#MD System 2.0 @Title neb0_image05 @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 {} {0.848759701083 0.307481156579 0.0634764096289} Si1 1 0.0 1 14 {} {0.849409953402 0.385202539375 0.444250591973} Si2 2 0.0 1 14 {} {0.0987166998081 0.307340201757 0.192620962708} Si3 3 0.0 1 14 {} {0.0987005430555 0.383563595173 0.318109045374} Si4 4 0.0 1 14 {} {0.855031733868 0.540016807685 0.436517215794} Si5 5 0.0 1 14 {} {0.101623511524 0.537027743987 0.307513976299} Si6 6 0.0 1 14 {} {0.850108845936 0.459282244265 0.0636906699923} Si7 7 0.0 1 14 {} {0.845145358955 0.229596054474 0.442007808043} Si8 8 0.0 1 14 {} {0.0986746394219 0.458593993054 0.191508412514} Si9 9 0.0 1 14 {} {0.0950276454495 0.228854920446 0.314147839804} Si10 10 0.0 1 8 {} {0.34777897825 0.592094490412 0.51829625274} O1 11 0.0 1 14 {} {0.330829731223 0.654692743585 0.51624478366} Si11 12 0.0 1 8 {} {0.110782158418 0.590201488269 0.212982314717} O2 13 0.0 1 1 {} {0.0121071285859 0.5931270185 0.151508195754} H1 14 0.0 1 8 {} {0.334424523507 0.178050769489 0.540763780183} O3 15 0.0 1 1 {} {0.933310361265 0.17511922587 0.601555060944} H2 16 0.0 1 8 {} {0.0841230404091 0.177004191917 0.216229196657} O4 17 0.0 1 1 {} {0.182919707723 0.173705384034 0.155760214177} H3 18 0.0 1 14 {} {0.849185923624 0.30790078909 0.565122436229} Si12 19 0.0 1 14 {} {0.849474774364 0.383998772954 0.938385145529} Si13 20 0.0 1 14 {} {0.09930435733 0.308738273824 0.693524781212} Si14 21 0.0 1 14 {} {0.0996359408983 0.386957476228 0.812771470828} Si15 22 0.0 1 14 {} {0.85133415882 0.538460806898 0.946444906804} Si16 23 0.0 1 14 {} {0.105328612407 0.541398767698 0.825934999353} Si17 24 0.0 1 14 {} {0.850472189724 0.463611911966 0.563872615562} Si18 25 0.0 1 14 {} {0.845073779788 0.228829799124 0.94249039362} Si19 26 0.0 1 14 {} {0.0990272101478 0.465729013875 0.693059186432} Si20 27 0.0 1 14 {} {0.0952881825069 0.229783915582 0.815057791249} Si21 28 0.0 1 8 {} {0.363659295117 0.58923541391 0.0466784268648} O5 29 0.0 1 1 {} {0.263180310655 0.593625586749 0.106001769046} H4 30 0.0 1 8 {} {0.136216822404 0.600194525188 0.7570979046} O6 31 0.0 1 1 {} {0.0327155711088 0.619672617918 0.732223374336} H5 32 0.0 1 8 {} {0.334266670724 0.17707510324 0.0408564218859} O7 33 0.0 1 1 {} {0.93308184472 0.173808710526 0.101206490943} H6 34 0.0 1 8 {} {0.084518564362 0.178779104982 0.714756531994} O8 35 0.0 1 1 {} {0.183690730893 0.175459250929 0.654435578314} H7 36 0.0 1 14 {} {0.348730085856 0.307432633824 0.0634830198374} Si22 37 0.0 1 14 {} {0.348770957516 0.385381017442 0.443771709424} Si23 38 0.0 1 14 {} {0.598732335605 0.307533571233 0.192751816218} Si24 39 0.0 1 14 {} {0.599556310182 0.383821086273 0.318483813381} Si25 40 0.0 1 14 {} {0.353610613435 0.536985777654 0.4306662619} Si26 41 0.0 1 14 {} {0.607557605884 0.537855969685 0.308614112042} Si27 42 0.0 1 14 {} {0.350924092304 0.458098488022 0.0679427766343} Si28 43 0.0 1 14 {} {0.34503156409 0.229548985185 0.441871072215} Si29 44 0.0 1 14 {} {0.602372583266 0.458974159476 0.19222702653} Si30 45 0.0 1 14 {} {0.595068543706 0.229030687293 0.314303305666} Si31 46 0.0 1 8 {} {0.851301493664 0.593508104701 0.528797115051} O9 47 0.0 1 1 {} {0.938268489231 0.620881968116 0.516306418571} H8 48 0.0 1 8 {} {0.612971522133 0.590795201254 0.213610864721} O10 49 0.0 1 1 {} {0.513046026951 0.5933255909 0.152650027316} H9 50 0.0 1 8 {} {0.834279370605 0.178166244213 0.541072086843} O11 51 0.0 1 1 {} {0.433421992128 0.174857127035 0.601193725033} H10 52 0.0 1 8 {} {0.584392363882 0.177240668364 0.216207517422} O12 53 0.0 1 1 {} {0.683176205551 0.173964740568 0.1557209297} H11 54 0.0 1 14 {} {0.348692973234 0.307992974763 0.564481215695} Si32 55 0.0 1 14 {} {0.349362410281 0.383944509256 0.938909160288} Si33 56 0.0 1 14 {} {0.598652524466 0.308305493976 0.692950176022} Si34 57 0.0 1 14 {} {0.599183761263 0.386180999387 0.812934346174} Si35 58 0.0 1 14 {} {0.351634081709 0.536263967454 0.952143976025} Si36 59 0.0 1 14 {} {0.597493018993 0.539510593487 0.823780244281} Si37 60 0.0 1 14 {} {0.348501905024 0.462960307941 0.564909575252} Si38 61 0.0 1 14 {} {0.34516062118 0.228799581094 0.942617469311} Si39 62 0.0 1 14 {} {0.599677042739 0.464337753472 0.69147068905} Si40 63 0.0 1 14 {} {0.595014828418 0.229594503985 0.814901280503} Si41 64 0.0 1 8 {} {0.860371236385 0.590565567265 0.0440569167685} O13 65 0.0 1 1 {} {0.761433609078 0.593886331379 0.105357506045} H12 66 0.0 1 8 {} {0.590300246398 0.595515255081 0.740919049825} O14 67 0.0 1 14 {} {0.607802792518 0.658367195492 0.736075892368} Si42 68 0.0 1 8 {} {0.834269123504 0.177096936248 0.0407297994668} O15 69 0.0 1 1 {} {0.433053634703 0.17383922582 0.101351358483} H13 70 0.0 1 8 {} {0.584371797076 0.178484806355 0.714939798401} O16 71 0.0 1 1 {} {0.683498597051 0.17529118289 0.654545974165} H14 72 0.0 1 7 {} {0.484815106161 0.685968639703 0.612917879852} N 73 0.0 1 1 {} {0.417835359523 0.756558552629 0.666558627027} H16 74 0.0 1 9 {} {0.804972143086 0.677809224121 0.716690749999} F4 75 0.0 1 9 {} {0.344796636264 0.680567322319 0.382746734281} F5 76 0.0 1 9 {} {0.540010803786 0.685215957389 0.859698474539} F3 77 0.0 1 9 {} {0.138086307025 0.671362631929 0.561136414864} F1 78 0.0 1 9 {} {0.411376253198 0.792607457429 0.684233792606} F2 79 0.0 1 9 {} {0.611534380942 0.711790907856 0.536417664111} 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