#MD System 2.0 @Title neb0_image07 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849060709683 0.30759098904 0.0629528863549} Si1 1 0.0 1 14 {} {0.84972657847 0.385197975752 0.444522301913} Si2 2 0.0 1 14 {} {0.0990301083458 0.307350757048 0.19264162967} Si3 3 0.0 1 14 {} {0.0990674949294 0.383475128055 0.317604758245} Si4 4 0.0 1 14 {} {0.85709817529 0.541473780043 0.437100473675} Si5 5 0.0 1 14 {} {0.104635568913 0.538092143195 0.307931551869} Si6 6 0.0 1 14 {} {0.84922870773 0.458775961238 0.0660138095175} Si7 7 0.0 1 14 {} {0.845389606149 0.229676082761 0.442052578084} Si8 8 0.0 1 14 {} {0.100040538145 0.458738411673 0.193040166174} Si9 9 0.0 1 14 {} {0.0952265054774 0.228935529795 0.313915694581} Si10 10 0.0 1 8 {} {0.367431521738 0.596273538309 0.514617452391} O1 11 0.0 1 14 {} {0.33874538244 0.661679767663 0.518501165804} Si11 12 0.0 1 8 {} {0.111843146565 0.589576751364 0.210211839863} O2 13 0.0 1 1 {} {0.0121504912972 0.593555977363 0.149998197432} H1 14 0.0 1 8 {} {0.334492881939 0.178082894297 0.540672633627} O3 15 0.0 1 1 {} {0.933433942888 0.175135384679 0.601278510943} H2 16 0.0 1 8 {} {0.0841578956497 0.17719931259 0.216001860416} O4 17 0.0 1 1 {} {0.183142648552 0.173733592117 0.155801165208} H3 18 0.0 1 14 {} {0.84946393344 0.307946640807 0.564986301783} Si12 19 0.0 1 14 {} {0.849496677345 0.384183137476 0.939129375361} Si13 20 0.0 1 14 {} {0.0993437313097 0.308912277319 0.694058729559} Si14 21 0.0 1 14 {} {0.10007594938 0.387371539413 0.812932731716} Si15 22 0.0 1 14 {} {0.850285566969 0.537189049894 0.949257895889} Si16 23 0.0 1 14 {} {0.101098905326 0.542160740571 0.824808445592} Si17 24 0.0 1 14 {} {0.850959486932 0.464052314052 0.561678685974} Si18 25 0.0 1 14 {} {0.845406089985 0.228943231189 0.94253768086} Si19 26 0.0 1 14 {} {0.100111831327 0.466330905835 0.692119818648} Si20 27 0.0 1 14 {} {0.0955731895631 0.229978470331 0.815049400686} Si21 28 0.0 1 8 {} {0.364306449271 0.588924244402 0.0465983612789} O5 29 0.0 1 1 {} {0.263614614837 0.593806373625 0.10563559602} H4 30 0.0 1 8 {} {0.132992950584 0.603350187932 0.774758555083} O6 31 0.0 1 1 {} {0.0680677303266 0.62271903148 0.711995149561} H5 32 0.0 1 8 {} {0.33431031191 0.177364330253 0.0410144511022} O7 33 0.0 1 1 {} {0.933374926848 0.173863789718 0.101103529968} H6 34 0.0 1 8 {} {0.084477530041 0.179312552782 0.714174000179} O8 35 0.0 1 1 {} {0.183985412319 0.175663551413 0.654300213416} H7 36 0.0 1 14 {} {0.349076343611 0.307609901002 0.0629845302624} Si22 37 0.0 1 14 {} {0.349343018189 0.385648475186 0.444071401101} Si23 38 0.0 1 14 {} {0.599091236638 0.307689596942 0.192583938316} Si24 39 0.0 1 14 {} {0.599987925888 0.38368375153 0.31816259211} Si25 40 0.0 1 14 {} {0.35614716818 0.541362029808 0.432521528747} Si26 41 0.0 1 14 {} {0.606801964899 0.539392123768 0.309746092717} Si27 42 0.0 1 14 {} {0.351957891991 0.458678316205 0.0678116747744} Si28 43 0.0 1 14 {} {0.345276309575 0.22950506918 0.44183892494} Si29 44 0.0 1 14 {} {0.601842649093 0.459657613522 0.195777167319} Si30 45 0.0 1 14 {} {0.595399087875 0.22928492798 0.314001367197} Si31 46 0.0 1 8 {} {0.862333135344 0.592382711194 0.533704823769} O9 47 0.0 1 1 {} {0.943897931615 0.621672865064 0.522803061102} H8 48 0.0 1 8 {} {0.61448459497 0.591047466702 0.212394456185} O10 49 0.0 1 1 {} {0.513957496866 0.594281465258 0.152311468409} H9 50 0.0 1 8 {} {0.834234991844 0.178315735295 0.54101060799} O11 51 0.0 1 1 {} {0.433605271254 0.174704405153 0.600919508586} H10 52 0.0 1 8 {} {0.584525792275 0.177612716568 0.215917425264} O12 53 0.0 1 1 {} {0.683482374569 0.174094001525 0.155712409263} H11 54 0.0 1 14 {} {0.348903876902 0.30799982238 0.564685835748} Si32 55 0.0 1 14 {} {0.350279357558 0.384386636495 0.939755715612} Si33 56 0.0 1 14 {} {0.599069106111 0.308322230051 0.693508449709} Si34 57 0.0 1 14 {} {0.599707044658 0.386337743183 0.812486480734} Si35 58 0.0 1 14 {} {0.349481751615 0.536707419674 0.951469877307} Si36 59 0.0 1 14 {} {0.598523134737 0.539821335936 0.824063773365} Si37 60 0.0 1 14 {} {0.350421656438 0.465160894317 0.561925021961} Si38 61 0.0 1 14 {} {0.345576381834 0.228920453286 0.942651900698} Si39 62 0.0 1 14 {} {0.600676600848 0.464578488432 0.691573067696} Si40 63 0.0 1 14 {} {0.595417239035 0.229632436575 0.814820271238} Si41 64 0.0 1 8 {} {0.861530632413 0.589737837199 0.0440438207031} O13 65 0.0 1 1 {} {0.762395296712 0.594213024975 0.10473535128} H12 66 0.0 1 8 {} {0.597778974762 0.595309194192 0.745473776509} O14 67 0.0 1 14 {} {0.598429236292 0.659403371617 0.744784758288} Si42 68 0.0 1 8 {} {0.834432939153 0.177385204676 0.0408766243501} O15 69 0.0 1 1 {} {0.433299197996 0.173950828142 0.101227121696} H13 70 0.0 1 8 {} {0.584360393109 0.178752982106 0.714524234813} O16 71 0.0 1 1 {} {0.683703407641 0.17536521432 0.654414766227} H14 72 0.0 1 7 {} {0.448936658441 0.687452306688 0.645540381161} N 73 0.0 1 1 {} {0.436392107694 0.752146136953 0.65595343953} H16 74 0.0 1 9 {} {0.79306867466 0.679015068932 0.718639650132} F4 75 0.0 1 9 {} {0.293153624495 0.678341357814 0.379072794271} F5 76 0.0 1 9 {} {0.548256964812 0.680262115532 0.878954071264} F3 77 0.0 1 9 {} {0.136494927884 0.66751431365 0.571089508307} F1 78 0.0 1 9 {} {0.433697305154 0.790261775666 0.661638643204} F2 79 0.0 1 9 {} {0.565763861165 0.690216591075 0.491071405406} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 58 42 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 2 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 67 74 {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