783 0.327375810916 0.522274501503} O3 1842 -1 1 {} H 0.0 {0.462411939625 0.70191058929 0.516925632261} H3 1843 -1 8 {} O 0.0 {0.44037164391 0.341072284975 0.520603864121} O4 1844 -1 1 {} H 0.0 {0.435565596323 0.343920103474 0.511717680266} H4 1845 -1 14 {} Si 0.0 {0.464976144803 0.486192164496 0.481172000201} Si1 1846 -1 8 {} O 0.0 {0.467668754217 0.474914369637 0.495467026638} O1 1847 -1 1 {} H 0.0 {0.476769118175 0.477304347512 0.50013406832} H1 1848 -1 8 {} O 0.0 {0.4778127548 0.483091991917 0.468421902337} O2 1849 -1 1 {} H 0.0 {0.475391909124 0.488357691407 0.459673703011} H2 1850 -1 8 {} O 0.0 {0.448368690871 0.483095438811 0.473923051804} O3 1851 -1 1 {} H 0.0 {0.441313568374 0.48223805267 0.48162608547} H3 1852 -1 8 {} O 0.0 {0.466053793809 0.503660047936 0.486850549572} O4 1853 -1 1 {} H 0.0 {0.45644363608 0.507146036605 0.489241030264} H4 1854 -1 14 {} Si 0.0 {0.674063097994 0.506456680207 0.339173985626} Si1 1855 -1 8 {} O 0.0 {0.678446573815 0.522586971752 0.346834653547} O1 1856 -1 1 {} H 0.0 {0.303662550832 0.527234229004 0.341125780575} H1 1857 -1 8 {} O 0.0 {0.306876715205 0.498932514859 0.33176789477} O2 1858 -1 1 {} H 0.0 {0.304618618155 0.489300674139 0.328267716656} H2 1859 -1 8 {} O 0.0 {0.667277830051 0.495205246934 0.352055689782} O3 1860 -1 1 {} H 0.0 {0.662102351795 0.487327891387 0.34743347284} H3 1861 -1 8 {} O 0.0 {0.661417379741 0.509109227915 0.326040514498} O4 1862 -1 1 {} H 0.0 {0.652065415912 0.510851339091 0.330488763833} H4 1863 -1 14 {} Si 0.0 {0.677670917635 0.488603980286 0.603500126249} Si1 1864 -1 8 {} O 0.0 {0.667495497348 0.476168785988 0.612460911516} O1 1865 -1 1 {} H 0.0 {0.673085565455 0.472120995141 0.620352533931} H1 1866 -1 8 {} O 0.0 {0.303552863577 0.480596234685 0.589073390191} O2 1867 -1 1 {} H 0.0 {0.311284684528 0.486765258657 0.585565854465} H2 1868 -1 8 {} O 0.0 {0.666833604933 0.502279757457 0.597637749394} O3 1869 -1 1 {} H 0.0 {0.670982025243 0.506567997758 0.589002391127} H3 1870 -1 8 {} O 0.0 {0.308247176342 0.495350709963 0.614835211723} O4 1871 -1 1 {} H 0.0 {0.310235716589 0.505344722652 0.612319583631} H4 1872 -1 14 {} Si 0.0 {0.453343093837 0.634738818856 0.574623590082} Si1 1873 -1 8 {} O 0.0 {0.439348343398 0.645992304807 0.570621293871} O1 1874 -1 1 {} H 0.0 {0.438421565575 0.646830980896 0.560199370986} H1 1875 -1 8 {} O 0.0 {0.461478574309 0.629283350437 0.559048095138} O2 1876 -1 1 {} H 0.0 {0.471293278298 0.633004408548 0.558752722212} H2 1877 -1 8 {} O 0.0 {0.465548151804 0.643629895888 0.585122482032} O3 1878 -1 1 {} H 0.0 {0.460849145876 0.651772329162 0.589793850084} H3 1879 -1 8 {} O 0.0 {0.446994977723 0.620051372484 0.583704433272} O4 1880 -1 1 {} H 0.0 {0.454314187636 0.616684886483 0.590438431737} H4 1881 -1 14 {} Si 0.0 {0.626903137324 0.427160852935 0.351227722908} Si1 1882 -1 8 {} O 0.0 {0.61578014828 0.433293878263 0.337923375433} O1 1883 -1 1 {} H 0.0 {0.606859358412 0.427784201614 0.338013914108} H1 1884 -1 8 {} O 0.0 {0.619660838864 0.411998769259 0.358710437228} O2 1885 -1 1 {} H 0.0 {0.624052895695 0.410293542053 0.368082581954} H2 1886 -1 8 {} O 0.0 {0.643412096643 0.423209056551 0.344109247991} O3 1887 -1 1 {} H 0.0 {0.650793065909 0.428760766265 0.349113404224} H3 1888 -1 8 {} O 0.0 {0.628747168875 0.44013685228 0.364154538806} O4 1889 -1 1 {} H 0.0 {0.625979330135 0.43619166098 0.373483357427} H4 1890 -1 14 {} Si 0.0 {0.318819154108 0.686236200737 0.452252264452} Si1 1891 -1 8 {} O 0.0 {0.303880415132 0.688769571215 0.462657775946} O1 1892 -1 1 {} H 0.0 {0.305966254209 0.685847106129 0.472510951669} H1 1893 -1 8 {} O 0.0 {0.314684249387 0.675278131582 0.438074754045} O2 1894 -1 1 {} H 0.0 {0.305576358582 0.670435413463 0.439958355659} H2 1895 -1 8 {} O 0.0 {0.324629600999 0.702405345639 0.445918269939} O3 1896 -1 1 {} H 0.0 {0.331395641918 0.700768109537 0.438164336829} H3 1897 -1 8 {} O 0.0 {0.332130507027 0.678483917082 0.462298304432} O4 1898 -1 1 {} H 0.0 {0.340547787959 0.676813548635 0.456233058937} H4 1899 -1 14 {} Si 0.0 {0.539072273266 0.658268408674 0.621221918765} Si1 1900 -1 8 {} O 0.0 {0.543591313348 0.675278410739 0.615846608451} O1 1901 -1 1 {} H 0.0 {0.535987666425 0.679141173579 0.609731174677} H1 1902 -1 8 {} O 0.0 {0.520751977279 0.656536173486 0.621401622937} O2 1903 -1 1 {} H 0.0 {0.518114258826 0.647024023002 0.6178158082} H2 1904 -1 8 {} O 0.0 {0.546264540001 0.646022348954 0.609526114954} O3 1905 -1 1 {} H 0.0 {0.555080240061 0.642051723924 0.613617315659} H3 1906 -1 8 {} O 0.0 {0.545693892502 0.655241061998 0.638114392181} O4 1907 -1 1 {} H 0.0 {0.551922007691 0.663222935424 0.640897261054} H4 1908 -1 14 {} Si 0.0 {0.595847850451 0.665524594605 0.532764686945} Si1 1909 -1 8 {} O 0.0 {0.583532473486 0.66058629503 0.545532502301} O1 1910 -1 1 {} H 0.0 {0.575979644965 0.667870141675 0.546101445851} H1 1911 -1 8 {} O 0.0 {0.610647121217 0.654654750463 0.533885562534} O2 1912 -1 1 {} H 0.0 {0.615072149931 0.653792779827 0.524426880214} H2 1913 -1 8 {} O 0.0 {0.588332038078 0.663877421251 0.516065395173} O3 1914 -1 1 {} H 0.0 {0.586570675224 0.673418839571 0.512088526818} H3 1915 -1 8 {} O 0.0 {0.60088723007 0.682989538821 0.535562157201} O4 1916 -1 1 {} H 0.0 {0.593143743786 0.689377485633 0.532518822538} H4 1917 -1 14 {} Si 0.0 {0.400185161154 0.643742782373 0.418113088588} Si1 1918 -1 8 {} O 0.0 {0.387037913244 0.631887602341 0.423122259766} O1 1919 -1 1 {} H 0.0 {0.378381669547 0.637195093777 0.425779914877} H1 1920 -1 8 {} O 0.0 {0.410397206826 0.648117546377 0.432777793362} O2 1921 -1 1 {} H 0.0 {0.413327443246 0.639335757271 0.43772763803} H2 1922 -1 8 {} O 0.0 {0.41086689507 0.635996532567 0.405291280146} O3 1923 -1 1 {} H 0.0 {0.417795320646 0.62961022238 0.409918473308} H3 1924 -1 8 {} O 0.0 {0.392441662678 0.658968523081 0.411263742225} O4 1925 -1 1 {} H 0.0 {0.392156745904 0.658326605105 0.400788868234} H4 1926 -1 14 {} Si 0.0 {0.462675441231 0.437685198065 0.33952461433} Si1 1927 -1 8 {} O 0.0 {0.476171306435 0.448354964818 0.333007847059} O1 1928 -1 1 {} H 0.0 {0.476755158703 0.45712477403 0.338741503148} H1 1929 -1 8 {} O 0.0 {0.453335661509 0.430349684849 0.325473247141} O2 1930 -1 1 {} H 0.0 {0.445155445569 0.424918691891 0.329182565846} H2 1931 -1 8 {} O 0.0 {0.469919685156 0.424232218167 0.349778384201} O3 1932 -1 1 {} H 0.0 {0.465968315095 0.42472980441 0.359489506551} H3 1933 -1 8 {} O 0.0 {0.451280351092 0.44780943136 0.34983285795} O4 1934 -1 1 {} H 0.0 {0.448573561294 0.442381088545 0.358397485414} H4 1935 -1 14 {} Si 0.0 {0.534922163392 0.393181130532 0.436252615965} Si1 1936 -1 8 {} O 0.0 {0.545155308474 0.39817611559 0.450709199007} O1 1937 -1 1 {} H 0.0 {0.543382000891 0.391580872753 0.458682686872} H1 1938 -1 8 {} O 0.0 {0.520528303518 0.383290662134 0.44204744216} O2 1939 -1 1 {} H 0.0 {0.518457830056 0.375725957872 0.435065757171} H2 1940 -1 8 {} O 0.0 {0.52890314712 0.408208554185 0.427506541325} O3 1941 -1 1 {} H 0.0 {0.533308578925 0.408704499266 0.417990726068} H3 1942 -1 8 {} O 0.0 {0.5450976839 0.383049106173 0.424749596507} O4 1943 -1 1 {} H 0.0 {0.544719056481 0.387250597659 0.415137051544} H4 1944 -1 14 {} Si 0.0 {0.383646962588 0.347394589555 0.410025389466} Si1 1945 -1 8 {} O 0.0 {0.365648276728 0.35049975034 0.412269479167} O1 1946 -1 1 {} H 0.0 {0.360294972226 0.341791453629 0.409920330463} H1 1947 -1 8 {} O 0.0 {0.388866471844 0.333233160441 0.42057180078} O2 1948 -1 1 {} H 0.0 {0.398785274092 0.330632880453 0.41825945394} H2 1949 -1 8 {} O 0.0 {0.386918991589 0.343431091113 0.392387959727} O3 1950 -1 1 {} H 0.0 {0.397259917792 0.3428133938 0.390822427593} H3 1951 -1 8 {} O 0.0 {0.393153272024 0.362409931986 0.414815965077} O4 1952 -1 1 {} H 0.0 {0.402155839368 0.362706959867 0.409411633187} H4 1953 -1 14 {} Si 0.0 {0.396583009185 0.502740678147 0.489966917894} Si1 1954 -1 8 {} O 0.0 {0.392950738259 0.516413126532 0.501731753948} O1 1955 -1 1 {} H 0.0 {0.400567073608 0.516922050235 0.508943708884} H1 1956 -1 8 {} O 0.0 {0.401510476355 0.487717195307 0.499367862589} O2 1957 -1 1 {} H 0.0 {0.411053495784 0.484632860753 0.496259819875} H2 1958 -1 8 {} O 0.0 {0.381568557752 0.499074578595 0.479984419771} O3 1959 -1 1 {} H 0.0 {0.383622051393 0.491180609619 0.473371329313} H3 1960 -1 8 {} O 0.0 {0.410303570604 0.507751276475 0.478783887311} O4 1961 -1 1 {} H 0.0 {0.407792331342 0.505323549164 0.468881068515} H4 1962 -1 14 {} Si 0.0 {0.414550509994 0.439264480082 0.427679161884} Si1 1963 -1 8 {} O 0.0 {0.423864367366 0.445017364296 0.412893524664} O1 1964 -1 1 {} H 0.0 {0.419551739773 0.453889374604 0.409291665479} H1 1965 -1 8 {} O 0.0 {0.41515258514 0.420895866326 0.428550756501} O2 1966 -1 1 {} H 0.0 {0.410845543529 0.416850156279 0.419879064228} H2 1967 -1 8 {} O 0.0 {0.4221306158 0.446362551029 0.442864236759} O3 1968 -1 1 {} H 0.0 {0.41529497548 0.445694438756 0.450810611454} H3 1969 -1 8 {} O 0.0 {0.397048607271 0.444790662181 0.426413229745} O4 1970 -1 1 {} H 0.0 {0.396454931177 0.455028715314 0.428672244709} H4 1971 -1 14 {} Si 0.0 {0.592878977381 0.623794014299 0.542971765499} Si1 1972 -1 8 {} O 0.0 {0.584750187583 0.640229544952 0.544618463975} O1 1973 -1 1 {} H 0.0 {0.589984801895 0.646034413255 0.551593006067} H1 1974 -1 8 {} O 0.0 {0.597984336078 0.617696436943 0.559577782576} O2 1975 -1 1 {} H 0.0 {0.608189978242 0.615245613167 0.559409823972} H2 1976 -1 8 {} O 0.0 {0.581042763576 0.611884942935 0.535467728166} O3 1977 -1 1 {} H 0.0 {0.586279391186 0.605130191761 0.529388538839} H3 1978 -1 8 {} O 0.0 {0.60771458689 0.625348684765 0.532206751936} O4 1979 -1 1 {} H 0.0 {0.615956769548 0.628268671666 0.538031230513} H4 1980 -1 14 {} Si 0.0 {0.561219913526 0.554634922883 0.553877028376} Si1 1981 -1 8 {} O 0.0 {0.573521733543 0.561727569098 0.565561044415} O1 1982 -1 1 {} H 0.0 {0.569156529746 0.562686706275 0.575050397341} H1 1983 -1 8 {} O 0.0 {0.546137867037 0.549630352992 0.563145026893} O2 1984 -1 1 {} H 0.0 {0.538521349885 0.547180402032 0.556348077937} H2 1985 -1 8 {} O 0.0 {0.556759147825 0.567261153617 0.541261779604} O3 1986 -1 1 {} H 0.0 {0.546823903649 0.565784602696 0.538208940963} H3 1987 -1 8 {} O 0.0 {0.568460826091 0.53992038404 0.54554600248} O4 1988 -1 1 {} H 0.0 {0.562880709359 0.537692065639 0.536946045602} H4 1989 -1 14 {} Si 0.0 {0.354010754776 0.504905721708 0.34700356434} Si1 1990 -1 8 {} O 0.0 {0.366159480468 0.49231206764 0.352675815114} O1 1991 -1 1 {} H 0.0 {0.363038353739 0.482792453234 0.349533045923} H1 1992 -1 8 {} O 0.0 {0.336954719793 0.498502685741 0.349507466444} O2 1993 -1 1 {} H 0.0 {0.331703820738 0.498953676213 0.340436242194} H2 1994 -1 8 {} O 0.0 {0.356233149528 0.520392905176 0.356667035678} O3 1995 -1 1 {} H 0.0 {0.349470906114 0.527648373367 0.353226398616} H3 1996 -1 8 {} O 0.0 {0.356678725732 0.508414449605 0.329140576162} O4 1997 -1 1 {} H 0.0 {0.364827502295 0.514945789329 0.328054656722} H4 1998 -1 14 {} Si 0.0 {0.551020521221 0.493768547542 0.35743943542} Si1 1999 -1 8 {} O 0.0 {0.538512399411 0.492855215793 0.370911109944} O1 2000 -1 1 {} H 0.0 {0.542387308264 0.487265794303 0.378908146607} H1 2001 -1 8 {} O 0.0 {0.563044789345 0.479963164543 0.359272509233} O2 2002 -1 1 {} H 0.0 {0.571944760234 0.483625237725 0.363482682945} H2 2003 -1 8 {} O 0.0 {0.542575965505 0.492433177171 0.34114429104} O3 2004 -1 1 {} H 0.0 {0.549710716895 0.490664322843 0.333648396856} H3 2005 -1 8 {} O 0.0 {0.559947059203 0.509827885297 0.358429739054} O4 2006 -1 1 {} H 0.0 {0.554607827927 0.517121510825 0.353090741265} H4 2007 -1 14 {} Si 0.0 {0.349651450006 0.637240193262 0.342455076461} Si1 2008 -1 8 {} O 0.0 {0.35972313555 0.633094008759 0.327632966263} O1 2009 -1 1 {} H 0.0 {0.366410894492 0.640944209992 0.325651080148} H1 2010 -1 8 {} O 0.0 {0.349082107185 0.655506244171 0.344582456459} O2 2011 -1 1 {} H 0.0 {0.35757697269 0.658682556899 0.349857443503} H2 2012 -1 8 {} O 0.0 {0.332558185837 0.630791908875 0.340252767585} O3 2013 -1 1 {} H 0.0 {0.328425647791 0.628590976532 0.349648972326} H3 2014 -1 8 {} O 0.0 {0.357231502215 0.629576190187 0.357347476781} O4 2015 -1 1 {} H 0.0 {0.352341802293 0.63309295806 0.365943528189} H4 2016 -1 14 {} Si 0.0 {0.611603825532 0.632985744985 0.35305074551} Si1 2017 -1 8 {} O 0.0 {0.616741167851 0.625396346208 0.33710009975} O1 2018 -1 1 {} H 0.0 {0.626596996219 0.621874297265 0.337931547596} H1 2019 -1 8 {} O 0.0 {0.599467689906 0.646430125725 0.349818444779} O2 2020 -1 1 {} H 0.0 {0.602706836569 0.655254425352 0.354492074385} H2 2021 -1 8 {} O 0.0 {0.603840122888 0.620170652803 0.363726782701} O3 2022 -1 1 {} H 0.0 {0.594235628765 0.62333657338 0.366559258584} H3 2023 -1 8 {} O 0.0 {0.626357527605 0.639945909224 0.361551601509} O4 2024 -1 1 {} H 0.0 {0.631682822922 0.632185460976 0.366206367274} H4 2025 -1 14 {} Si 0.0 {0.523599710639 0.685313422335 0.476499507469} Si1 2026 -1 8 {} O 0.0 {0.517881802656 0.670502536433 0.485798617758} O1 2027 -1 1 {} H 0.0 {0.509231561156 0.672920310685 0.491228917274} H1 2028 -1 8 {} O 0.0 {0.539290236477 0.691489222016 0.483862478349} O2 2029 -1 1 {} H 0.0 {0.537093409657 0.698250398314 0.491586349978} H2 2030 -1 8 {} O 0.0 {0.526453463076 0.680786909215 0.458901453722} O3 2031 -1 1 {} H 0.0 {0.528403764924 0.689475506534 0.453337249381} H3 2032 -1 8 {} O 0.0 {0.510777260381 0.698477334134 0.477431324447} O4 2033 -1 1 {} H 0.0 {0.511251717161 0.704424182522 0.468788896658} H4 2034 -1 14 {} Si 0.0 {0.580395394617 0.435048500196 0.313151850788} Si1 2035 -1 8 {} O 0.0 {0.568248130184 0.425463793193 0.303200957196} O1 2036 -1 1 {} H 0.0 {0.567711724304 0.429505014385 0.675794251097} H1 2037 -1 8 {} O 0.0 {0.573843121529 0.451968111694 0.316217477084} O2 2038 -1 1 {} H 0.0 {0.577792776892 0.455659468331 0.325218802512} H2 2039 -1 8 {} O 0.0 {0.58320592482 0.426559958618 0.329233294236} O3 2040 -1 1 {} H 0.0 {0.587011130609 0.433441727024 0.336187382714} H3 2041 -1 8 {} O 0.0 {0.596289217788 0.436199846759 0.303955010363} O4 2042 -1 1 {} H 0.0 {0.596759310498 0.445416339333 0.298941784437} H4 2043 -1 14 {} Si 0.0 {0.355876680468 0.530836913615 0.46769698334} Si1 2044 -1 8 {} O 0.0 {0.338138149103 0.532565249424 0.463152544589} O1 2045 -1 1 {} H 0.0 {0.335892959771 0.542714168377 0.46167775026} H1 2046 -1 8 {} O 0.0 {0.358729010534 0.538432932213 0.48420975753} O2 2047 -1 1 {} H 0.0 {0.362248706513 0.531111657938 0.490855883105} H2 2048 -1 8 {} O 0.0 {0.360343649434 0.512988201582 0.468292389712} O3 2049 -1 1 {} H 0.0 {0.368952095209 0.511347115682 0.462510135502} H3 2050 -1 8 {} O 0.0 {0.36627839073 0.539373014046 0.455135781971} O4 2051 -1 1 {} H 0.0 {0.375903008357 0.535181147957 0.455138948944} H4 2052 -1 14 {} Si 0.0 {0.346342610267 0.407626013831 0.550815860982} Si1 2053 -1 8 {} O 0.0 {0.339782788004 0.41358404525 0.534690873726} O1 2054 -1 1 {} H 0.0 {0.33239136981 0.420839202665 0.536400217583} H1 2055 -1 8 {} O 0.0 {0.337638754133 0.39214149985 0.555638007985} O2 2056 -1 1 {} H 0.0 {0.333269887364 0.393395218347 0.565101870746} H2 2057 -1 8 {} O 0.0 {0.364363635206 0.404289056772 0.549237541263} O3 2058 -1 1 {} H 0.0 {0.368836148334 0.41191102165 0.543567614702} H3 2059 -1 8 {} O 0.0 {0.343600135128 0.420489664067 0.563684888657} O4 2060 -1 1 {} H 0.0 {0.334734261579 0.418384428545 0.568896207933} H4 2061 -1 14 {} Si 0.0 {0.671675489783 0.486043186813 0.310460558752} Si1 2062 -1 8 {} O 0.0 {0.677101583157 0.500943811732 0.319767970046} O1 2063 -1 1 {} H 0.0 {0.300826162235 0.506937774565 0.313578946395} H1 2064 -1 8 {} O 0.0 {0.302986138961 0.473625521844 0.31022732928} O2 2065 -1 1 {} H 0.0 {0.299243723926 0.464430846851 0.306788982259} H2 2066 -1 8 {} O 0.0 {0.65687564118 0.478771743637 0.318614902784} O3 2067 -1 1 {} H 0.0 {0.654223558612 0.469869039086 0.313721534093} H3 2068 -1 8 {} O 0.0 {0.667448758242 0.490833201011 0.675490189721} O4 2069 -1 1 {} H 0.0 {0.660075307498 0.48435600947 0.671783787821} H4 2070 -1 14 {} Si 0.0 {0.419584032822 0.445978556625 0.663272163303} Si1 2071 -1 8 {} O 0.0 {0.427501299351 0.453545257394 0.678056725523} O1 2072 -1 1 {} H 0.0 {0.424661511536 0.448216282561 0.304371861466} H1 2073 -1 8 {} O 0.0 {0.429633278406 0.449764120667 0.648327704037} O2 2074 -1 1 {} H 0.0 {0.42678460791 0.45910711749 0.64448476136} H2 2075 -1 8 {} O 0.0 {0.418553518244 0.427741393377 0.665517544051} O3 2076 -1 1 {} H 0.0 {0.425797839196 0.42307391111 0.659524386637} H3 2077 -1 8 {} O 0.0 {0.402649418528 0.452863300764 0.661193909779} O4 2078 -1 1 {} H 0.0 {0.395739564214 0.444985099683 0.660567421321} H4 2079 -1 14 {} Si 0.0 {0.58161112781 0.468153522721 0.566077405726} Si1 2080 -1 8 {} O 0.0 {0.579067244076 0.453925445548 0.577461534397} O1 2081 -1 1 {} H 0.0 {0.569069037198 0.453752864204 0.580648417727} H1 2082 -1 8 {} O 0.0 {0.579029304087 0.483900208875 0.575249369781} O2 2083 -1 1 {} H 0.0 {0.5722908837 0.489961812955 0.569948443629} H2 2084 -1 8 {} O 0.0 {0.598755425498 0.467673441211 0.559429497687} O3 2085 -1 1 {} H 0.0 {0.603816501079 0.45939327395 0.563441553496} H3 2086 -1 8 {} O 0.0 {0.569601881167 0.467107428519 0.552170133021} O4 2087 -1 1 {} H 0.0 {0.573486801031 0.460873097459 0.544665459058} H4 2088 -1 14 {} Si 0.0 {0.677196906043 0.362882902063 0.427012369957} Si1 2089 -1 8 {} O 0.0 {0.668716166209 0.360959497573 0.410802002558} O1 2090 -1 1 {} H 0.0 {0.67278350876 0.352733809292 0.405695522452} H1 2091 -1 8 {} O 0.0 {0.308518790352 0.37518196041 0.425393775415} O2 2092 -1 1 {} H 0.0 {0.311049482489 0.378849464649 0.434898965899} H2 2093 -1 8 {} O 0.0 {0.665108173463 0.368749520043 0.439604842298} O3 2094 -1 1 {} H 0.0 {0.66460765794 0.361819818834 0.447467373944} H3 2095 -1 8 {} O 0.0 {0.301922838367 0.34665430751 0.432214120792} O4 2096 -1 1 {} H 0.0 {0.679935254713 0.343778347494 0.441367150324} H4 2097 -1 14 {} Si 0.0 {0.49636795019 0.326414549187 0.531585386985} Si1 2098 -1 8 {} O 0.0 {0.49229305779 0.691323907156 0.527047305559} O1 2099 -1 1 {} H 0.0 {0.485202177623 0.691315567336 0.519305761928} H1 2100 -1 8 {} O 0.0 {0.492531134467 0.329165273239 0.549369415312} O2 2101 -1 1 {} H 0.0 {0.493730538932 0.339340511094 0.551663626504} H2 2102 -1 8 {} O 0.0 {0.514265466178 0.329488769202 0.528627603024} O3 2103 -1 1 {} H 0.0 {0.516965878892 0.338710590197 0.532859961256} H3 2104 -1 8 {} O 0.0 {0.486384152459 0.33795203953 0.521299451667} O4 2105 -1 1 {} H 0.0 {0.485962243497 0.347334896797 0.525993416161} H4 2106 -1 14 {} Si 0.0 {0.30561713243 0.554913933803 0.437536052325} Si1 2107 -1 8 {} O 0.0 {0.672528405174 0.547456224357 0.430658179373} O1 2108 -1 1 {} H 0.0 {0.674881395286 0.54196074585 0.422020657772} H1 2109 -1 8 {} O 0.0 {0.310860649751 0.569030490054 0.426970237113} O2 2110 -1 1 {} H 0.0 {0.312419317926 0.577492244895 0.432986273734} H2 2111 -1 8 {} O 0.0 {0.302421771823 0.560920942383 0.454615824623} O3 2112 -1 1 {} H 0.0 {0.311396598856 0.560818163038 0.460072514594} H3 2113 -1 8 {} O 0.0 {0.318948922084 0.54225441536 0.437930851755} O4 2114 -1 1 {} H 0.0 {0.324203775015 0.543013916433 0.446994336095} H4 2115 -1 14 {} Si 0.0 {0.399739941269 0.371777040328 0.560225645266} Si1 2116 -1 8 {} O 0.0 {0.400262551296 0.354176236104 0.554893614145} O1 2117 -1 1 {} H 0.0 {0.402581068586 0.353702594287 0.544668602875} H1 2118 -1 8 {} O 0.0 {0.405718752066 0.38249469113 0.546527281731} O2 2119 -1 1 {} H 0.0 {0.397712235278 0.388176708964 0.542806301769} H2 2120 -1 8 {} O 0.0 {0.382435135668 0.376406153444 0.564494590016} O3 2121 -1 1 {} H 0.0 {0.380763689042 0.374660654552 0.574705196573} H3 2122 -1 8 {} O 0.0 {0.410558345344 0.374030381253 0.574952839871} O4 2123 -1 1 {} H 0.0 {0.405687553545 0.380132919506 0.581966046015} H4 2124 -1 14 {} Si 0.0 {0.379932229135 0.441219991042 0.384834883054} Si1 2125 -1 8 {} O 0.0 {0.37794362218 0.458100824009 0.377795115695} O1 2126 -1 1 {} H 0.0 {0.379377866544 0.457731534523 0.367399365821} H1 2127 -1 8 {} O 0.0 {0.395157757294 0.433487665419 0.377982972541} O2 2128 -1 1 {} H 0.0 {0.395730809755 0.435444986317 0.367680407527} H2 2129 -1 8 {} O 0.0 {0.381316774326 0.442328873978 0.403150800352} O3 2130 -1 1 {} H 0.0 {0.387163211413 0.434361174554 0.406693987801} H3 2131 -1 8 {} O 0.0 {0.36531108948 0.430965264672 0.380400701568} O4 2132 -1 1 {} H 0.0 {0.366288694246 0.421445884108 0.384717292591} H4 2133 -1 14 {} Si 0.0 {0.591159358046 0.445108307292 0.381492850455} Si1 2134 -1 8 {} O 0.0 {0.587891869899 0.435862437859 0.397061418489} O1 2135 -1 1 {} H 0.0 {0.596936251973 0.432144264587 0.40087153508} H1 2136 -1 8 {} O 0.0 {0.595091851071 0.433226463188 0.367999133277} O2 2137 -1 1 {} H 0.0 {0.605133955507 0.434375942587 0.365154529687} H2 2138 -1 8 {} O 0.0 {0.576242920824 0.454851471101 0.376924445443} O3 2139 -1 1 {} H 0.0 {0.575101203181 0.462824483143 0.383652886285} H3 2140 -1 8 {} O 0.0 {0.605393507772 0.456499356661 0.383990065045} O4 2141 -1 1 {} H 0.0 {0.614260434779 0.450914858956 0.384638346835} H4 2142 -1 14 {} Si 0.0 {0.592496616149 0.328024852191 0.318962416642} Si1 2143 -1 8 {} O 0.0 {0.60931718537 0.335297108269 0.317155178758} O1 2144 -1 1 {} H 0.0 {0.611502678722 0.336578970745 0.306968809224} H1 2145 -1 8 {} O 0.0 {0.591699157746 0.700525477436 0.334502810853} O2 2146 -1 1 {} H 0.0 {0.599356597317 0.693342777578 0.334483386034} H2 2147 -1 8 {} O 0.0 {0.580001696658 0.341517343566 0.319503501896} O3 2148 -1 1 {} H 0.0 {0.571194960351 0.338298300054 0.314783876018} H3 2149 -1 8 {} O 0.0 {0.588958756845 0.699257061973 0.304714895492} O4 2150 -1 1 {} H 0.0 {0.579572979459 0.701690140672 0.300659725909} H4 2151 -1 14 {} Si 0.0 {0.377528629321 0.41903182819 0.58829618393} Si1 2152 -1 8 {} O 0.0 {0.377944272039 0.410964550327 0.571758327227} O1 2153 -1 1 {} H 0.0 {0.387151636514 0.406080489589 0.570487006008} H1 2154 -1 8 {} O 0.0 {0.36691694006 0.434039093286 0.587538237231} O2 2155 -1 1 {} H 0.0 {0.372815378856 0.442364952506 0.585084057638} H2 2156 -1 8 {} O 0.0 {0.370651310275 0.407304849739 0.600683213469} O3 2157 -1 1 {} H 0.0 {0.363952491051 0.412403025735 0.606957345286} H3 2158 -1 8 {} O 0.0 {0.394588858511 0.42382489124 0.593226817861} O4 2159 -1 1 {} H 0.0 {0.395828349738 0.422193289795 0.603523021697} H4 2160 -1 14 {} Si 0.0 {0.67608015079 0.467135769882 0.645428164314} Si1 2161 -1 8 {} O 0.0 {0.658892413687 0.470684277896 0.639903068027} O1 2162 -1 1 {} H 0.0 {0.658952137572 0.478910966352 0.633377704981} H1 2163 -1 8 {} O 0.0 {0.679116419874 0.475266125857 0.661658649811} O2 2164 -1 1 {} H 0.0 {0.304792467862 0.482071254173 0.660721749659} H2 2165 -1 8 {} O 0.0 {0.678323303947 0.448961984707 0.647160683266} O3 2166 -1 1 {} H 0.0 {0.676691995424 0.44435003994 0.637873234538} H3 2167 -1 8 {} O 0.0 {0.305718412579 0.473631234789 0.632994385515} O4 2168 -1 1 {} H 0.0 {0.305071984093 0.467918867544 0.62421681673} H4 2169 -1 14 {} Si 0.0 {0.335046289731 0.340425800622 0.427612333154} Si1 2170 -1 8 {} O 0.0 {0.330184024531 0.350817212428 0.442004863579} O1 2171 -1 1 {} H 0.0 {0.33221973706 0.345632537246 0.45090147825} H1 2172 -1 8 {} O 0.0 {0.343514892853 0.707489508882 0.433576468741} O2 2173 -1 1 {} H 0.0 {0.35372080382 0.325776319562 0.431305482857} H2 2174 -1 8 {} O 0.0 {0.319985530133 0.335796429498 0.418062487744} O3 2175 -1 1 {} H 0.0 {0.322814406857 0.330907167488 0.40921205428} H3 2176 -1 8 {} O 0.0 {0.346514528555 0.349892652049 0.416818964828} O4 2177 -1 1 {} H 0.0 {0.340980845577 0.35538588959 0.409816082466} H4 2178 -1 14 {} Si 0.0 {0.458125157616 0.381671083065 0.456959505754} Si1 2179 -1 8 {} O 0.0 {0.449740386916 0.365291819457 0.457018215507} O1 2180 -1 1 {} H 0.0 {0.456598263764 0.357854854477 0.454229678515} H1 2181 -1 8 {} O 0.0 {0.475645996729 0.379597396598 0.451743592978} O2 2182 -1 1 {} H 0.0 {0.478240663045 0.387309222377 0.44509745274} H2 2183 -1 8 {} O 0.0 {0.449545146225 0.392893041247 0.445209068094} O3 2184 -1 1 {} H 0.0 {0.441903003205 0.39803676866 0.450240998972} H3 2185 -1 8 {} O 0.0 {0.457568933867 0.388912827682 0.473863256535} O4 2186 -1 1 {} H 0.0 {0.456866733908 0.399369171537 0.47315630186} H4 2187 -1 14 {} Si 0.0 {0.469574450867 0.667875711628 0.495445860433} Si1 2188 -1 8 {} O 0.0 {0.477795595079 0.668396620895 0.511899636337} O1 2189 -1 1 {} H 0.0 {0.473397379442 0.675915578269 0.517758200162} H1 2190 -1 8 {} O 0.0 {0.479975735766 0.676724073644 0.483115136926} O2 2191 -1 1 {} H 0.0 {0.475919156726 0.675377526686 0.473526494812} H2 2192 -1 8 {} O 0.0 {0.467426669068 0.650363330875 0.49021290631} O3 2193 -1 1 {} H 0.0 {0.457894205193 0.649126029649 0.485993065752} H3 2194 -1 8 {} O 0.0 {0.453104984118 0.676022137624 0.496551132859} O4 2195 -1 1 {} H 0.0 {0.445968436693 0.669039649575 0.499792800881} H4 2196 -1 14 {} Si 0.0 {0.58804925372 0.35208856324 0.354792102068} Si1 2197 -1 8 {} O 0.0 {0.582028280943 0.340868329724 0.341490837068} O1 2198 -1 1 {} H 0.0 {0.583610414022 0.330894675859 0.34435418725} H1 2199 -1 8 {} O 0.0 {0.603169634362 0.34496239216 0.362482922487} O2 2200 -1 1 {} H 0.0 {0.603685657442 0.334706823738 0.360316598782} H2 2201 -1 8 {} O 0.0 {0.592019708746 0.368533463723 0.347586266886} O3 2202 -1 1 {} H 0.0 {0.599497906558 0.373140289883 0.353333896266} H3 2203 -1 8 {} O 0.0 {0.574977516036 0.354011131264 0.367611090159} O4 2204 -1 1 {} H 0.0 {0.576955839198 0.347519188109 0.375619466099} H4 2205 -1 14 {} Si 0.0 {0.523840919114 0.642508174552 0.564542931419} Si1 2206 -1 8 {} O 0.0 {0.529079034669 0.631642127285 0.578441089572} O1 2207 -1 1 {} H 0.0 {0.538587742411 0.634589077251 0.58178002763} H1 2208 -1 8 {} O 0.0 {0.51749149568 0.632156940336 0.550728610942} O2 2209 -1 1 {} H 0.0 {0.520764741493 0.636154735743 0.541587480441} H2 2210 -1 8 {} O 0.0 {0.510557405886 0.653863727082 0.570309783973} O3 2211 -1 1 {} H 0.0 {0.508581486039 0.660992623707 0.562856710546} H3 2212 -1 8 {} O 0.0 {0.538234495572 0.652364048778 0.558690262169} O4 2213 -1 1 {} H 0.0 {0.542676543312 0.657243631861 0.566857072503} H4 2214 -1 14 {} Si 0.0 {0.600268971619 0.410878443609 0.528744176478} Si1 2215 -1 8 {} O 0.0 {0.591789142478 0.423173687906 0.539483600532} O1 2216 -1 1 {} H 0.0 {0.594288425561 0.421350798476 0.549512102602} H1 2217 -1 8 {} O 0.0 {0.595173984882 0.3938901132 0.533645950478} O2 2218 -1 1 {} H 0.0 {0.596129282271 0.387450078646 0.525407188778} H2 2219 -1 8 {} O 0.0 {0.595625710641 0.413847291417 0.511186469259} O3 2220 -1 1 {} H 0.0 {0.593617684696 0.404663220736 0.506508695854} H3 2221 -1 8 {} O 0.0 {0.618487560851 0.412604813583 0.530663181322} O4 2222 -1 1 {} H 0.0 {0.622977291621 0.403140620541 0.529979847888} H4 2223 -1 14 {} Si 0.0 {0.538806761521 0.471929128476 0.520792489425} Si1 2224 -1 8 {} O 0.0 {0.554083012414 0.478410745923 0.512825352044} O1 2225 -1 1 {} H 0.0 {0.562007617944 0.478101983699 0.51970181857} H1 2226 -1 8 {} O 0.0 {0.532243503611 0.484446774928 0.532559171057} O2 2227 -1 1 {} H 0.0 {0.52396107506 0.480455301782 0.537626730958} H2 2228 -1 8 {} O 0.0 {0.526165913182 0.468426306495 0.507897899418} O3 2229 -1 1 {} H 0.0 {0.517777824571 0.463967891406 0.51236891299} H3 2230 -1 8 {} O 0.0 {0.542706127824 0.456430192319 0.529898184405} O4 2231 -1 1 {} H 0.0 {0.534037644494 0.452932736888 0.534684960866} H4 2232 -1 14 {} Si 0.0 {0.39466564234 0.502746875704 0.37253272514} Si1 2233 -1 8 {} O 0.0 {0.391330427011 0.503721629028 0.354495166839} O1 2234 -1 1 {} H 0.0 {0.389853750735 0.513739866333 0.351774271558} H1 2235 -1 8 {} O 0.0 {0.388351129184 0.517949125291 0.380775785927} O2 2236 -1 1 {} H 0.0 {0.38910325531 0.516847833367 0.391196737745} H2 2237 -1 8 {} O 0.0 {0.386164723762 0.487996760587 0.379516611712} O3 2238 -1 1 {} H 0.0 {0.387339227679 0.479862471603 0.373003271251} H3 2239 -1 8 {} O 0.0 {0.412803525217 0.501348491162 0.375317117885} O4 2240 -1 1 {} H 0.0 {0.417919138657 0.505049146341 0.366944537925} H4 2241 -1 14 {} Si 0.0 {0.450908946855 0.540827884948 0.511257405523} Si1 2242 -1 8 {} O 0.0 {0.468129742146 0.544858659718 0.5162684882} O1 2243 -1 1 {} H 0.0 {0.468390568528 0.546860978504 0.52656775372} H1 2244 -1 8 {} O 0.0 {0.439539550466 0.554063066907 0.517123745786} O2 2245 -1 1 {} H 0.0 {0.441690788842 0.556323956952 0.52714613785} H2 2246 -1 8 {} O 0.0 {0.449983486139 0.53963673168 0.492927372212} O3 2247 -1 1 {} H 0.0 {0.448092194158 0.549143642684 0.488915873174} H3 2248 -1 8 {} O 0.0 {0.445992258372 0.524744925232 0.518699829135} O4 2249 -1 1 {} H 0.0 {0.45145347996 0.517001382676 0.514174430116} H4 2250 -1 14 {} Si 0.0 {0.52357219508 0.628500390148 0.326742949739} Si1 2251 -1 8 {} O 0.0 {0.531639146942 0.643105351504 0.334485781666} O1 2252 -1 1 {} H 0.0 {0.538626545501 0.647185617791 0.327798328241} H1 2253 -1 8 {} O 0.0 {0.513597561354 0.619582843033 0.33937273109} O2 2254 -1 1 {} H 0.0 {0.512868418426 0.609449444014 0.336721358936} H2 2255 -1 8 {} O 0.0 {0.512592613451 0.634099139427 0.313087439692} O3 2256 -1 1 {} H 0.0 {0.502985101743 0.630107698508 0.314481801828} H3 2257 -1 8 {} O 0.0 {0.536455835097 0.617213695879 0.320021710995} O4 2258 -1 1 {} H 0.0 {0.531831646602 0.609342230145 0.314830892063} H4 2259 -1 14 {} Si 0.0 {0.483344721591 0.658527519482 0.677034320083} Si1 2260 -1 8 {} O 0.0 {0.483068123351 0.659681276134 0.313123036826} O1 2261 -1 1 {} H 0.0 {0.491178130562 0.654310566987 0.317076527056} H1 2262 -1 8 {} O 0.0 {0.466533763422 0.654227878657 0.670897237282} O2 2263 -1 1 {} H 0.0 {0.463945030004 0.644620711865 0.674255484834} H2 2264 -1 8 {} O 0.0 {0.488511516126 0.674713700973 0.669959320209} O3 2265 -1 1 {} H 0.0 {0.481744393925 0.677564687625 0.66245506684} H3 2266 -1 8 {} O 0.0 {0.495267457922 0.645489927303 0.671892051621} O4 2267 -1 1 {} H 0.0 {0.504842942083 0.649692000989 0.670960879264} H4 2268 -1 14 {} Si 0.0 {0.591680133462 0.600815344553 0.469620355727} Si1 2269 -1 8 {} O 0.0 {0.603764441971 0.609241059036 0.480643600355} O1 2270 -1 1 {} H 0.0 {0.598603552742 0.615296441245 0.487490071174} H1 2271 -1 8 {} O 0.0 {0.596068409439 0.604048275668 0.452062995048} O2 2272 -1 1 {} H 0.0 {0.588424515181 0.600422738077 0.445845996952} H2 2273 -1 8 {} O 0.0 {0.592117657452 0.58271893491 0.472760405583} O3 2274 -1 1 {} H 0.0 {0.601477003279 0.578911597222 0.469975918322} H3 2275 -1 8 {} O 0.0 {0.574762721407 0.607243013349 0.472997690849} O4 2276 -1 1 {} H 0.0 {0.567649594411 0.600523519558 0.46919148842} H4 2277 -1 14 {} Si 0.0 {0.499290896156 0.437595375366 0.65785014559} Si1 2278 -1 8 {} O 0.0 {0.49527037159 0.433649959243 0.640344548963} O1 2279 -1 1 {} H 0.0 {0.485583994612 0.429715073791 0.639804094651} H1 2280 -1 8 {} O 0.0 {0.499528508355 0.422083428893 0.667735454264} O2 2281 -1 1 {} H 0.0 {0.50362496978 0.424049062175 0.677197145263} H2 2282 -1 8 {} O 0.0 {0.515801368274 0.445652384516 0.658641907864} O3 2283 -1 1 {} H 0.0 {0.51493343278 0.454902052242 0.663532329469} H3 2284 -1 8 {} O 0.0 {0.48657288221 0.449004239901 0.664683228079} O4 2285 -1 1 {} H 0.0 {0.491205589455 0.457853613663 0.667907836765} H4 2286 -1 14 {} Si 0.0 {0.504808690415 0.426083356029 0.574014887693} Si1 2287 -1 8 {} O 0.0 {0.51772426744 0.429371060737 0.586697499519} O1 2288 -1 1 {} H 0.0 {0.513886837787 0.435894599401 0.593971147681} H1 2289 -1 8 {} O 0.0 {0.511795373514 0.415335988052 0.560808655353} O2 2290 -1 1 {} H 0.0 {0.508286806332 0.418570514303 0.551457700847} H2 2291 -1 8 {} O 0.0 {0.490495839604 0.417613811766 0.581900148426} O3 2292 -1 1 {} H 0.0 {0.481566505068 0.422053483471 0.578612540708} H3 2293 -1 8 {} O 0.0 {0.499232936543 0.442011506817 0.566664482174} O4 2294 -1 1 {} H 0.0 {0.490548699021 0.440386419756 0.560988605033} H4 2295 -1 14 {} Si 0.0 {0.518339914223 0.601224111121 0.608277211118} Si1 2296 -1 8 {} O 0.0 {0.502835589045 0.610747541167 0.605566545126} O1 2297 -1 1 {} H 0.0 {0.503915455392 0.620379567842 0.609592637342} H1 2298 -1 8 {} O 0.0 {0.528752432656 0.609884593031 0.620730949353} O2 2299 -1 1 {} H 0.0 {0.538887492157 0.608329511646 0.618488763474} H2 2300 -1 8 {} O 0.0 {0.514196087989 0.584369244834 0.614414147995} O3 2301 -1 1 {} H 0.0 {0.518622265641 0.577190122669 0.608165796301} H3 2302 -1 8 {} O 0.0 {0.527568452939 0.599912435374 0.59240931958} O4 2303 -1 1 {} H 0.0 {0.529000555701 0.58978826198 0.590027746949} H4 2304 -1 14 {} Si 0.0 {0.65822433913 0.689559775524 0.496816470013} Si1 2305 -1 8 {} O 0.0 {0.648213380743 0.683363188824 0.482675885701} O1 2306 -1 1 {} H 0.0 {0.64308091024 0.691382151394 0.478254223112} H1 2307 -1 8 {} O 0.0 {0.675495941392 0.683411138777 0.495242272833} O2 2308 -1 1 {} H 0.0 {0.677726982257 0.677151882153 0.503366713282} H2 2309 -1 8 {} O 0.0 {0.658239673299 0.325689616545 0.49673062627} O3 2310 -1 1 {} H 0.0 {0.668089324247 0.329171893538 0.497778660464} H3 2311 -1 8 {} O 0.0 {0.650943401756 0.683506515001 0.512603815952} O4 2312 -1 1 {} H 0.0 {0.658186831819 0.683961605861 0.520189775129} H4 2313 -1 14 {} Si 0.0 {0.6570144399 0.493588972164 0.524192624298} Si1 2314 -1 8 {} O 0.0 {0.646850500987 0.508594238846 0.521043340435} O1 2315 -1 1 {} H 0.0 {0.646242698555 0.510274773709 0.510698929977} H1 2316 -1 8 {} O 0.0 {0.672057615938 0.494063647898 0.513613409797} O2 2317 -1 1 {} H 0.0 {0.675954272249 0.48436991518 0.512662909397} H2 2318 -1 8 {} O 0.0 {0.66200325238 0.493131422818 0.541909788095} O3 2319 -1 1 {} H 0.0 {0.653624476356 0.490961205578 0.547842706558} H3 2320 -1 8 {} O 0.0 {0.647155702696 0.478572670172 0.520177223089} O4 2321 -1 1 {} H 0.0 {0.646563351582 0.472416250157 0.528653342379} H4 2322 -1 14 {} Si 0.0 {0.567641498871 0.592465601401 0.352809744816} Si1 2323 -1 8 {} O 0.0 {0.584292652241 0.599820285138 0.355490654555} O1 2324 -1 1 {} H 0.0 {0.591082228708 0.595673686403 0.348639472936} H1 2325 -1 8 {} O 0.0 {0.569453347239 0.575677676435 0.345510527156} O2 2326 -1 1 {} H 0.0 {0.567047797946 0.568454097125 0.352738337691} H2 2327 -1 8 {} O 0.0 {0.55882132125 0.591233464548 0.368917011913} O3 2328 -1 1 {} H 0.0 {0.549452881453 0.59590831995 0.368133963249} H3 2329 -1 8 {} O 0.0 {0.558001661445 0.603124092185 0.341320574735} O4 2330 -1 1 {} H 0.0 {0.547810569035 0.602616321272 0.343811486722} H4 2331 -1 14 {} Si 0.0 {0.623192494352 0.496175012311 0.655974299634} Si1 2332 -1 8 {} O 0.0 {0.618515536455 0.505355857863 0.640730618146} O1 2333 -1 1 {} H 0.0 {0.624810561398 0.502453482875 0.632844473485} H1 2334 -1 8 {} O 0.0 {0.622594533116 0.507554178286 0.670420536913} O2 2335 -1 1 {} H 0.0 {0.632279671913 0.511037967673 0.672522990643} H2 2336 -1 8 {} O 0.0 {0.611433751208 0.482274656669 0.658618104207} O3 2337 -1 1 {} H 0.0 {0.603985648889 0.485251920857 0.665388563896} H3 2338 -1 8 {} O 0.0 {0.640236547845 0.489512500902 0.654128957548} O4 2339 -1 1 {} H 0.0 {0.640762124696 0.480009180186 0.658556971675} H4 2340 -1 14 {} Si 0.0 {0.579944349411 0.705248157154 0.381440625289} Si1 2341 -1 8 {} O 0.0 {0.584420457432 0.705058176606 0.363566746527} O1 2342 -1 1 {} H 0.0 {0.591775499224 0.697771687348 0.361873083788} H1 2343 -1 8 {} O 0.0 {0.564567498048 0.332824113797 0.383771363978} O2 2344 -1 1 {} H 0.0 {0.563659977218 0.335541851435 0.393863369448} H2 2345 -1 8 {} O 0.0 {0.577160656261 0.688016462757 0.387310461535} O3 2346 -1 1 {} H 0.0 {0.578467923528 0.687600309023 0.397691887156} H3 2347 -1 8 {} O 0.0 {0.593605230815 0.330535807526 0.391116874777} O4 2348 -1 1 {} H 0.0 {0.594344849316 0.325715702236 0.4004176} H4 2349 -1 14 {} Si 0.0 {0.506828407003 0.327887598894 0.426539282594} Si1 2350 -1 8 {} O 0.0 {0.497510754222 0.331051465272 0.410991702578} O1 2351 -1 1 {} H 0.0 {0.501783115229 0.339219196409 0.405966506552} H1 2352 -1 8 {} O 0.0 {0.517737859588 0.342242849428 0.430181428605} O2 2353 -1 1 {} H 0.0 {0.517395765427 0.344357534458 0.440459664227} H2 2354 -1 8 {} O 0.0 {0.494977115038 0.325526249806 0.440422205434} O3 2355 -1 1 {} H 0.0 {0.492079728969 0.697718050072 0.44086423557} H3 2356 -1 8 {} O 0.0 {0.517091756236 0.695011242144 0.424560221357} O4 2357 -1 1 {} H 0.0 {0.517707751402 0.689986106169 0.433756507159} H4 2358 -1 14 {} Si 0.0 {0.671462795047 0.350249659981 0.513132019166} Si1 2359 -1 8 {} O 0.0 {0.675680190048 0.363643476732 0.52501826631} O1 2360 -1 1 {} H 0.0 {0.669009785714 0.3716610752 0.523748225099} H1 2361 -1 8 {} O 0.0 {0.670345649633 0.357185681937 0.496112745023} O2 2362 -1 1 {} H 0.0 {0.661096106708 0.354561178167 0.491873891575} H2 2363 -1 8 {} O 0.0 {0.302244057531 0.337284527883 0.513619205828} O3 2364 -1 1 {} H 0.0 {0.306363008087 0.336114119464 0.504031159036} H3 2365 -1 8 {} O 0.0 {0.655290191156 0.342870397751 0.517802984661} O4 2366 -1 1 {} H 0.0 {0.656635062002 0.332738285224 0.520141477981} H4 2367 -1 14 {} Si 0.0 {0.32413023109 0.377332090518 0.345203493823} Si1 2368 -1 8 {} O 0.0 {0.329607058158 0.384775594311 0.361113577691} O1 2369 -1 1 {} H 0.0 {0.321391062566 0.389252700779 0.365874847553} H1 2370 -1 8 {} O 0.0 {0.30766847739 0.384147474046 0.340596976225} O2 2371 -1 1 {} H 0.0 {0.307932290129 0.387474306422 0.330642780021} H2 2372 -1 8 {} O 0.0 {0.336326514734 0.381346085629 0.332019898819} O3 2373 -1 1 {} H 0.0 {0.338958478369 0.372558856841 0.326912035071} H3 2374 -1 8 {} O 0.0 {0.322915416418 0.35906321461 0.347084853311} O4 2375 -1 1 {} H 0.0 {0.327722251504 0.35439727562 0.339004024108} H4 2376 -1 14 {} Si 0.0 {0.601839646119 0.422668693192 0.622603752151} Si1 2377 -1 8 {} O 0.0 {0.597084421922 0.431753984197 0.637889499862} O1 2378 -1 1 {} H 0.0 {0.605277104102 0.432064084276 0.644456469267} H1 2379 -1 8 {} O 0.0 {0.619662949629 0.418183968547 0.623423532857} O2 2380 -1 1 {} H 0.0 {0.62505242302 0.424051887656 0.616586923717} H2 2381 -1 8 {} O 0.0 {0.591728377675 0.407389432863 0.621113349024} O3 2382 -1 1 {} H 0.0 {0.595406031231 0.40153184198 0.613218690558} H3 2383 -1 8 {} O 0.0 {0.59887010864 0.433334855291 0.607946728773} O4 2384 -1 1 {} H 0.0 {0.59679317448 0.427283204749 0.599614407552} H4 2385 -1 14 {} Si 0.0 {0.322942761703 0.540601192232 0.648680908253} Si1 2386 -1 8 {} O 0.0 {0.33322633123 0.554159305551 0.65563740989} O1 2387 -1 1 {} H 0.0 {0.342668924205 0.550374134563 0.658244756962} H1 2388 -1 8 {} O 0.0 {0.305485611099 0.546239442285 0.647230104211} O2 2389 -1 1 {} H 0.0 {0.299666019903 0.541491153994 0.654573026823} H2 2390 -1 8 {} O 0.0 {0.329329769716 0.536001561947 0.632044319244} O3 2391 -1 1 {} H 0.0 {0.332898917724 0.526127634177 0.632279676711} H3 2392 -1 8 {} O 0.0 {0.323741210295 0.526002841922 0.659826618929} O4 2393 -1 1 {} H 0.0 {0.331812608594 0.527102034636 0.666449091752} H4 2394 -1 14 {} Si 0.0 {0.344000219764 0.514381526922 0.554071630811} Si1 2395 -1 8 {} O 0.0 {0.330364823895 0.510238292936 0.542451752621} O1 2396 -1 1 {} H 0.0 {0.330335280723 0.517113658127 0.534523933934} H1 2397 -1 8 {} O 0.0 {0.34160541871 0.531469079811 0.560493478409} O2 2398 -1 1 {} H 0.0 {0.342988953669 0.538353013385 0.552700367258} H2 2399 -1 8 {} O 0.0 {0.343939206183 0.502422956561 0.568085483771} O3 2400 -1 1 {} H 0.0 {0.352578021932 0.503793615339 0.573886338199} H3 2401 -1 8 {} O 0.0 {0.360093157014 0.51339342731 0.545245490302} O4 2402 -1 1 {} H 0.0 {0.367850791879 0.51586560227 0.55187313888} H4 2403 -1 14 {} Si 0.0 {0.559520352961 0.474735166049 0.399728009427} Si1 2404 -1 8 {} O 0.0 {0.564316666644 0.457923595351 0.405458236119} O1 2405 -1 1 {} H 0.0 {0.55707280502 0.450988572503 0.402370191415} H1 2406 -1 8 {} O 0.0 {0.541643151224 0.477503819886 0.403070780689} O2 2407 -1 1 {} H 0.0 {0.540316376554 0.487044059861 0.407253963483} H2 2408 -1 8 {} O 0.0 {0.569453861082 0.48732439598 0.408731267434} O3 2409 -1 1 {} H 0.0 {0.574626677252 0.493271962612 0.401816906028} H3 2410 -1 8 {} O 0.0 {0.562672163103 0.476194223084 0.381656327701} O4 2411 -1 1 {} H 0.0 {0.558586156055 0.485189512846 0.378117156437} H4 2412 -1 14 {} Si 0.0 {0.388134647055 0.488675294428 0.316138130712} Si1 2413 -1 8 {} O 0.0 {0.393645907734 0.471121697321 0.316322954871} O1 2414 -1 1 {} H 0.0 {0.392070988261 0.466866611343 0.306856560541} H1 2415 -1 8 {} O 0.0 {0.370391887249 0.489578275496 0.320881664839} O2 2416 -1 1 {} H 0.0 {0.365836033263 0.497552123602 0.315804148172} H2 2417 -1 8 {} O 0.0 {0.398177892443 0.498396505611 0.328106301256} O3 2418 -1 1 {} H 0.0 {0.393958050465 0.50794756411 0.329250540103} H3 2419 -1 8 {} O 0.0 {0.39033922621 0.495605795348 0.299241869511} O4 2420 -1 1 {} H 0.0 {0.396021375993 0.504420892509 0.299800490213} H4 2421 -1 14 {} Si 0.0 {0.570495772606 0.516170428508 0.593391377476} Si1 2422 -1 8 {} O 0.0 {0.565690180158 0.523732136882 0.577313102213} O1 2423 -1 1 {} H 0.0 {0.571615047283 0.519683156676 0.569644758825} H1 2424 -1 8 {} O 0.0 {0.588454630879 0.512218117423 0.593183446619} O2 2425 -1 1 {} H 0.0 {0.589861986026 0.502605124353 0.589228051915} H2 2426 -1 8 {} O 0.0 {0.567037312591 0.527999428444 0.607018620498} O3 2427 -1 1 {} H 0.0 {0.565641901235 0.522705922773 0.615971537226} H3 2428 -1 8 {} O 0.0 {0.560824526993 0.500739196465 0.596058788231} O4 2429 -1 1 {} H 0.0 {0.55524284769 0.501606441202 0.604912049957} H4 2430 -1 14 {} Si 0.0 {0.488584564305 0.499994028632 0.319249460018} Si1 2431 -1 8 {} O 0.0 {0.49160334998 0.508326603942 0.335297933113} O1 2432 -1 1 {} H 0.0 {0.501906054178 0.50996618368 0.336435479049} H1 2433 -1 8 {} O 0.0 {0.476058840252 0.486702774035 0.321500090633} O2 2434 -1 1 {} H 0.0 {0.478976753064 0.478208468393 0.316074320734} H2 2435 -1 8 {} O 0.0 {0.482399760005 0.512272263829 0.307048754054} O3 2436 -1 1 {} H 0.0 {0.478249006331 0.507228229674 0.298844656104} H3 2437 -1 8 {} O 0.0 {0.504330130508 0.492668610609 0.313152300422} O4 2438 -1 1 {} H 0.0 {0.508842694753 0.499264821377 0.306367789503} H4 2439 -1 14 {} Si 0.0 {0.397768405368 0.58868194178 0.419077042518} Si1 2440 -1 8 {} O 0.0 {0.414578010897 0.595222675659 0.422642113009} O1 2441 -1 1 {} H 0.0 {0.420005641113 0.595949296197 0.413685405184} H1 2442 -1 8 {} O 0.0 {0.399190883681 0.57285724921 0.409807691638} O2 2443 -1 1 {} H 0.0 {0.401406778196 0.565080385236 0.416508868157} H2 2444 -1 8 {} O 0.0 {0.388824021447 0.585739546596 0.434873793885} O3 2445 -1 1 {} H 0.0 {0.378543875463 0.584794499548 0.432938837373} H3 2446 -1 8 {} O 0.0 {0.388473220622 0.600914040252 0.408959892564} O4 2447 -1 1 {} H 0.0 {0.38928433351 0.610409283825 0.413372806212} H4 2448 -1 14 {} Si 0.0 {0.577406042625 0.554237894229 0.516338227999} Si1 2449 -1 8 {} O 0.0 {0.569143666306 0.538424883014 0.520822576207} O1 2450 -1 1 {} H 0.0 {0.559202319054 0.538603321136 0.51744860995} H1 2451 -1 8 {} O 0.0 {0.571881293509 0.567522619811 0.52780936503} O2 2452 -1 1 {} H 0.0 {0.563020630128 0.571815874659 0.524164331955} H2 2453 -1 8 {} O 0.0 {0.595647539525 0.552214284455 0.517636429605} O3 2454 -1 1 {} H 0.0 {0.598405757893 0.542861921422 0.513740854839} H3 2455 -1 8 {} O 0.0 {0.572947738594 0.558792273667 0.499080674693} O4 2456 -1 1 {} H 0.0 {0.570831843558 0.550082590612 0.493613434682} H4 2457 -1 14 {} Si 0.0 {0.47555251286 0.544674577667 0.547210165362} Si1 2458 -1 8 {} O 0.0 {0.457859989299 0.548991111626 0.544562620434} O1 2459 -1 1 {} H 0.0 {0.451785329496 0.541794249654 0.549193122386} H1 2460 -1 8 {} O 0.0 {0.481641580765 0.534725730943 0.532977423358} O2 2461 -1 1 {} H 0.0 {0.491044694507 0.53068162285 0.535319242393} H2 2462 -1 8 {} O 0.0 {0.485476787147 0.560107577454 0.548602311671} O3 2463 -1 1 {} H 0.0 {0.495410235198 0.558124287188 0.545847957187} H3 2464 -1 8 {} O 0.0 {0.477228217917 0.534878179435 0.562697428541} O4 2465 -1 1 {} H 0.0 {0.487277357059 0.532139486843 0.564019466301} H4 2466 -1 14 {} Si 0.0 {0.364860964905 0.527653045642 0.611439984392} Si1 2467 -1 8 {} O 0.0 {0.377141190863 0.514372289477 0.608153277546} O1 2468 -1 1 {} H 0.0 {0.374864194494 0.509714541576 0.599014539146} H1 2469 -1 8 {} O 0.0 {0.35379472943 0.522488095655 0.625215787036} O2 2470 -1 1 {} H 0.0 {0.347061795204 0.515218898874 0.621752168636} H2 2471 -1 8 {} O 0.0 {0.373625214854 0.5431452591 0.616107338708} O3 2472 -1 1 {} H 0.0 {0.380970083419 0.545297449231 0.608924023273} H3 2473 -1 8 {} O 0.0 {0.354897796644 0.530599324411 0.596264304785} O4 2474 -1 1 {} H 0.0 {0.359159130656 0.538459338789 0.590761661149} H4 2475 -1 14 {} Si 0.0 {0.530739786417 0.571335744886 0.444360248814} Si1 2476 -1 8 {} O 0.0 {0.544234352765 0.583793009589 0.445375851093} O1 2477 -1 1 {} H 0.0 {0.551813076491 0.581284587189 0.438562805917} H1 2478 -1 8 {} O 0.0 {0.528469289896 0.563459397803 0.460819911791} O2 2479 -1 1 {} H 0.0 {0.519933123988 0.567440156229 0.465448799319} H2 2480 -1 8 {} O 0.0 {0.515103761989 0.579615257603 0.439321212148} O3 2481 -1 1 {} H 0.0 {0.513780721223 0.578558470576 0.428961317263} H3 2482 -1 8 {} O 0.0 {0.535168769208 0.558491469868 0.431931636863} O4 2483 -1 1 {} H 0.0 {0.527854495312 0.550959604493 0.43193117937} H4 2484 -1 14 {} Si 0.0 {0.463152287121 0.702942151944 0.608713622498} Si1 2485 -1 8 {} O 0.0 {0.448414033655 0.693131050022 0.613705846455} O1 2486 -1 1 {} H 0.0 {0.443304576422 0.698167884679 0.621369092374} H1 2487 -1 8 {} O 0.0 {0.475937201254 0.701950492819 0.621909438298} O2 2488 -1 1 {} H 0.0 {0.47666727305 0.328963024809 0.626767250634} H2 2489 -1 8 {} O 0.0 {0.469995197068 0.696175614856 0.593029417451} O3 2490 -1 1 {} H 0.0 {0.465169548221 0.700700466675 0.584880578659} H3 2491 -1 8 {} O 0.0 {0.45825697315 0.338234240461 0.606213973279} O4 2492 -1 1 {} H 0.0 {0.466848595051 0.344068599763 0.604691153367} H4 2493 -1 14 {} Si 0.0 {0.337378592341 0.656497800345 0.630310185347} Si1 2494 -1 8 {} O 0.0 {0.342355237986 0.646589596439 0.615623843327} O1 2495 -1 1 {} H 0.0 {0.333816870529 0.642390997272 0.611191790899} H1 2496 -1 8 {} O 0.0 {0.333913928127 0.645221716843 0.644433239733} O2 2497 -1 1 {} H 0.0 {0.333547918324 0.650784272492 0.653331989525} H2 2498 -1 8 {} O 0.0 {0.351004767276 0.668002866663 0.634845474872} O3 2499 -1 1 {} H 0.0 {0.347316803081 0.675402478032 0.641317744208} H3 2500 -1 8 {} O 0.0 {0.322241531363 0.66617690864 0.626338059698} O4 2501 -1 1 {} H 0.0 {0.322598573046 0.675409329187 0.631320856788} H4 2502 -1 14 {} Si 0.0 {0.445104031259 0.528683227 0.380651865242} Si1 2503 -1 8 {} O 0.0 {0.448042957589 0.513606930269 0.370509492112} O1 2504 -1 1 {} H 0.0 {0.441965273982 0.513920806396 0.361948997672} H1 2505 -1 8 {} O 0.0 {0.439614164779 0.542437951793 0.369754173882} O2 2506 -1 1 {} H 0.0 {0.435474062484 0.550093183171 0.375626674447} H2 2507 -1 8 {} O 0.0 {0.432071290452 0.525197632585 0.393165670263} O3 2508 -1 1 {} H 0.0 {0.433670527351 0.531191000444 0.401635237758} H3 2509 -1 8 {} O 0.0 {0.460683831315 0.533501997668 0.389180732885} O4 2510 -1 1 {} H 0.0 {0.458430288729 0.537140989166 0.398763805323} H4 2511 -1 14 {} Si 0.0 {0.519684877455 0.613073523419 0.467984866866} Si1 2512 -1 8 {} O 0.0 {0.523407554204 0.630372034065 0.473105926936} O1 2513 -1 1 {} H 0.0 {0.517668621331 0.632827998918 0.481541590403} H1 2514 -1 8 {} O 0.0 {0.502546314611 0.608743754441 0.473022500174} O2 2515 -1 1 {} H 0.0 {0.501948164075 0.598421918205 0.474803117577} H2 2516 -1 8 {} O 0.0 {0.521257456818 0.611599222348 0.449704562322} O3 2517 -1 1 {} H 0.0 {0.520996802534 0.601461595945 0.446987191205} H3 2518 -1 8 {} O 0.0 {0.531570897068 0.601597822163 0.476084507216} O4 2519 -1 1 {} H 0.0 {0.535836736132 0.595307020826 0.468835576003} H4 2520 -1 14 {} Si 0.0 {0.51538909602 0.691084497202 0.333783172464} Si1 2521 -1 8 {} O 0.0 {0.501557617666 0.703100729188 0.335560999428} O1 2522 -1 1 {} H 0.0 {0.49255750654 0.69851207919 0.33269943585} H1 2523 -1 8 {} O 0.0 {0.531280205712 0.699366802452 0.33795547866} O2 2524 -1 1 {} H 0.0 {0.532025610631 0.326108455705 0.33261627565} H2 2525 -1 8 {} O 0.0 {0.512687436771 0.676878249369 0.345143283029} O3 2526 -1 1 {} H 0.0 {0.521933547573 0.673543103536 0.348820599763} H3 2527 -1 8 {} O 0.0 {0.516032906598 0.684970441671 0.316458619885} O4 2528 -1 1 {} H 0.0 {0.519083565762 0.674921535893 0.316431232657} H4 2529 -1 14 {} Si 0.0 {0.324271639487 0.60684238255 0.448255829365} Si1 2530 -1 8 {} O 0.0 {0.339495575348 0.610360445469 0.457967685103} O1 2531 -1 1 {} H 0.0 {0.344194603532 0.61891823778 0.454105597861} H1 2532 -1 8 {} O 0.0 {0.324012078588 0.589071835447 0.443470603133} O2 2533 -1 1 {} H 0.0 {0.321908940903 0.583209757783 0.451927295139} H2 2534 -1 8 {} O 0.0 {0.309458079182 0.610664263466 0.458463436886} O3 2535 -1 1 {} H 0.0 {0.301178538237 0.605428684869 0.454687034448} H3 2536 -1 8 {} O 0.0 {0.324115540107 0.617281721277 0.433119230831} O4 2537 -1 1 {} H 0.0 {0.322497252144 0.627294915329 0.43580095238} H4 2538 -1 14 {} Si 0.0 {0.559718712891 0.47857864099 0.479858801583} Si1 2539 -1 8 {} O 0.0 {0.568011838939 0.465201076376 0.470334547001} O1 2540 -1 1 {} H 0.0 {0.572611510732 0.469304748345 0.461843321191} H1 2541 -1 8 {} O 0.0 {0.547188016787 0.486847063929 0.469211787325} O2 2542 -1 1 {} H 0.0 {0.537694636317 0.482859897708 0.47125770805} H2 2543 -1 8 {} O 0.0 {0.551435860932 0.471355852237 0.494611115072} O3 2544 -1 1 {} H 0.0 {0.558365043825 0.465636578038 0.500045603306} H3 2545 -1 8 {} O 0.0 {0.572246540381 0.490912435567 0.485283327166} O4 2546 -1 1 {} H 0.0 {0.577634872168 0.48705646695 0.493426114565} H4 2547 -1 14 {} Si 0.0 {0.610108647861 0.476100828875 0.470197993735} Si1 2548 -1 8 {} O 0.0 {0.591705589667 0.476550993335 0.469296905647} O1 2549 -1 1 {} H 0.0 {0.588426072106 0.486515818044 0.469700138584} H1 2550 -1 8 {} O 0.0 {0.615697344667 0.459244807654 0.475010697696} O2 2551 -1 1 {} H 0.0 {0.624595240174 0.45997881186 0.480570625506} H2 2552 -1 8 {} O 0.0 {0.617064254387 0.480398295426 0.453722022518} O3 2553 -1 1 {} H 0.0 {0.620599202444 0.471706997622 0.449063029045} H3 2554 -1 8 {} O 0.0 {0.61599511328 0.488270086466 0.482709000371} O4 2555 -1 1 {} H 0.0 {0.62548001554 0.491837389148 0.479918263306} H4 2556 -1 14 {} Si 0.0 {0.571726176782 0.635630873102 0.648179956379} Si1 2557 -1 8 {} O 0.0 {0.571602699225 0.653654099912 0.651829435473} O1 2558 -1 1 {} H 0.0 {0.574884577432 0.658941608345 0.643386246185} H1 2559 -1 8 {} O 0.0 {0.585295754589 0.631822722268 0.63635980873} O2 2560 -1 1 {} H 0.0 {0.58669064027 0.639978600832 0.629909566821} H2 2561 -1 8 {} O 0.0 {0.574409344663 0.626250065474 0.663791395518} O3 2562 -1 1 {} H 0.0 {0.580222308099 0.617733722695 0.661786802681} H3 2563 -1 8 {} O 0.0 {0.555596823557 0.630759988656 0.640743796416} O4 2564 -1 1 {} H 0.0 {0.548412186821 0.63811320873 0.642860335083} H4 2565 -1 14 {} Si 0.0 {0.298887166011 0.460265177482 0.472610666821} Si1 2566 -1 8 {} O 0.0 {0.674571529591 0.462440543363 0.489633896279} O1 2567 -1 1 {} H 0.0 {0.6691609238 0.47142773806 0.490158853555} H1 2568 -1 8 {} O 0.0 {0.316444273829 0.465765034741 0.472069909524} O2 2569 -1 1 {} H 0.0 {0.317703352624 0.472679954101 0.464274872787} H2 2570 -1 8 {} O 0.0 {0.680119910176 0.442530885371 0.467831563859} O3 2571 -1 1 {} H 0.0 {0.679189707509 0.441770181269 0.457401668177} H3 2572 -1 8 {} O 0.0 {0.671190671454 0.470351929278 0.460891119011} O4 2573 -1 1 {} H 0.0 {0.66152178702 0.471658371614 0.464784656093} H4 2574 -1 14 {} Si 0.0 {0.432936735407 0.438281276075 0.52277419869} Si1 2575 -1 8 {} O 0.0 {0.429583147656 0.420351947964 0.520324694766} O1 2576 -1 1 {} H 0.0 {0.438600738361 0.415002568102 0.520912996556} H1 2577 -1 8 {} O 0.0 {0.423986016444 0.448007165883 0.509983834578} O2 2578 -1 1 {} H 0.0 {0.423813625092 0.458126113649 0.512788591803} H2 2579 -1 8 {} O 0.0 {0.427171612198 0.443380379371 0.5394831763} O3 2580 -1 1 {} H 0.0 {0.431011254944 0.452886821442 0.54174406884} H3 2581 -1 8 {} O 0.0 {0.451008564782 0.441400932179 0.521304507859} O4 2582 -1 1 {} H 0.0 {0.452577317312 0.450818071297 0.516929254189} H4 2583 -1 14 {} Si 0.0 {0.561988870317 0.350575628257 0.351357433493} Si1 2584 -1 8 {} O 0.0 {0.560206935313 0.348221199771 0.33322180127} O1 2585 -1 1 {} H 0.0 {0.5657681086 0.355572211234 0.328217466825} H1 2586 -1 8 {} O 0.0 {0.56825749821 0.367563335374 0.354706491702} O2 2587 -1 1 {} H 0.0 {0.567409206916 0.369650022206 0.364954815225} H2 2588 -1 8 {} O 0.0 {0.545630021393 0.348321114812 0.359469167941} O3 2589 -1 1 {} H 0.0 {0.542944448581 0.357170102105 0.364426064247} H3 2590 -1 8 {} O 0.0 {0.573870958187 0.338203203569 0.358007506946} O4 2591 -1 1 {} H 0.0 {0.569080166176 0.332320098449 0.365249755799} H4 2592 -1 14 {} Si 0.0 {0.603079350667 0.380918394566 0.576604326573} Si1 2593 -1 8 {} O 0.0 {0.599439334293 0.39307390089 0.58991562915} O1 2594 -1 1 {} H 0.0 {0.589226576191 0.39265877884 0.592323815273} H1 2595 -1 8 {} O 0.0 {0.59834003768 0.388005867082 0.560277088891} O2 2596 -1 1 {} H 0.0 {0.589059388254 0.392834888808 0.561116445027} H2 2597 -1 8 {} O 0.0 {0.621063650619 0.37707118501 0.576617151716} O3 2598 -1 1 {} H 0.0 {0.622600085551 0.367592842372 0.572388962936} H3 2599 -1 8 {} O 0.0 {0.59349778357 0.36550547208 0.579641326371} O4 2600 -1 1 {} H 0.0 {0.593478630955 0.359636554889 0.570942781494} H4 2601 -1 14 {} Si 0.0 {0.546705982765 0.456873349776 0.575083008308} Si1 2602 -1 8 {} O 0.0 {0.530043892647 0.449819066912 0.571774137438} O1 2603 -1 1 {} H 0.0 {0.526305321333 0.453779205318 0.56279557723} H1 2604 -1 8 {} O 0.0 {0.551006362224 0.454418070482 0.592805927} O2 2605 -1 1 {} H 0.0 {0.550333693308 0.463597584993 0.597863407048} H2 2606 -1 8 {} O 0.0 {0.559160291045 0.448402272076 0.564511612535} O3 2607 -1 1 {} H 0.0 {0.560510044733 0.438562179454 0.567914678858} H3 2608 -1 8 {} O 0.0 {0.546606209951 0.47485841591 0.571227480678} O4 2609 -1 1 {} H 0.0 {0.540714219224 0.476562005744 0.562704210637} H4 2610 -1 14 {} Si 0.0 {0.545010717612 0.430728651765 0.311719294073} Si1 2611 -1 8 {} O 0.0 {0.54976642852 0.430876375714 0.676210311393} O1 2612 -1 1 {} H 0.0 {0.548940787044 0.440645728357 0.67245874366} H1 2613 -1 8 {} O 0.0 {0.526692032339 0.429793456486 0.313150393659} O2 2614 -1 1 {} H 0.0 {0.522361200214 0.437618721419 0.307651414127} H2 2615 -1 8 {} O 0.0 {0.552562492343 0.416117155148 0.319966570966} O3 2616 -1 1 {} H 0.0 {0.545176295138 0.408846363682 0.321623862121} H3 2617 -1 8 {} O 0.0 {0.551014820979 0.446118172408 0.319823381368} O4 2618 -1 1 {} H 0.0 {0.550905325857 0.444842907279 0.330246022684} H4 2619 -1 14 {} Si 0.0 {0.382463604281 0.346350982393 0.575225675796} Si1 2620 -1 8 {} O 0.0 {0.394147387302 0.354578299914 0.58681981567} O1 2621 -1 1 {} H 0.0 {0.397609295718 0.36350262211 0.582527114876} H1 2622 -1 8 {} O 0.0 {0.38261227439 0.355159448948 0.559083297581} O2 2623 -1 1 {} H 0.0 {0.381803963313 0.348168295433 0.551297411757} H2 2624 -1 8 {} O 0.0 {0.387638287566 0.328875714502 0.57270809123} O3 2625 -1 1 {} H 0.0 {0.381710857792 0.704861876611 0.578659507183} H3 2626 -1 8 {} O 0.0 {0.365464401673 0.346796962198 0.582274439662} O4 2627 -1 1 {} H 0.0 {0.362697170828 0.337144878297 0.585327813784} H4 2628 -1 14 {} Si 0.0 {0.556987501694 0.397503820514 0.515678226166} Si1 2629 -1 8 {} O 0.0 {0.573439575887 0.39781202339 0.523907481212} O1 2630 -1 1 {} H 0.0 {0.574818352299 0.407102094703 0.528598020888} H1 2631 -1 8 {} O 0.0 {0.558979966064 0.392066272005 0.49821655533} O2 2632 -1 1 {} H 0.0 {0.566313951057 0.397955550375 0.493547398473} H2 2633 -1 8 {} O 0.0 {0.545918954034 0.385775128264 0.524527105977} O3 2634 -1 1 {} H 0.0 {0.544544552051 0.389061303366 0.534405847963} H3 2635 -1 8 {} O 0.0 {0.549603234332 0.414353205163 0.516061969309} O4 2636 -1 1 {} H 0.0 {0.539137610722 0.413569919465 0.516373992585} H4 2637 -1 14 {} Si 0.0 {0.671856912259 0.650506183636 0.306583472147} Si1 2638 -1 8 {} O 0.0 {0.677570760593 0.633043492054 0.30755944077} O1 2639 -1 1 {} H 0.0 {0.302910763731 0.63225928692 0.314749492165} H1 2640 -1 8 {} O 0.0 {0.302549606399 0.660758575318 0.298498820088} O2 2641 -1 1 {} H 0.0 {0.309636291288 0.66370640554 0.305663283889} H2 2642 -1 8 {} O 0.0 {0.656338398467 0.651339389648 0.678995255766} O3 2643 -1 1 {} H 0.0 {0.64813040926 0.649391824731 0.302974230033} H3 2644 -1 8 {} O 0.0 {0.668696858187 0.65688002223 0.323552996456} O4 2645 -1 1 {} H 0.0 {0.661819512283 0.650604596327 0.328409807162} H4 2646 -1 14 {} Si 0.0 {0.369660756231 0.357886585538 0.487752376354} Si1 2647 -1 8 {} O 0.0 {0.368009701172 0.366778027252 0.503771305583} O1 2648 -1 1 {} H 0.0 {0.371177084455 0.360512652967 0.511578560522} H1 2649 -1 8 {} O 0.0 {0.355510006875 0.36225444704 0.476831522509} O2 2650 -1 1 {} H 0.0 {0.346628508941 0.358433282318 0.480933783323} H2 2651 -1 8 {} O 0.0 {0.385440359364 0.362769623383 0.479633135853} O3 2652 -1 1 {} H 0.0 {0.384069615592 0.363061646344 0.469229827913} H3 2653 -1 8 {} O 0.0 {0.369682442592 0.339741514813 0.490786148653} O4 2654 -1 1 {} H 0.0 {0.37350072247 0.334798030081 0.482349550734} H4 2655 -1 14 {} Si 0.0 {0.327712971724 0.33149806764 0.525459938029} Si1 2656 -1 8 {} O 0.0 {0.336473515643 0.332146211864 0.541648243553} O1 2657 -1 1 {} H 0.0 {0.329444390982 0.332978531469 0.549397042075} H1 2658 -1 8 {} O 0.0 {0.328590324127 0.3479957728 0.517349993728} O2 2659 -1 1 {} H 0.0 {0.324154427204 0.347451522374 0.507850043053} H2 2660 -1 8 {} O 0.0 {0.335709084743 0.701202668366 0.514651062648} O3 2661 -1 1 {} H 0.0 {0.328835139228 0.697945050034 0.507423148501} H3 2662 -1 8 {} O 0.0 {0.310143702546 0.32688899755 0.528133168158} O4 2663 -1 1 {} H 0.0 {0.307302432184 0.702036169226 0.520955204139} H4 2664 -1 14 {} Si 0.0 {0.508666113583 0.415029689422 0.631694057398} Si1 2665 -1 8 {} O 0.0 {0.522058661547 0.421360600003 0.642597220226} O1 2666 -1 1 {} H 0.0 {0.525756789155 0.430368220345 0.638697239159} H1 2667 -1 8 {} O 0.0 {0.514790130613 0.40043179288 0.622315678821} O2 2668 -1 1 {} H 0.0 {0.516308542495 0.403118055718 0.612281119819} H2 2669 -1 8 {} O 0.0 {0.494217474011 0.41010699158 0.641969084337} O3 2670 -1 1 {} H 0.0 {0.486610150306 0.406414671111 0.635749048285} H3 2671 -1 8 {} O 0.0 {0.503601511184 0.428218805238 0.619900129309} O4 2672 -1 1 {} H 0.0 {0.494529161813 0.425529882634 0.615344538914} H4 2673 -1 14 {} Si 0.0 {0.542997489243 0.54772355027 0.348758689617} Si1 2674 -1 8 {} O 0.0 {0.543382686647 0.558900535935 0.363352659777} O1 2675 -1 1 {} H 0.0 {0.5519015212 0.556824550822 0.369104324842} H1 2676 -1 8 {} O 0.0 {0.530144578406 0.534794081572 0.351277250858} O2 2677 -1 1 {} H 0.0 {0.534791769155 0.525536434528 0.352984451246} H2 2678 -1 8 {} O 0.0 {0.539006590639 0.55750266966 0.333714300426} O3 2679 -1 1 {} H 0.0 {0.545493060105 0.565720770668 0.333071614092} H3 2680 -1 8 {} O 0.0 {0.559451028865 0.539721575339 0.346700388254} O4 2681 -1 1 {} H 0.0 {0.559070560493 0.532971010038 0.338664150456} H4 2682 -1 14 {} Si 0.0 {0.46794005527 0.68284991525 0.409485478028} Si1 2683 -1 8 {} O 0.0 {0.450980222241 0.675860605212 0.411144434643} O1 2684 -1 1 {} H 0.0 {0.4439176016 0.683614255223 0.410607291014} H1 2685 -1 8 {} O 0.0 {0.4715303464 0.693636881211 0.423951288413} O2 2686 -1 1 {} H 0.0 {0.469647336315 0.703645913052 0.421385473956} H2 2687 -1 8 {} O 0.0 {0.480188146084 0.669134423499 0.408792961053} O3 2688 -1 1 {} H 0.0 {0.485991214032 0.670083823492 0.400095741969} H3 2689 -1 8 {} O 0.0 {0.469067522859 0.692799749316 0.394073144437} O4 2690 -1 1 {} H 0.0 {0.478861639276 0.696407318914 0.392950742734} H4 2691 -1 14 {} Si 0.0 {0.615729998203 0.634201004975 0.488611636656} Si1 2692 -1 8 {} O 0.0 {0.604821688265 0.639105661776 0.474620358734} O1 2693 -1 1 {} H 0.0 {0.603980411517 0.64956448149 0.474346252014} H1 2694 -1 8 {} O 0.0 {0.605442467536 0.627719214958 0.502430551505} O2 2695 -1 1 {} H 0.0 {0.607516606628 0.617525053602 0.503842989497} H2 2696 -1 8 {} O 0.0 {0.627414665053 0.621150464799 0.482976640745} O3 2697 -1 1 {} H 0.0 {0.625294958107 0.612171935733 0.487977905422} H3 2698 -1 8 {} O 0.0 {0.625244992284 0.648835294873 0.494421310118} O4 2699 -1 1 {} H 0.0 {0.633290920264 0.645622797048 0.500361388404} H4 2700 -1 14 {} Si 0.0 {0.501607649965 0.563696977613 0.59054538313} Si1 2701 -1 8 {} O 0.0 {0.486469840387 0.562202376039 0.600894477892} O1 2702 -1 1 {} H 0.0 {0.482017415586 0.552841287059 0.599229921637} H1 2703 -1 8 {} O 0.0 {0.49704566653 0.562301708382 0.57277689365} O2 2704 -1 1 {} H 0.0 {0.50267333311 0.554639924758 0.568323788842} H2 2705 -1 8 {} O 0.0 {0.50952134795 0.580027296399 0.593577138138} O3 2706 -1 1 {} H 0.0 {0.510937483504 0.584971054511 0.584426967108} H3 2707 -1 8 {} O 0.0 {0.513389468507 0.550258812728 0.594933371936} O4 2708 -1 1 {} H 0.0 {0.521947333222 0.551010373918 0.588894351867} H4 2709 -1 14 {} Si 0.0 {0.3292817533 0.682479168525 0.547314986932} Si1 2710 -1 8 {} O 0.0 {0.330929513867 0.690326414177 0.563870660708} O1 2711 -1 1 {} H 0.0 {0.338057696617 0.685076309174 0.569522087983} H1 2712 -1 8 {} O 0.0 {0.327848684488 0.664244239878 0.549285407133} O2 2713 -1 1 {} H 0.0 {0.336042631448 0.659579220813 0.544660602657} H2 2714 -1 8 {} O 0.0 {0.314259005157 0.68894751969 0.538898369149} O3 2715 -1 1 {} H 0.0 {0.311648419099 0.682527225147 0.531009517386} H3 2716 -1 8 {} O 0.0 {0.344102339534 0.686391791005 0.53720550762} O4 2717 -1 1 {} H 0.0 {0.342144733951 0.69478251285 0.531232575765} H4 2718 -1 14 {} Si 0.0 {0.549892152613 0.3769846214 0.47684613139} Si1 2719 -1 8 {} O 0.0 {0.556863052745 0.39392631302 0.47842282893} O1 2720 -1 1 {} H 0.0 {0.549020204136 0.400872133775 0.479063073851} H1 2721 -1 8 {} O 0.0 {0.531586678343 0.378027133657 0.475289798652} O2 2722 -1 1 {} H 0.0 {0.527568904277 0.368341129238 0.474814137122} H2 2723 -1 8 {} O 0.0 {0.556876987129 0.368860770941 0.461884125993} O3 2724 -1 1 {} H 0.0 {0.555942220193 0.358444937893 0.462810431381} H3 2725 -1 8 {} O 0.0 {0.554238390401 0.367148862474 0.491786032634} O4 2726 -1 1 {} H 0.0 {0.555791768499 0.357133152196 0.489041615542} H4 2727 -1 14 {} Si 0.0 {0.326916131304 0.443067015312 0.658458546322} Si1 2728 -1 8 {} O 0.0 {0.340244633889 0.430477532891 0.660014864365} O1 2729 -1 1 {} H 0.0 {0.337561676389 0.423447025901 0.667335336838} H1 2730 -1 8 {} O 0.0 {0.311032441815 0.434709216666 0.654400776384} O2 2731 -1 1 {} H 0.0 {0.306076859997 0.432131233616 0.663289688953} H2 2732 -1 8 {} O 0.0 {0.32517486848 0.452157746161 0.674358012149} O3 2733 -1 1 {} H 0.0 {0.31519231883 0.455180903656 0.67557360858} H3 2734 -1 8 {} O 0.0 {0.331211320105 0.454925325583 0.645061479767} O4 2735 -1 1 {} H 0.0 {0.323794021736 0.462332128 0.644451024705} H4 2736 -1 14 {} Si 0.0 {0.376179964244 0.418135981709 0.506155107058} Si1 2737 -1 8 {} O 0.0 {0.376820132852 0.436475259997 0.504832083217} O1 2738 -1 1 {} H 0.0 {0.381888633542 0.440396080719 0.51314803037} H1 2739 -1 8 {} O 0.0 {0.37485431051 0.413306410236 0.52386735836} O2 2740 -1 1 {} H 0.0 {0.367652912156 0.405728744268 0.524886395597} H2 2741 -1 8 {} O 0.0 {0.361530024332 0.411822046576 0.496974448569} O3 2742 -1 1 {} H 0.0 {0.36402344367 0.402815995651 0.492188951736} H3 2743 -1 8 {} O 0.0 {0.391529254837 0.410962935344 0.498954044276} O4 2744 -1 1 {} H 0.0 {0.389592534021 0.401201609409 0.495624237506} H4 2745 -1 14 {} Si 0.0 {0.450736421829 0.600797801177 0.446675207665} Si1 2746 -1 8 {} O 0.0 {0.436891870849 0.588683236009 0.446491878408} O1 2747 -1 1 {} H 0.0 {0.430354742245 0.590979605716 0.438618685058} H1 2748 -1 8 {} O 0.0 {0.445510643459 0.615963581989 0.455744451408} O2 2749 -1 1 {} H 0.0 {0.450704961271 0.624248080468 0.451984349529} H2 2750 -1 8 {} O 0.0 {0.465316401842 0.593244255624 0.455072392828} O3 2751 -1 1 {} H 0.0 {0.473558203981 0.5996904149 0.454261767939} H3 2752 -1 8 {} O 0.0 {0.455236933534 0.6052468263 0.429416087674} O4 2753 -1 1 {} H 0.0 {0.459269785368 0.614941951257 0.429262752114} H4 2754 -1 14 {} Si 0.0 {0.474475866153 0.624299812694 0.624007884113} Si1 2755 -1 8 {} O 0.0 {0.48552185569 0.610384581358 0.619259420653} O1 2756 -1 1 {} H 0.0 {0.483643581972 0.607697825486 0.609284474842} H1 2757 -1 8 {} O 0.0 {0.466455219869 0.620537224366 0.640142606756} O2 2758 -1 1 {} H 0.0 {0.457071826928 0.625233268048 0.640555879547} H2 2759 -1 8 {} O 0.0 {0.484386118529 0.639735158464 0.625522752115} O3 2760 -1 1 {} H 0.0 {0.478472821144 0.647274222753 0.629809244683} H3 2761 -1 8 {} O 0.0 {0.461553906233 0.626523622415 0.611090487085} O4 2762 -1 1 {} H 0.0 {0.455865038523 0.635069679871 0.613274606675} H4 2763 -1 14 {} Si 0.0 {0.596914986676 0.587937201303 0.645091988367} Si1 2764 -1 8 {} O 0.0 {0.598650510021 0.598245536451 0.629926330942} O1 2765 -1 1 {} H 0.0 {0.589291748408 0.599172161712 0.625242565785} H1 2766 -1 8 {} O 0.0 {0.582633157548 0.576510223565 0.643151084541} O2 2767 -1 1 {} H 0.0 {0.576763462397 0.579612368788 0.63502187667} H2 2768 -1 8 {} O 0.0 {0.612275377018 0.5781480824 0.647626212273} O3 2769 -1 1 {} H 0.0 {0.616103612809 0.580084174227 0.657197832327} H3 2770 -1 8 {} O 0.0 {0.594104921768 0.598826106243 0.659666833424} O4 2771 -1 1 {} H 0.0 {0.586639757118 0.594642951061 0.665760902569} H4 2772 -1 14 {} Si 0.0 {0.518622310659 0.553578502706 0.319123656606} Si1 2773 -1 8 {} O 0.0 {0.518961659705 0.567820788944 0.307476222851} O1 2774 -1 1 {} H 0.0 {0.509246467757 0.569686417949 0.303965768265} H1 2775 -1 8 {} O 0.0 {0.507952590614 0.540281176609 0.312257962262} O2 2776 -1 1 {} H 0.0 {0.498359833039 0.541018707987 0.316421053141} H2 2777 -1 8 {} O 0.0 {0.535671822947 0.547085745991 0.321380016337} O3 2778 -1 1 {} H 0.0 {0.535252225673 0.537657424019 0.325941357044} H3 2779 -1 8 {} O 0.0 {0.511892247533 0.559110389445 0.335347773348} O4 2780 -1 1 {} H 0.0 {0.518298063805 0.555975930933 0.343045350016} H4 2781 -1 14 {} Si 0.0 {0.554905958431 0.681140300244 0.32484118643} Si1 2782 -1 8 {} O 0.0 {0.549493969765 0.690845478716 0.33951991115} O1 2783 -1 1 {} H 0.0 {0.543370773364 0.68486313288 0.345591648309} H1 2784 -1 8 {} O 0.0 {0.542234440049 0.682512547123 0.311590457611} O2 2785 -1 1 {} H 0.0 {0.546825692621 0.681208674784 0.302241890394} H2 2786 -1 8 {} O 0.0 {0.570933726294 0.687731954166 0.318687162295} O3 2787 -1 1 {} H 0.0 {0.570851935729 0.687833012676 0.30818981583} H3 2788 -1 8 {} O 0.0 {0.556961184042 0.663468113975 0.329551647168} O4 2789 -1 1 {} H 0.0 {0.562821050878 0.658594855884 0.322321447941} H4 2790 -1 14 {} Si 0.0 {0.506605090343 0.361409370834 0.6239919697} Si1 2791 -1 8 {} O 0.0 {0.510399524986 0.34348181733 0.622431568212} O1 2792 -1 1 {} H 0.0 {0.506684862146 0.338391746473 0.63081929336} H1 2793 -1 8 {} O 0.0 {0.522201504289 0.370726716491 0.627012259083} O2 2794 -1 1 {} H 0.0 {0.51991407049 0.380261969214 0.630763318005} H2 2795 -1 8 {} O 0.0 {0.498748823285 0.367348029396 0.608470243109} O3 2796 -1 1 {} H 0.0 {0.489643375942 0.372054628644 0.610751188343} H3 2797 -1 8 {} O 0.0 {0.495035928767 0.364047508674 0.638037744125} O4 2798 -1 1 {} H 0.0 {0.48550942885 0.366438151037 0.634299080132} H4 2799 -1 14 {} Si 0.0 {0.562972788567 0.596543195041 0.593612992493} Si1 2800 -1 8 {} O 0.0 {0.545878026592 0.602985154768 0.591462981585} O1 2801 -1 1 {} H 0.0 {0.546286276347 0.612782006526 0.587715150142} H1 2802 -1 8 {} O 0.0 {0.567920876562 0.598054796637 0.61123803512} O2 2803 -1 1 {} H 0.0 {0.574037400213 0.589948761469 0.613858157804} H2 2804 -1 8 {} O 0.0 {0.563546604722 0.578874666062 0.588598462924} O3 2805 -1 1 {} H 0.0 {0.567702550795 0.578126146618 0.579002003419} H3 2806 -1 8 {} O 0.0 {0.574555268376 0.606267188302 0.583138789801} O4 2807 -1 1 {} H 0.0 {0.58363381695 0.607549864678 0.588251094547} H4 2808 -1 14 {} Si 0.0 {0.357948644049 0.350121699122 0.657381765214} Si1 2809 -1 8 {} O 0.0 {0.342863849411 0.341267619576 0.66308881417} O1 2810 -1 1 {} H 0.0 {0.334452687266 0.347344547109 0.661527680417} H1 2811 -1 8 {} O 0.0 {0.354857303551 0.36827035455 0.657531175314} O2 2812 -1 1 {} H 0.0 {0.359781370018 0.372719126235 0.649393622262} H2 2813 -1 8 {} O 0.0 {0.371975863192 0.346204950049 0.668615753383} O3 2814 -1 1 {} H 0.0 {0.374437814656 0.336042196716 0.667698216314} H3 2815 -1 8 {} O 0.0 {0.362103013859 0.344724463097 0.640297729295} O4 2816 -1 1 {} H 0.0 {0.363857860226 0.334368720983 0.64025066364} H4 2817 -1 14 {} Si 0.0 {0.362947020154 0.435797979932 0.453781674792} Si1 2818 -1 8 {} O 0.0 {0.357562128747 0.436607780786 0.47135719123} O1 2819 -1 1 {} H 0.0 {0.362203469353 0.428906224894 0.476783010459} H1 2820 -1 8 {} O 0.0 {0.358227554055 0.419497793244 0.446672826864} O2 2821 -1 1 {} H 0.0 {0.350209338815 0.420787207138 0.440016264153} H2 2822 -1 8 {} O 0.0 {0.354785617619 0.449243847566 0.444229580673} O3 2823 -1 1 {} H 0.0 {0.35852855483 0.458531572261 0.447383081607} H3 2824 -1 8 {} O 0.0 {0.381211699312 0.437841501735 0.452869464203} O4 2825 -1 1 {} H 0.0 {0.383942498686 0.440486306227 0.443081505414} H4 2826 -1 14 {} Si 0.0 {0.598815959938 0.392603231217 0.330495198112} Si1 2827 -1 8 {} O 0.0 {0.609597922416 0.380158037983 0.322286164555} O1 2828 -1 1 {} H 0.0 {0.611075312904 0.38289359132 0.312254510645} H1 2829 -1 8 {} O 0.0 {0.584096695575 0.384222757748 0.337668631526} O2 2830 -1 1 {} H 0.0 {0.575436933283 0.387604840549 0.332799839924} H2 2831 -1 8 {} O 0.0 {0.608211366428 0.4009917081 0.34390051696} O3 2832 -1 1 {} H 0.0 {0.606234473518 0.411293698918 0.343626024895} H3 2833 -1 8 {} O 0.0 {0.593344672497 0.405061593997 0.318112123341} O4 2834 -1 1 {} H 0.0 {0.596374710663 0.414612561147 0.321213797793} H4 2835 -1 14 {} Si 0.0 {0.336718999097 0.506703607224 0.442286065622} Si1 2836 -1 8 {} O 0.0 {0.339027386869 0.488508417323 0.440700541286} O1 2837 -1 1 {} H 0.0 {0.348590164237 0.485889076317 0.444154149272} H1 2838 -1 8 {} O 0.0 {0.352501611511 0.514447790995 0.447703373443} O2 2839 -1 1 {} H 0.0 {0.35244429033 0.524628973173 0.445143936019} H2 2840 -1 8 {} O 0.0 {0.331740255634 0.513700078939 0.426016428665} O3 2841 -1 1 {} H 0.0 {0.323956009206 0.5079362747 0.421977818646} H3 2842 -1 8 {} O 0.0 {0.323599017274 0.510166587499 0.45471548115} O4 2843 -1 1 {} H 0.0 {0.316088157596 0.502871042135 0.453981452183} H4 2844 -1 14 {} Si 0.0 {0.622972353842 0.428465072948 0.585315965921} Si1 2845 -1 8 {} O 0.0 {0.61274310265 0.443660709508 0.587133909395} O1 2846 -1 1 {} H 0.0 {0.604393072408 0.44155343168 0.593131507207} H1 2847 -1 8 {} O 0.0 {0.612029814607 0.413693141619 0.584871774381} O2 2848 -1 1 {} H 0.0 {0.614400397659 0.407848885217 0.57647324632} H2 2849 -1 8 {} O 0.0 {0.632619941208 0.429392863505 0.569686134636} O3 2850 -1 1 {} H 0.0 {0.642140002512 0.425236450784 0.571218206736} H3 2851 -1 8 {} O 0.0 {0.634519603518 0.427104116312 0.599565925647} O4 2852 -1 1 {} H 0.0 {0.640096001973 0.418252127125 0.59869761028} H4 2853 -1 14 {} Si 0.0 {0.363351090845 0.619676456083 0.510986598533} Si1 2854 -1 8 {} O 0.0 {0.346826592328 0.627389450281 0.50854556891} O1 2855 -1 1 {} H 0.0 {0.344750719787 0.628001971986 0.498275206304} H1 2856 -1 8 {} O 0.0 {0.376483890372 0.632068085875 0.507455100622} O2 2857 -1 1 {} H 0.0 {0.384511892954 0.627353815375 0.502605055964} H2 2858 -1 8 {} O 0.0 {0.36491458672 0.613883957593 0.528377625219} O3 2859 -1 1 {} H 0.0 {0.374467642993 0.609783271412 0.52984161271} H3 2860 -1 8 {} O 0.0 {0.365177426185 0.605366430466 0.499565157448} O4 2861 -1 1 {} H 0.0 {0.375213445378 0.604516690469 0.496613431932} H4 2862 -1 14 {} Si 0.0 {0.622283178598 0.351887616264 0.376245715233} Si1 2863 -1 8 {} O 0.0 {0.632494459876 0.349865481556 0.391416457719} O1 2864 -1 1 {} H 0.0 {0.626654078842 0.352037118322 0.399861886223} H1 2865 -1 8 {} O 0.0 {0.605073642225 0.356410103487 0.380999438848} O2 2866 -1 1 {} H 0.0 {0.603016804167 0.366192084564 0.377792617789} H2 2867 -1 8 {} O 0.0 {0.629481965084 0.365181307829 0.365730869807} O3 2868 -1 1 {} H 0.0 {0.621871538232 0.371732924827 0.362680411745} H3 2869 -1 8 {} O 0.0 {0.622098107196 0.336070653572 0.36684690894} O4 2870 -1 1 {} H 0.0 {0.624748586148 0.33791888088 0.356859458038} H4 2871 -1 14 {} Si 0.0 {0.489563970794 0.329531481316 0.676047702962} Si1 2872 -1 8 {} O 0.0 {0.475608566155 0.326507632317 0.664429338142} O1 2873 -1 1 {} H 0.0 {0.478414935017 0.701456433369 0.657437850975} H1 2874 -1 8 {} O 0.0 {0.494027183688 0.347363851575 0.67581681425} O2 2875 -1 1 {} H 0.0 {0.488282207149 0.352479738727 0.300681453702} H2 2876 -1 8 {} O 0.0 {0.484528760825 0.707026320041 0.310804206506} O3 2877 -1 1 {} H 0.0 {0.491964887941 0.327743020647 0.317589870984} H3 2878 -1 8 {} O 0.0 {0.504103808295 0.701773951104 0.670902397396} O4 2879 -1 1 {} H 0.0 {0.510872729294 0.325604197477 0.665683780928} H4 2880 -1 14 {} Si 0.0 {0.642610859338 0.536482443113 0.508105111547} Si1 2881 -1 8 {} O 0.0 {0.644409827469 0.554094638582 0.503084326579} O1 2882 -1 1 {} H 0.0 {0.63590084354 0.557069093696 0.497691613693} H1 2883 -1 8 {} O 0.0 {0.650386336163 0.525654897296 0.495416503553} O2 2884 -1 1 {} H 0.0 {0.644155772179 0.517405291567 0.493582057777} H2 2885 -1 8 {} O 0.0 {0.650910061412 0.533852932643 0.524317704678} O3 2886 -1 1 {} H 0.0 {0.646059161702 0.526121299791 0.529504241784} H3 2887 -1 8 {} O 0.0 {0.62474423227 0.532335605524 0.509591772805} O4 2888 -1 1 {} H 0.0 {0.621989941216 0.532328355631 0.51972050154} H4 2889 -1 14 {} Si 0.0 {0.486004509264 0.500662193889 0.651739965624} Si1 2890 -1 8 {} O 0.0 {0.492912414172 0.48475364306 0.657876085525} O1 2891 -1 1 {} H 0.0 {0.496961760938 0.486175000937 0.667458004182} H1 2892 -1 8 {} O 0.0 {0.499279462582 0.513412019296 0.651429457234} O2 2893 -1 1 {} H 0.0 {0.496266193281 0.521442511284 0.645373964963} H2 2894 -1 8 {} O 0.0 {0.479351823793 0.49830460941 0.634741100501} O3 2895 -1 1 {} H 0.0 {0.481132087691 0.50695563703 0.629065120867} H3 2896 -1 8 {} O 0.0 {0.472473697024 0.506169900251 0.662920751944} O4 2897 -1 1 {} H 0.0 {0.46443920561 0.499448237844 0.662249185173} H4 2898 -1 14 {} Si 0.0 {0.494239117947 0.614441124708 0.539410178495} Si1 2899 -1 8 {} O 0.0 {0.478901020612 0.606573667414 0.545852759982} O1 2900 -1 1 {} H 0.0 {0.476720771565 0.598012368365 0.540177939681} H1 2901 -1 8 {} O 0.0 {0.491201807995 0.620817665752 0.522429826261} O2 2902 -1 1 {} H 0.0 {0.500379603396 0.622032083579 0.517473808205} H2 2903 -1 8 {} O 0.0 {0.499079279173 0.628373146533 0.550411244339} O3 2904 -1 1 {} H 0.0 {0.495727228245 0.626441131786 0.560170444572} H3 2905 -1 8 {} O 0.0 {0.507784418087 0.602005629839 0.538925738598} O4 2906 -1 1 {} H 0.0 {0.509962244313 0.599613979531 0.528933012887} H4 2907 -1 14 {} Si 0.0 {0.428385587495 0.639789172769 0.321682081968} Si1 2908 -1 8 {} O 0.0 {0.425968301181 0.657995419878 0.32283313172} O1 2909 -1 1 {} H 0.0 {0.427803908381 0.662356892747 0.313457858312} H1 2910 -1 8 {} O 0.0 {0.44363163159 0.636258983635 0.312064992284} O2 2911 -1 1 {} H 0.0 {0.441033015204 0.63163819596 0.303010785339} H2 2912 -1 8 {} O 0.0 {0.430049902346 0.63270824744 0.33858493918} O3 2913 -1 1 {} H 0.0 {0.422747705109 0.625305797004 0.340012032688} H3 2914 -1 8 {} O 0.0 {0.413918726654 0.632178592025 0.313208738167} O4 2915 -1 1 {} H 0.0 {0.409396687273 0.625186602984 0.319611828339} H4 2916 -1 14 {} Si 0.0 {0.630006280476 0.5475618835 0.601238308117} Si1 2917 -1 8 {} O 0.0 {0.614833556214 0.539024890504 0.60720265497} O1 2918 -1 1 {} H 0.0 {0.612352113436 0.542592873188 0.616762904116} H1 2919 -1 8 {} O 0.0 {0.64397739883 0.535599193937 0.600745687718} O2 2920 -1 1 {} H 0.0 {0.651804166583 0.539124310871 0.60678798741} H2 2921 -1 8 {} O 0.0 {0.627058149032 0.554235404155 0.584346083647} O3 2922 -1 1 {} H 0.0 {0.634971846663 0.560598896121 0.581682172425} H3 2923 -1 8 {} O 0.0 {0.634156693622 0.561382073839 0.612661812267} O4 2924 -1 1 {} H 0.0 {0.63640906191 0.569976526425 0.607067517992} H4 2925 -1 14 {} Si 0.0 {0.386300852783 0.56537724952 0.396359534402} Si1 2926 -1 8 {} O 0.0 {0.404284582225 0.564542817318 0.392553540528} O1 2927 -1 1 {} H 0.0 {0.407971197611 0.555081423864 0.395196819315} H1 2928 -1 8 {} O 0.0 {0.383273156399 0.558527986064 0.413158645752} O2 2929 -1 1 {} H 0.0 {0.37793614761 0.549526677393 0.412342008158} H2 2930 -1 8 {} O 0.0 {0.380718835608 0.582913305451 0.395811214694} O3 2931 -1 1 {} H 0.0 {0.373352460331 0.584006164072 0.388422012076} H3 2932 -1 8 {} O 0.0 {0.376947507147 0.555514061222 0.383950072206} O4 2933 -1 1 {} H 0.0 {0.371703580525 0.561990755787 0.377572402158} H4 2934 -1 14 {} Si 0.0 {0.672425552469 0.654512410815 0.371284248987} Si1 2935 -1 8 {} O 0.0 {0.656057423761 0.662561557628 0.368982791668} O1 2936 -1 1 {} H 0.0 {0.656518068013 0.672456261749 0.372449017278} H1 2937 -1 8 {} O 0.0 {0.670474601241 0.639567003106 0.381844148308} O2 2938 -1 1 {} H 0.0 {0.677330651179 0.639977192488 0.389778585609} H2 2939 -1 8 {} O 0.0 {0.67919631573 0.64960053912 0.354901155553} O3 2940 -1 1 {} H 0.0 {0.306902551019 0.652770921026 0.354160386385} H3 2941 -1 8 {} O 0.0 {0.301696670203 0.666337784877 0.379403562844} O4 2942 -1 1 {} H 0.0 {0.306515834786 0.661569747897 0.387417487351} H4 2943 -1 14 {} Si 0.0 {0.672592048657 0.340431307389 0.304773044388} Si1 2944 -1 8 {} O 0.0 {0.308495478235 0.338055541294 0.306370889026} O1 2945 -1 1 {} H 0.0 {0.313480799424 0.345809583754 0.301342592667} H1 2946 -1 8 {} O 0.0 {0.667861471701 0.339724897912 0.669273344596} O2 2947 -1 1 {} H 0.0 {0.657424336222 0.340425877593 0.668411967807} H2 2948 -1 8 {} O 0.0 {0.66383378259 0.32713567604 0.314000236224} O3 2949 -1 1 {} H 0.0 {0.657121928574 0.331463878813 0.320821291484} H3 2950 -1 8 {} O 0.0 {0.667913292168 0.356811246812 0.311721026018} O4 2951 -1 1 {} H 0.0 {0.666322480528 0.355887565036 0.322057812823} H4 2952 -1 14 {} Si 0.0 {0.340530081432 0.581159099513 0.476885150646} Si1 2953 -1 8 {} O 0.0 {0.331943221262 0.596569307775 0.471662859445} O1 2954 -1 1 {} H 0.0 {0.334933563973 0.604499165712 0.477859836734} H1 2955 -1 8 {} O 0.0 {0.328055963393 0.568251202527 0.480903391464} O2 2956 -1 1 {} H 0.0 {0.331964567943 0.561772765224 0.488185235899} H2 2957 -1 8 {} O 0.0 {0.351323875559 0.575220479323 0.463217099806} O3 2958 -1 1 {} H 0.0 {0.352204695842 0.564770554814 0.463755485174} H3 2959 -1 8 {} O 0.0 {0.350799511297 0.584591893786 0.491755320236} O4 2960 -1 1 {} H 0.0 {0.360922326552 0.583045937339 0.489434001216} H4 2961 -1 14 {} Si 0.0 {0.49429593646 0.397593874879 0.545497234642} Si1 2962 -1 8 {} O 0.0 {0.505458062547 0.404403167555 0.532564624542} O1 2963 -1 1 {} H 0.0 {0.502907077827 0.400287007723 0.523247975272} H1 2964 -1 8 {} O 0.0 {0.492906758404 0.409605450333 0.559369473003} O2 2965 -1 1 {} H 0.0 {0.487882020735 0.405087067146 0.567408636359} H2 2966 -1 8 {} O 0.0 {0.4776391942 0.394644853488 0.538251447381} O3 2967 -1 1 {} H 0.0 {0.471630727736 0.389628496273 0.545239833556} H3 2968 -1 8 {} O 0.0 {0.501182224204 0.381726671416 0.55178452708} O4 2969 -1 1 {} H 0.0 {0.493840090723 0.374252297117 0.551180004604} H4 2970 -1 14 {} Si 0.0 {0.639316741085 0.544942610118 0.426718181532} Si1 2971 -1 8 {} O 0.0 {0.652007739779 0.557673803686 0.430619236015} O1 2972 -1 1 {} H 0.0 {0.654549929272 0.562860018129 0.421852581426} H1 2973 -1 8 {} O 0.0 {0.647619314375 0.528948649673 0.422954218331} O2 2974 -1 1 {} H 0.0 {0.653316496806 0.525941561675 0.431255331137} H2 2975 -1 8 {} O 0.0 {0.628138755786 0.542769522929 0.441146002746} O3 2976 -1 1 {} H 0.0 {0.622882907061 0.533736762788 0.440147422244} H3 2977 -1 8 {} O 0.0 {0.629493422393 0.55036957726 0.412136158829} O4 2978 -1 1 {} H 0.0 {0.620140868192 0.553874860405 0.415327954382} H4 2979 -1 14 {} Si 0.0 {0.416967574339 0.705863086524 0.535937114158} Si1 2980 -1 8 {} O 0.0 {0.402313573986 0.700357466972 0.526282436408} O1 2981 -1 1 {} H 0.0 {0.399614664248 0.690665196838 0.529269623809} H1 2982 -1 8 {} O 0.0 {0.432188856332 0.70332978989 0.525933310401} O2 2983 -1 1 {} H 0.0 {0.439965491022 0.326864236489 0.529910316885} H2 2984 -1 8 {} O 0.0 {0.415240817037 0.341441190877 0.540054297623} O3 2985 -1 1 {} H 0.0 {0.423547190277 0.344547652327 0.545665411923} H3 2986 -1 8 {} O 0.0 {0.418128513982 0.696051471143 0.551468889725} O4 2987 -1 1 {} H 0.0 {0.413457383584 0.70129920407 0.55926939089} H4 2988 -1 14 {} Si 0.0 {0.509522894321 0.405725260494 0.338939260314} Si1 2989 -1 8 {} O 0.0 {0.504562781438 0.391983056968 0.327760686057} O1 2990 -1 1 {} H 0.0 {0.510256010253 0.392420110852 0.318962056468} H1 2991 -1 8 {} O 0.0 {0.515287234877 0.398762192676 0.355035452453} O2 2992 -1 1 {} H 0.0 {0.50947888844 0.402683785271 0.362857707873} H2 2993 -1 8 {} O 0.0 {0.523169434894 0.415319860491 0.33121700619} O3 2994 -1 1 {} H 0.0 {0.522061755587 0.425485805133 0.333614366717} H3 2995 -1 8 {} O 0.0 {0.495094637416 0.416835109798 0.341743109478} O4 2996 -1 1 {} H 0.0 {0.494884810409 0.42423135107 0.334316284309} H4 2997 -1 14 {} Si 0.0 {0.485339463414 0.602711800512 0.416686386371} Si1 2998 -1 8 {} O 0.0 {0.473481328585 0.593920213739 0.405686019931} O1 2999 -1 1 {} H 0.0 {0.468085554495 0.586869987957 0.411295155133} H1 3000 -1 8 {} O 0.0 {0.491531469891 0.617820367041 0.408229602689} O2 3001 -1 1 {} H 0.0 {0.502023409706 0.617980864484 0.408635618131} H2 3002 -1 8 {} O 0.0 {0.476871239259 0.607481347031 0.432305814855} O3 3003 -1 1 {} H 0.0 {0.483554317224 0.606473794118 0.440341348948} H3 3004 -1 8 {} O 0.0 {0.499505608109 0.591638070126 0.420529741278} O4 3005 -1 1 {} H 0.0 {0.508304409723 0.597333560197 0.421151461519} H4 3006 -1 14 {} Si 0.0 {0.426529229758 0.32800530856 0.641057638369} Si1 3007 -1 8 {} O 0.0 {0.418556814275 0.338713106699 0.628401055727} O1 3008 -1 1 {} H 0.0 {0.415623727787 0.347755690895 0.632833200441} H1 3009 -1 8 {} O 0.0 {0.420833975608 0.332991738509 0.657832413658} O2 3010 -1 1 {} H 0.0 {0.425253836818 0.326729969774 0.665020664735} H2 3011 -1 8 {} O 0.0 {0.421895757083 0.692739928897 0.638010149794} O3 3012 -1 1 {} H 0.0 {0.42405141179 0.690251474074 0.628059244044} H3 3013 -1 8 {} O 0.0 {0.444821470988 0.329847715284 0.639989742473} O4 3014 -1 1 {} H 0.0 {0.44903370166 0.703195005909 0.636402062944} H4 3015 -1 14 {} Si 0.0 {0.498925209732 0.575955939318 0.662772567813} Si1 3016 -1 8 {} O 0.0 {0.496467933934 0.559989732361 0.671582263514} O1 3017 -1 1 {} H 0.0 {0.492589847936 0.561850783052 0.298886293282} H1 3018 -1 8 {} O 0.0 {0.510484318254 0.586549947833 0.672391107455} O2 3019 -1 1 {} H 0.0 {0.515586347159 0.592974419011 0.665846421908} H2 3020 -1 8 {} O 0.0 {0.505989504832 0.572721137757 0.646095897925} O3 3021 -1 1 {} H 0.0 {0.498181689221 0.571397611103 0.639200019479} H3 3022 -1 8 {} O 0.0 {0.482763763002 0.584566441271 0.661009434036} O4 3023 -1 1 {} H 0.0 {0.482284420147 0.589185728448 0.651587577036} H4 3024 -1 14 {} Si 0.0 {0.459896037632 0.357127324679 0.359132811796} Si1 3025 -1 8 {} O 0.0 {0.448077096151 0.370234473503 0.364330031178} O1 3026 -1 1 {} H 0.0 {0.443930541093 0.374768330297 0.355817132559} H1 3027 -1 8 {} O 0.0 {0.454337051806 0.349800305238 0.343217298391} O2 3028 -1 1 {} H 0.0 {0.454567341567 0.339325944924 0.343942477989} H2 3029 -1 8 {} O 0.0 {0.476645514526 0.364465660792 0.357000748626} O3 3030 -1 1 {} H 0.0 {0.480075695487 0.362561601425 0.347272078209} H3 3031 -1 8 {} O 0.0 {0.460534112031 0.343998282798 0.37201454309} O4 3032 -1 1 {} H 0.0 {0.466858556899 0.336260401097 0.368800446061} H4 3033 -1 14 {} Si 0.0 {0.67251335544 0.632040366915 0.600213831153} Si1 3034 -1 8 {} O 0.0 {0.662959483186 0.619279439483 0.609337013475} O1 3035 -1 1 {} H 0.0 {0.667889850944 0.617010288161 0.618316118951} H1 3036 -1 8 {} O 0.0 {0.305904673285 0.624565347271 0.593863392898} O2 3037 -1 1 {} H 0.0 {0.311107549342 0.631624053334 0.588051489573} H2 3038 -1 8 {} O 0.0 {0.662355591499 0.63834259497 0.586064127658} O3 3039 -1 1 {} H 0.0 {0.668660428519 0.641301956072 0.578156761845} H3 3040 -1 8 {} O 0.0 {0.676563156432 0.645959167455 0.611630739521} O4 3041 -1 1 {} H 0.0 {0.301779680839 0.651995484085 0.607389076372} H4 3042 -1 14 {} Si 0.0 {0.551063212565 0.436125425943 0.613338573379} Si1 3043 -1 8 {} O 0.0 {0.564491485434 0.423567053591 0.612868550986} O1 3044 -1 1 {} H 0.0 {0.561189001848 0.415135308563 0.607554730506} H1 3045 -1 8 {} O 0.0 {0.540977606393 0.433750177373 0.628533140204} O2 3046 -1 1 {} H 0.0 {0.533536919007 0.441143248428 0.628964562099} H2 3047 -1 8 {} O 0.0 {0.558425811348 0.452990269797 0.613432600935} O3 3048 -1 1 {} H 0.0 {0.558132728341 0.45686819656 0.623183455573} H3 3049 -1 8 {} O 0.0 {0.540352837057 0.434180974744 0.598510876441} O4 3050 -1 1 {} H 0.0 {0.544958196723 0.427623196242 0.591721117523} H4 3051 -1 14 {} Si 0.0 {0.424786792602 0.523731078237 0.537001198302} Si1 3052 -1 8 {} O 0.0 {0.420221335913 0.539016707398 0.527863364613} O1 3053 -1 1 {} H 0.0 {0.416843141472 0.536446460782 0.518258524494} H1 3054 -1 8 {} O 0.0 {0.429829989194 0.510731364553 0.524982493518} O2 3055 -1 1 {} H 0.0 {0.428966102495 0.501292804417 0.52947828961} H2 3056 -1 8 {} O 0.0 {0.438809372674 0.527334962518 0.548381154686} O3 3057 -1 1 {} H 0.0 {0.435548374796 0.526500947768 0.558325717415} H3 3058 -1 8 {} O 0.0 {0.410284438772 0.517868219568 0.546727606968} O4 3059 -1 1 {} H 0.0 {0.413024202862 0.509457548113 0.552373426945} H4 3060 -1 14 {} Si 0.0 {0.543310377887 0.574415894955 0.314505764117} Si1 3061 -1 8 {} O 0.0 {0.558526703161 0.584699070455 0.314278581714} O1 3062 -1 1 {} H 0.0 {0.557885653794 0.591681960938 0.306479654813} H1 3063 -1 8 {} O 0.0 {0.534272105965 0.576492643483 0.298620162316} O2 3064 -1 1 {} H 0.0 {0.529549607328 0.585872456647 0.29850382426} H2 3065 -1 8 {} O 0.0 {0.547952896809 0.55675718279 0.316684686409} O3 3066 -1 1 {} H 0.0 {0.547351367675 0.551817036248 0.307440677596} H3 3067 -1 8 {} O 0.0 {0.532514548512 0.579749765015 0.328423355854} O4 3068 -1 1 {} H 0.0 {0.526197458527 0.587491699336 0.325168572401} H4 3069 -1 14 {} Si 0.0 {0.570525355151 0.372458967633 0.303936407687} Si1 3070 -1 8 {} O 0.0 {0.558795579375 0.386137887646 0.300239772912} O1 3071 -1 1 {} H 0.0 {0.559087357887 0.393177408718 0.308023646958} H1 3072 -1 8 {} O 0.0 {0.584176869174 0.378796143502 0.314517143887} O2 3073 -1 1 {} H 0.0 {0.593390879523 0.375876784755 0.310436468121} H2 3074 -1 8 {} O 0.0 {0.561649816631 0.359004799118 0.31278775001} O3 3075 -1 1 {} H 0.0 {0.561913702405 0.350256031004 0.307001213519} H3 3076 -1 8 {} O 0.0 {0.577469890126 0.365904212703 0.670473796412} O4 3077 -1 1 {} H 0.0 {0.572758598421 0.370607171886 0.662355455596} H4 3078 -1 14 {} Si 0.0 {0.304700420349 0.329666979206 0.617196108727} Si1 3079 -1 8 {} O 0.0 {0.303394369496 0.347568385194 0.613207873252} O1 3080 -1 1 {} H 0.0 {0.298474428215 0.352527616348 0.621029140147} H1 3081 -1 8 {} O 0.0 {0.674051092411 0.702630662563 0.607962576922} O2 3082 -1 1 {} H 0.0 {0.671790194091 0.69376648763 0.613103632562} H2 3083 -1 8 {} O 0.0 {0.321321533497 0.705826620656 0.612321460194} O3 3084 -1 1 {} H 0.0 {0.32368788366 0.32715767404 0.602744378288} H3 3085 -1 8 {} O 0.0 {0.302317378778 0.327201636827 0.635278555184} O4 3086 -1 1 {} H 0.0 {0.310918082497 0.330380254973 0.640397522653} H4 3087 -1 14 {} Si 0.0 {0.672438579854 0.598220852539 0.496599779778} Si1 3088 -1 8 {} O 0.0 {0.663188483848 0.600943411307 0.512270970604} O1 3089 -1 1 {} H 0.0 {0.65897497786 0.610561361616 0.512207090749} H1 3090 -1 8 {} O 0.0 {0.676858052701 0.614474856533 0.489197043246} O2 3091 -1 1 {} H 0.0 {0.300126143716 0.612917861043 0.480418169392} H2 3092 -1 8 {} O 0.0 {0.305510126064 0.588687999526 0.500114141647} O3 3093 -1 1 {} H 0.0 {0.30952400245 0.585095681898 0.49110418842} H3 3094 -1 8 {} O 0.0 {0.661923539512 0.588777923981 0.484818801118} O4 3095 -1 1 {} H 0.0 {0.662494637741 0.578538096639 0.487069780298} H4 3096 -1 14 {} Si 0.0 {0.644875525716 0.604467277476 0.560580954143} Si1 3097 -1 8 {} O 0.0 {0.631200217749 0.595766001557 0.551870527272} O1 3098 -1 1 {} H 0.0 {0.623057067407 0.594650319057 0.558407605836} H1 3099 -1 8 {} O 0.0 {0.642303305384 0.603257354114 0.578762857544} O2 3100 -1 1 {} H 0.0 {0.648038162432 0.595327927219 0.582575578209} H2 3101 -1 8 {} O 0.0 {0.660943463529 0.596678412945 0.556138595632} O3 3102 -1 1 {} H 0.0 {0.662766092007 0.598042937329 0.545891446373} H3 3103 -1 8 {} O 0.0 {0.645058627647 0.622168078042 0.555556264056} O4 3104 -1 1 {} H 0.0 {0.653643576113 0.626806307329 0.559436246268} H4 3105 -1 14 {} Si 0.0 {0.617803913335 0.67278052741 0.670412277119} Si1 3106 -1 8 {} O 0.0 {0.632422893588 0.679489507625 0.661469970615} O1 3107 -1 1 {} H 0.0 {0.636478695556 0.687489130025 0.666921708576} H1 3108 -1 8 {} O 0.0 {0.613930208539 0.655951618014 0.664056419847} O2 3109 -1 1 {} H 0.0 {0.607929627911 0.656759425809 0.655477732862} H2 3110 -1 8 {} O 0.0 {0.621510293455 0.671847647747 0.30613529444} O3 3111 -1 1 {} H 0.0 {0.612823441705 0.669094573317 0.311341612603} H3 3112 -1 8 {} O 0.0 {0.603344704393 0.683830369673 0.667719748023} O4 3113 -1 1 {} H 0.0 {0.594809678775 0.678009106657 0.665838723575} H4 3114 -1 14 {} Si 0.0 {0.664833788317 0.547271686644 0.329413451671} Si1 3115 -1 8 {} O 0.0 {0.662366015987 0.562737285942 0.339061070677} O1 3116 -1 1 {} H 0.0 {0.659853792519 0.570555141858 0.332534504726} H1 3117 -1 8 {} O 0.0 {0.679813678577 0.54893828736 0.318847318669} O2 3118 -1 1 {} H 0.0 {0.301691214358 0.539444074371 0.31714734909} H2 3119 -1 8 {} O 0.0 {0.667006634832 0.533166468694 0.340982323736} O3 3120 -1 1 {} H 0.0 {0.659123814299 0.526356300678 0.339703730372} H3 3121 -1 8 {} O 0.0 {0.650141505034 0.544228148663 0.318787183133} O4 3122 -1 1 {} H 0.0 {0.648500449388 0.533880835978 0.317997251318} H4 3123 -1 14 {} Si 0.0 {0.378553513515 0.660156391309 0.66282718184} Si1 3124 -1 8 {} O 0.0 {0.360533661876 0.656713455334 0.661492146655} O1 3125 -1 1 {} H 0.0 {0.355165590405 0.664352739765 0.666284011532} H1 3126 -1 8 {} O 0.0 {0.381088417091 0.677841006322 0.667302594244} O2 3127 -1 1 {} H 0.0 {0.390218184058 0.681175499381 0.663345667244} H2 3128 -1 8 {} O 0.0 {0.385886812977 0.649406174528 0.675848758322} O3 3129 -1 1 {} H 0.0 {0.396262534495 0.650944135737 0.67621412848} H3 3130 -1 8 {} O 0.0 {0.386671644484 0.656658476068 0.646675643509} O4 3131 -1 1 {} H 0.0 {0.39636075541 0.66069563208 0.646688321017} H4 3132 -1 14 {} Si 0.0 {0.39199043644 0.594940615155 0.474894631442} Si1 3133 -1 8 {} O 0.0 {0.391002734725 0.612113569535 0.48141828427} O1 3134 -1 1 {} H 0.0 {0.393224299161 0.612075658609 0.49168039927} H1 3135 -1 8 {} O 0.0 {0.391225579154 0.583018291629 0.488897306291} O2 3136 -1 1 {} H 0.0 {0.399055290831 0.576078409146 0.488005648868} H2 3137 -1 8 {} O 0.0 {0.377890168091 0.591915138095 0.463463844605} O3 3138 -1 1 {} H 0.0 {0.381362309623 0.586977732597 0.454877638047} H3 3139 -1 8 {} O 0.0 {0.40783853607 0.592722395558 0.465806567862} O4 3140 -1 1 {} H 0.0 {0.409704827553 0.582469598381 0.46449854989} H4 3141 -1 14 {} Si 0.0 {0.417536675355 0.653762036769 0.512653585578} Si1 3142 -1 8 {} O 0.0 {0.407538891801 0.656846433314 0.527787592227} O1 3143 -1 1 {} H 0.0 {0.407173593756 0.648089665358 0.533567387614} H1 3144 -1 8 {} O 0.0 {0.413524739042 0.637106198849 0.505943991788} O2 3145 -1 1 {} H 0.0 {0.422372380132 0.632367954525 0.502857034061} H2 3146 -1 8 {} O 0.0 {0.413651147437 0.666560037812 0.50002096601} O3 3147 -1 1 {} H 0.0 {0.421603595272 0.673388538695 0.499414716142} H3 3148 -1 8 {} O 0.0 {0.435431795051 0.654533129571 0.516861790126} O4 3149 -1 1 {} H 0.0 {0.43655053794 0.654835524565 0.527297685514} H4 3150 -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 1 0 0 3 0 0 0 4 3 0 0 5 0 0 0 6 5 0 0 7 0 0 0 8 7 0 0 10 9 0 0 11 10 0 0 12 9 0 0 13 12 0 0 14 9 0 0 15 14 0 0 16 9 0 0 17 16 0 0 19 18 0 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2796 3146 3141 {0 0 0} 0 2797 3147 3146 {0 0 0} 0 2798 3148 3141 {0 0 0} 0 2799 3149 3148 {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 ? {} {} {} {}}} } } }