#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 {} {0.84832292726 0.307127032973 0.0629388451993} Si1 1 0.0 1 14 {} {0.848690283572 0.385125061323 0.444554099206} Si2 2 0.0 1 14 {} {0.098272635032 0.306997859773 0.192991418973} Si3 3 0.0 1 14 {} {0.098447397901 0.383139240233 0.317899098713} Si4 4 0.0 1 14 {} {0.855525910009 0.541306232702 0.436786490446} Si5 5 0.0 1 14 {} {0.103790839701 0.53744519546 0.307357752924} Si6 6 0.0 1 14 {} {0.848799675623 0.458307134851 0.0654280861067} Si7 7 0.0 1 14 {} {0.844928980136 0.229306413789 0.442199735538} Si8 8 0.0 1 14 {} {0.0993677756257 0.458329175413 0.192816232999} Si9 9 0.0 1 14 {} {0.0948127933583 0.228556381465 0.313914245402} Si10 10 0.0 1 8 {} {0.358127608363 0.594459185149 0.518128108904} O1 11 0.0 1 14 {} {0.334309570541 0.658846995496 0.525887900203} Si11 12 0.0 1 8 {} {0.111725616925 0.589512937577 0.211502617644} O2 13 0.0 1 1 {} {0.0120907154659 0.593561638234 0.151237569125} H1 14 0.0 1 8 {} {0.333888413291 0.177850891476 0.541195828554} O3 15 0.0 1 1 {} {0.933049600293 0.174741170244 0.601586378839} H2 16 0.0 1 8 {} {0.083603948253 0.176929389152 0.215918568844} O4 17 0.0 1 1 {} {0.182682812055 0.173322181269 0.155866725639} H3 18 0.0 1 14 {} {0.848715174716 0.307663776622 0.564509729403} Si12 19 0.0 1 14 {} {0.849078050051 0.38361503601 0.938975164172} Si13 20 0.0 1 14 {} {0.0986316718665 0.308088410657 0.693856314569} Si14 21 0.0 1 14 {} {0.099418434758 0.386183948599 0.812638731956} Si15 22 0.0 1 14 {} {0.848985695503 0.53726960978 0.94916903292} Si16 23 0.0 1 14 {} {0.0993912206823 0.54179573674 0.822936808205} Si17 24 0.0 1 14 {} {0.850014916152 0.464018051127 0.561790177759} Si18 25 0.0 1 14 {} {0.844981964004 0.22850887546 0.942727897142} Si19 26 0.0 1 14 {} {0.0990327042844 0.46518274151 0.693184660326} Si20 27 0.0 1 14 {} {0.0950198123555 0.229379075022 0.814826430647} Si21 28 0.0 1 8 {} {0.362434925255 0.588664067737 0.046560591004} O5 29 0.0 1 1 {} {0.262363015569 0.593629593021 0.106006188889} H4 30 0.0 1 8 {} {0.12944115756 0.599331899749 0.753686425939} O6 31 0.0 1 1 {} {0.0341496011115 0.622967175567 0.731605264477} H5 32 0.0 1 8 {} {0.333707130313 0.176971364683 0.0411263350965} O7 33 0.0 1 1 {} {0.932860037361 0.173424271524 0.101218707612} H6 34 0.0 1 8 {} {0.0839057306937 0.178610907254 0.714470582075} O8 35 0.0 1 1 {} {0.183384023267 0.174999032118 0.654594423932} H7 36 0.0 1 14 {} {0.348333184894 0.307089327461 0.0629837983099} Si22 37 0.0 1 14 {} {0.349009388811 0.384959482916 0.444094171771} Si23 38 0.0 1 14 {} {0.598369036082 0.307125546802 0.192942439879} Si24 39 0.0 1 14 {} {0.599224370602 0.383144143087 0.317955022246} Si25 40 0.0 1 14 {} {0.35459297768 0.541004697651 0.435546866176} Si26 41 0.0 1 14 {} {0.605726109747 0.538447390995 0.308573150821} Si27 42 0.0 1 14 {} {0.350549277133 0.458296089692 0.0665076885169} Si28 43 0.0 1 14 {} {0.344927628609 0.229066924736 0.442057117506} Si29 44 0.0 1 14 {} {0.600525847979 0.458823247612 0.194631723033} Si30 45 0.0 1 14 {} {0.594949225264 0.228682305918 0.313862823775} Si31 46 0.0 1 8 {} {0.852846440513 0.594218762913 0.525864099311} O9 47 0.0 1 1 {} {0.943068361874 0.621537210349 0.521524398697} H8 48 0.0 1 8 {} {0.614102507825 0.589748985491 0.211142583646} O10 49 0.0 1 1 {} {0.513396068884 0.593868426425 0.151579917975} H9 50 0.0 1 8 {} {0.833751837712 0.178144501188 0.541487405969} O11 51 0.0 1 1 {} {0.433078941087 0.174416832885 0.601345500789} H10 52 0.0 1 8 {} {0.583914196636 0.177064457122 0.215842027322} O12 53 0.0 1 1 {} {0.682901812093 0.173454210032 0.155704523726} H11 54 0.0 1 14 {} {0.348385609215 0.307456355762 0.564362875043} Si32 55 0.0 1 14 {} {0.349517304964 0.383715164624 0.939507409632} Si33 56 0.0 1 14 {} {0.598506355442 0.307863185448 0.693501022415} Si34 57 0.0 1 14 {} {0.599246962559 0.385841366633 0.812295500428} Si35 58 0.0 1 14 {} {0.348066390228 0.536753854643 0.9509105873} Si36 59 0.0 1 14 {} {0.596493359797 0.540571466857 0.822153328263} Si37 60 0.0 1 14 {} {0.349581757672 0.463839516055 0.562554679093} Si38 61 0.0 1 14 {} {0.344941055163 0.228480315213 0.94282457992} Si39 62 0.0 1 14 {} {0.600128629841 0.464352359976 0.69263392747} Si40 63 0.0 1 14 {} {0.594924289559 0.229245968416 0.814801496563} Si41 64 0.0 1 8 {} {0.861861509869 0.589345508165 0.0445611017882} O13 65 0.0 1 1 {} {0.762331865324 0.593950563896 0.104906170055} H12 66 0.0 1 8 {} {0.594149777408 0.595520036257 0.743643590258} O14 67 0.0 1 14 {} {0.601107220797 0.660670370341 0.739732302378} Si42 68 0.0 1 8 {} {0.833865488567 0.177015538608 0.0410696148264} O15 69 0.0 1 1 {} {0.432778574036 0.173398193498 0.101199140501} H13 70 0.0 1 8 {} {0.583775768971 0.178386958482 0.714676722625} O16 71 0.0 1 1 {} {0.68318330615 0.174905848068 0.654686434931} H14 72 0.0 1 7 {} {0.463826443547 0.68378735655 0.633453188275} N 73 0.0 1 1 {} {0.438420633349 0.744078843842 0.652683023937} H16 74 0.0 1 9 {} {0.802917793952 0.674740165094 0.72110481944} F4 75 0.0 1 9 {} {0.36191149383 0.678044602043 0.388847746969} F5 76 0.0 1 9 {} {0.555991334373 0.680182305445 0.875779865368} F3 77 0.0 1 9 {} {0.129060082256 0.668547330773 0.553985504855} F1 78 0.0 1 9 {} {0.418399319118 0.782484777521 0.675157073656} F2 79 0.0 1 9 {} {0.593450383106 0.746996121442 0.507481191725} 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