#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 {} {0.848453991501 0.307227290353 0.0630503323475} Si1 1 0.0 1 14 {} {0.848830015183 0.385249027369 0.444866194872} Si2 2 0.0 1 14 {} {0.0984330269996 0.307096852235 0.193136462384} Si3 3 0.0 1 14 {} {0.0985807851599 0.383326135107 0.318086609447} Si4 4 0.0 1 14 {} {0.856016145195 0.540996530182 0.436822565832} Si5 5 0.0 1 14 {} {0.103466488469 0.537494190883 0.307535627316} Si6 6 0.0 1 14 {} {0.850450303103 0.458893517679 0.0646339079345} Si7 7 0.0 1 14 {} {0.84520147707 0.229350520738 0.442143075529} Si8 8 0.0 1 14 {} {0.0995395655801 0.458456373714 0.193086712336} Si9 9 0.0 1 14 {} {0.0950938551464 0.22860634166 0.314022920434} Si10 10 0.0 1 8 {} {0.354194885853 0.59304197282 0.522340992061} O1 11 0.0 1 14 {} {0.331993216112 0.657334785352 0.528629193308} Si11 12 0.0 1 8 {} {0.110970582315 0.58975302778 0.211840748713} O2 13 0.0 1 1 {} {0.0112765393198 0.593383940473 0.151315577775} H1 14 0.0 1 8 {} {0.334205054276 0.177993699868 0.541117491316} O3 15 0.0 1 1 {} {0.933257575353 0.17477359009 0.601519915329} H2 16 0.0 1 8 {} {0.0839168525153 0.176900354933 0.216048310973} O4 17 0.0 1 1 {} {0.182835172001 0.173352818819 0.155853884177} H3 18 0.0 1 14 {} {0.848941610902 0.307726110976 0.564627249726} Si12 19 0.0 1 14 {} {0.849425339028 0.38387557142 0.939057695223} Si13 20 0.0 1 14 {} {0.0990351686659 0.308338598779 0.69384223133} Si14 21 0.0 1 14 {} {0.0994386542531 0.386551882231 0.812281255901} Si15 22 0.0 1 14 {} {0.850841194704 0.5377692436 0.949079587257} Si16 23 0.0 1 14 {} {0.101976835287 0.541632727602 0.824574584758} Si17 24 0.0 1 14 {} {0.850047020988 0.463967774993 0.562838719943} Si18 25 0.0 1 14 {} {0.845158584576 0.228532233663 0.942587696475} Si19 26 0.0 1 14 {} {0.0990971023742 0.465324721897 0.69340128667} Si20 27 0.0 1 14 {} {0.0952798746967 0.229472777425 0.814791064418} Si21 28 0.0 1 8 {} {0.362937498021 0.58878288791 0.0474720253408} O5 29 0.0 1 1 {} {0.262333825176 0.593837079095 0.106390723459} H4 30 0.0 1 8 {} {0.126015616397 0.598771891267 0.753883516594} O6 31 0.0 1 1 {} {0.02764251067 0.622298746377 0.735659622208} H5 32 0.0 1 8 {} {0.334049717679 0.176904710542 0.0410350268383} O7 33 0.0 1 1 {} {0.933009887441 0.173445643179 0.101170783704} H6 34 0.0 1 8 {} {0.0842543320282 0.178582511145 0.714555752013} O8 35 0.0 1 1 {} {0.183581467318 0.175033553566 0.654532439357} H7 36 0.0 1 14 {} {0.348331261156 0.307069269434 0.0630389987096} Si22 37 0.0 1 14 {} {0.348845134446 0.38538077542 0.444499372075} Si23 38 0.0 1 14 {} {0.598319443055 0.307210656957 0.193153044585} Si24 39 0.0 1 14 {} {0.599108181227 0.383575512404 0.317896556206} Si25 40 0.0 1 14 {} {0.354026872404 0.540073894577 0.434447627674} Si26 41 0.0 1 14 {} {0.606329534459 0.538364323201 0.308804379735} Si27 42 0.0 1 14 {} {0.350591708939 0.458043879124 0.067105082309} Si28 43 0.0 1 14 {} {0.345148510135 0.229292580402 0.44201063175} Si29 44 0.0 1 14 {} {0.601788270462 0.459016934827 0.193587635868} Si30 45 0.0 1 14 {} {0.595157699607 0.228676620054 0.314051705818} Si31 46 0.0 1 8 {} {0.853738383814 0.593460390801 0.527265796535} O9 47 0.0 1 1 {} {0.93898324507 0.622254536664 0.518594209688} H8 48 0.0 1 8 {} {0.614377569803 0.590134500021 0.211953685281} O10 49 0.0 1 1 {} {0.513158090789 0.594027265866 0.152700851277} H9 50 0.0 1 8 {} {0.834044894651 0.178088501363 0.541343406088} O11 51 0.0 1 1 {} {0.433375390393 0.174521991991 0.601254508731} H10 52 0.0 1 8 {} {0.584205966316 0.177000104668 0.215983548769} O12 53 0.0 1 1 {} {0.683098384614 0.173513547059 0.155728047369} H11 54 0.0 1 14 {} {0.348642695487 0.307780543794 0.564213662317} Si32 55 0.0 1 14 {} {0.349231106315 0.383684822632 0.939389810033} Si33 56 0.0 1 14 {} {0.598598072073 0.307914697322 0.6934576088} Si34 57 0.0 1 14 {} {0.599206113562 0.385800080997 0.812429134313} Si35 58 0.0 1 14 {} {0.350528666505 0.536548817802 0.952169274402} Si36 59 0.0 1 14 {} {0.598379388962 0.539552034582 0.824261143359} Si37 60 0.0 1 14 {} {0.34895281018 0.463848807799 0.563237968002} Si38 61 0.0 1 14 {} {0.345142146612 0.228468132703 0.942683710733} Si39 62 0.0 1 14 {} {0.599474612403 0.464113219092 0.692575330119} Si40 63 0.0 1 14 {} {0.595080865639 0.229274415915 0.814755086094} Si41 64 0.0 1 8 {} {0.861765892679 0.589968874908 0.0448438315492} O13 65 0.0 1 1 {} {0.76161772966 0.594237323639 0.104818266636} H12 66 0.0 1 8 {} {0.593836824946 0.594370486585 0.743493278906} O14 67 0.0 1 14 {} {0.597052296144 0.658946346776 0.743177891239} Si42 68 0.0 1 8 {} {0.834097692253 0.176957478514 0.0409379819912} O15 69 0.0 1 1 {} {0.43297798816 0.173442606376 0.101261093139} H13 70 0.0 1 8 {} {0.584171740038 0.178303275423 0.714757027803} O16 71 0.0 1 1 {} {0.683446527467 0.174911410382 0.654630827671} H14 72 0.0 1 7 {} {0.44934626998 0.683590221557 0.643925453922} N 73 0.0 1 1 {} {0.439044497579 0.725865186441 0.650073701924} H16 74 0.0 1 9 {} {0.797697711395 0.674851002056 0.718498395038} F4 75 0.0 1 9 {} {0.365439385686 0.679781543782 0.392938946147} F5 76 0.0 1 9 {} {0.560153020831 0.679474733988 0.880204504334} F3 77 0.0 1 9 {} {0.124668499493 0.66785823778 0.546787627557} F1 78 0.0 1 9 {} {0.454420818479 0.785824943718 0.639616053702} F2 79 0.0 1 9 {} {0.58065889393 0.765280149812 0.513862889043} 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