#MD System 2.0 @Title neb0_image04 @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 {} {0.848334501387 0.307072188082 0.0630081347515} Si1 1 0.0 1 14 {} {0.848826351464 0.385136578418 0.44473753465} Si2 2 0.0 1 14 {} {0.0983080994838 0.307006976779 0.193024366466} Si3 3 0.0 1 14 {} {0.0985809042075 0.383157198433 0.317901207301} Si4 4 0.0 1 14 {} {0.85576371335 0.541180553408 0.43675010687} Si5 5 0.0 1 14 {} {0.103845038036 0.537501129435 0.307478176289} Si6 6 0.0 1 14 {} {0.849693916825 0.458692907729 0.0645220319344} Si7 7 0.0 1 14 {} {0.845019370222 0.229288372695 0.442199895915} Si8 8 0.0 1 14 {} {0.0996134529898 0.458448192989 0.193150563372} Si9 9 0.0 1 14 {} {0.0948789696648 0.228541262966 0.313901533128} Si10 10 0.0 1 8 {} {0.354194649717 0.593143271702 0.520531301324} O1 11 0.0 1 14 {} {0.336806414457 0.65835439215 0.522959558403} Si11 12 0.0 1 8 {} {0.111428382136 0.589581883481 0.211643395763} O2 13 0.0 1 1 {} {0.0116865111322 0.593487407818 0.151306622737} H1 14 0.0 1 8 {} {0.333977154138 0.177889785215 0.541204734409} O3 15 0.0 1 1 {} {0.93310596152 0.174695350065 0.601565106155} H2 16 0.0 1 8 {} {0.0836641387036 0.176898749483 0.215937940311} O4 17 0.0 1 1 {} {0.182700051449 0.173275110271 0.155863541607} H3 18 0.0 1 14 {} {0.848744467886 0.307665672539 0.564501660824} Si12 19 0.0 1 14 {} {0.849080122278 0.383569247026 0.938994229689} Si13 20 0.0 1 14 {} {0.098798232887 0.308155311007 0.693794514188} Si14 21 0.0 1 14 {} {0.0994676768348 0.386415937422 0.812297276748} Si15 22 0.0 1 14 {} {0.849753498849 0.53768674037 0.948546425385} Si16 23 0.0 1 14 {} {0.101201391115 0.541684145011 0.823311477408} Si17 24 0.0 1 14 {} {0.850073455349 0.46402096327 0.562630833755} Si18 25 0.0 1 14 {} {0.844980731269 0.22847394655 0.942737059518} Si19 26 0.0 1 14 {} {0.099199588489 0.465366038872 0.693453915175} Si20 27 0.0 1 14 {} {0.0950792454292 0.229333501841 0.814859804598} Si21 28 0.0 1 8 {} {0.36245096995 0.588636872027 0.0469187570705} O5 29 0.0 1 1 {} {0.262411545485 0.593813275939 0.106225629375} H4 30 0.0 1 8 {} {0.127600075614 0.59883206964 0.752650854491} O6 31 0.0 1 1 {} {0.0304919942657 0.622552464845 0.734550229722} H5 32 0.0 1 8 {} {0.333787024183 0.176936183034 0.0411135529209} O7 33 0.0 1 1 {} {0.932894234815 0.173374628223 0.10118545495} H6 34 0.0 1 8 {} {0.0839867830843 0.178549139425 0.714490035439} O8 35 0.0 1 1 {} {0.183426971248 0.17492299794 0.654574853722} H7 36 0.0 1 14 {} {0.348316887358 0.307058441899 0.0630200869154} Si22 37 0.0 1 14 {} {0.34869726324 0.385359587523 0.444637335536} Si23 38 0.0 1 14 {} {0.5983060969 0.307020792339 0.1929348594} Si24 39 0.0 1 14 {} {0.598920486645 0.38316495773 0.317907344245} Si25 40 0.0 1 14 {} {0.354265763121 0.539876230887 0.433936119664} Si26 41 0.0 1 14 {} {0.605736798427 0.538320664924 0.308391726691} Si27 42 0.0 1 14 {} {0.350192206559 0.458221014516 0.0662377601357} Si28 43 0.0 1 14 {} {0.344999901794 0.229107184066 0.44203059036} Si29 44 0.0 1 14 {} {0.600701335182 0.458832607727 0.194098730639} Si30 45 0.0 1 14 {} {0.595053275054 0.228627299471 0.313925869249} Si31 46 0.0 1 8 {} {0.853945534699 0.593833586786 0.526324810555} O9 47 0.0 1 1 {} {0.940736738721 0.622189557219 0.519809302833} H8 48 0.0 1 8 {} {0.614342071988 0.589781447412 0.211153913911} O10 49 0.0 1 1 {} {0.513125733239 0.593958468445 0.152122314781} H9 50 0.0 1 8 {} {0.833805478236 0.178121940416 0.541480312154} O11 51 0.0 1 1 {} {0.433177100735 0.174395120732 0.601327221373} H10 52 0.0 1 8 {} {0.583965126598 0.177025175457 0.215876357678} O12 53 0.0 1 1 {} {0.682931084853 0.173417249397 0.155739881765} H11 54 0.0 1 14 {} {0.34852528162 0.307649234862 0.56418875635} Si32 55 0.0 1 14 {} {0.349370087873 0.383612474748 0.939424505902} Si33 56 0.0 1 14 {} {0.598507182599 0.307914155404 0.693556101261} Si34 57 0.0 1 14 {} {0.599018251345 0.385890004901 0.812253648436} Si35 58 0.0 1 14 {} {0.348957250481 0.536711297373 0.951397793549} Si36 59 0.0 1 14 {} {0.596584642881 0.539999088485 0.823365338764} Si37 60 0.0 1 14 {} {0.349075629939 0.464187325403 0.562803572962} Si38 61 0.0 1 14 {} {0.345031053159 0.228441854358 0.942801267664} Si39 62 0.0 1 14 {} {0.599477145348 0.464448878416 0.692493693063} Si40 63 0.0 1 14 {} {0.594993821693 0.229223537181 0.814778138738} Si41 64 0.0 1 8 {} {0.861635818793 0.589525754251 0.0448760090232} O13 65 0.0 1 1 {} {0.761826029043 0.59418591922 0.105080824347} H12 66 0.0 1 8 {} {0.595221465549 0.595004799385 0.743469483515} O14 67 0.0 1 14 {} {0.602841817791 0.660071868749 0.740135272716} Si42 68 0.0 1 8 {} {0.833901917689 0.176973545203 0.041048719163} O15 69 0.0 1 1 {} {0.432814821837 0.173353228479 0.10120747488} H13 70 0.0 1 8 {} {0.583885367431 0.178348379059 0.7146971238} O16 71 0.0 1 1 {} {0.683250385014 0.174835418293 0.654680922081} H14 72 0.0 1 7 {} {0.466854114961 0.685018578758 0.631596576435} N 73 0.0 1 1 {} {0.436537387192 0.745771553496 0.654320037757} H16 74 0.0 1 9 {} {0.804431290848 0.674668523343 0.720563257917} F4 75 0.0 1 9 {} {0.361144360827 0.679141826968 0.385785979253} F5 76 0.0 1 9 {} {0.557128122097 0.680201021507 0.876076975886} F3 77 0.0 1 9 {} {0.130633954169 0.668517326787 0.549834369675} F1 78 0.0 1 9 {} {0.415215221262 0.783514218657 0.677621539019} F2 79 0.0 1 9 {} {0.594105774832 0.745572722565 0.510717110239} 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