#MD System 2.0 @Title neb0_image03 @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 {} {0.84835284744 0.30712603502 0.0629889205564} Si1 1 0.0 1 14 {} {0.8487127021 0.385138354116 0.4445458872} Si2 2 0.0 1 14 {} {0.0982939491033 0.307013847115 0.19292952537} Si3 3 0.0 1 14 {} {0.0984811641051 0.383134215955 0.317919688316} Si4 4 0.0 1 14 {} {0.855913980215 0.541398693685 0.436450276345} Si5 5 0.0 1 14 {} {0.103639263983 0.537377494633 0.307540115441} Si6 6 0.0 1 14 {} {0.848524516554 0.458285293326 0.0656801559977} Si7 7 0.0 1 14 {} {0.844892355727 0.229310972122 0.442114361315} Si8 8 0.0 1 14 {} {0.0993534431092 0.458296981571 0.192761156873} Si9 9 0.0 1 14 {} {0.0947693384679 0.228577123214 0.313992147485} Si10 10 0.0 1 8 {} {0.35839768622 0.59429882381 0.519416094142} O1 11 0.0 1 14 {} {0.33177979928 0.657519815827 0.528413044464} Si11 12 0.0 1 8 {} {0.111911530857 0.589564277938 0.211363179329} O2 13 0.0 1 1 {} {0.0120744243654 0.593563512748 0.151138336744} H1 14 0.0 1 8 {} {0.333862883943 0.177820697059 0.541188024362} O3 15 0.0 1 1 {} {0.933063066287 0.174752525674 0.601625935572} H2 16 0.0 1 8 {} {0.0835965715812 0.176915277723 0.215916265609} O4 17 0.0 1 1 {} {0.182707640301 0.173339992285 0.155845893899} H3 18 0.0 1 14 {} {0.848739478653 0.307674397799 0.564546520916} Si12 19 0.0 1 14 {} {0.849100081492 0.383645476488 0.938952247172} Si13 20 0.0 1 14 {} {0.0986276556241 0.308103760935 0.693815886899} Si14 21 0.0 1 14 {} {0.0994425425429 0.386173666253 0.812574658089} Si15 22 0.0 1 14 {} {0.848560465832 0.537070014827 0.949323382666} Si16 23 0.0 1 14 {} {0.0988508449871 0.541705396319 0.823096627011} Si17 24 0.0 1 14 {} {0.850084684401 0.464018343524 0.561804550948} Si18 25 0.0 1 14 {} {0.84495133799 0.228517219962 0.942634903111} Si19 26 0.0 1 14 {} {0.0991012167152 0.464848652396 0.692664548885} Si20 27 0.0 1 14 {} {0.0949769410482 0.229416577538 0.814900177686} Si21 28 0.0 1 8 {} {0.362285565415 0.58878188278 0.0465702737698} O5 29 0.0 1 1 {} {0.262080220032 0.593596571661 0.10624149231} H4 30 0.0 1 8 {} {0.126125035287 0.598961980812 0.753717542459} O6 31 0.0 1 1 {} {0.0364206626091 0.623776266832 0.730429155793} H5 32 0.0 1 8 {} {0.333705139569 0.176959149963 0.0411420374077} O7 33 0.0 1 1 {} {0.932880644533 0.173445955887 0.101253407899} H6 34 0.0 1 8 {} {0.0839020831978 0.178608245518 0.714487830843} O8 35 0.0 1 1 {} {0.183389253494 0.175027143529 0.65459151818} H7 36 0.0 1 14 {} {0.348329491343 0.307102833407 0.0630429207953} Si22 37 0.0 1 14 {} {0.349055625392 0.384847137385 0.444023212963} Si23 38 0.0 1 14 {} {0.598376071641 0.307146732839 0.19286392687} Si24 39 0.0 1 14 {} {0.599238196174 0.383202992518 0.317908368986} Si25 40 0.0 1 14 {} {0.354339202658 0.540784500831 0.435139790652} Si26 41 0.0 1 14 {} {0.605794906492 0.53851949591 0.309025699377} Si27 42 0.0 1 14 {} {0.350747192226 0.458264922022 0.0666858744956} Si28 43 0.0 1 14 {} {0.344867954757 0.229068426241 0.441974281469} Si29 44 0.0 1 14 {} {0.600524632425 0.458939902887 0.194888361712} Si30 45 0.0 1 14 {} {0.594920194323 0.228698611716 0.31396415514} Si31 46 0.0 1 8 {} {0.852787083876 0.594384303896 0.525790691585} O9 47 0.0 1 1 {} {0.944468014139 0.62143403475 0.522613576729} H8 48 0.0 1 8 {} {0.614325681123 0.589803501791 0.210783058544} O10 49 0.0 1 1 {} {0.513447670786 0.593898823106 0.151265754763} H9 50 0.0 1 8 {} {0.833740480716 0.178117127063 0.541501602666} O11 51 0.0 1 1 {} {0.433064145969 0.174428113452 0.601369165593} H10 52 0.0 1 8 {} {0.583896060706 0.177054024162 0.215839261497} O12 53 0.0 1 1 {} {0.682919739493 0.173472308725 0.155690025674} H11 54 0.0 1 14 {} {0.348376253906 0.307424425676 0.564469778496} Si32 55 0.0 1 14 {} {0.349555701821 0.383724784462 0.93943317469} Si33 56 0.0 1 14 {} {0.598534213084 0.307869791309 0.693430096933} Si34 57 0.0 1 14 {} {0.599276020886 0.385844226599 0.812288324277} Si35 58 0.0 1 14 {} {0.348947102203 0.536725822393 0.950655309502} Si36 59 0.0 1 14 {} {0.597304438586 0.540347047819 0.822480304218} Si37 60 0.0 1 14 {} {0.349759212116 0.46362487788 0.562602565824} Si38 61 0.0 1 14 {} {0.344877114353 0.228501404118 0.94275165543} Si39 62 0.0 1 14 {} {0.600161724482 0.464338170886 0.69242345356} Si40 63 0.0 1 14 {} {0.594854783046 0.229259394434 0.814912921706} Si41 64 0.0 1 8 {} {0.862099652588 0.589416010324 0.0445598807939} O13 65 0.0 1 1 {} {0.762479961664 0.59383406815 0.104851019093} H12 66 0.0 1 8 {} {0.593865051537 0.595103366673 0.742475446843} O14 67 0.0 1 14 {} {0.599115205668 0.659605060242 0.742680493162} Si42 68 0.0 1 8 {} {0.833853221886 0.176996018791 0.0410841561589} O15 69 0.0 1 1 {} {0.432811883039 0.17341841661 0.101227245806} H13 70 0.0 1 8 {} {0.583756173484 0.178376359562 0.714683024305} O16 71 0.0 1 1 {} {0.68319217466 0.174932291469 0.654671809964} H14 72 0.0 1 7 {} {0.454135590579 0.683018971483 0.641349073267} N 73 0.0 1 1 {} {0.450104742499 0.726807005906 0.643600610707} H16 74 0.0 1 9 {} {0.801908973408 0.674700012656 0.721337912057} F4 75 0.0 1 9 {} {0.363120040366 0.678874025201 0.390639599695} F5 76 0.0 1 9 {} {0.557042054861 0.680553891403 0.878756568647} F3 77 0.0 1 9 {} {0.126466956883 0.668323336296 0.553482869821} F1 78 0.0 1 9 {} {0.442186024832 0.785929680215 0.652359166048} F2 79 0.0 1 9 {} {0.571865044051 0.763953429256 0.522099371632} 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 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 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 0 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 44 41 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 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 68 33 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 41 44 {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