#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 WyckoffPosition int -1 @end @data 6 {} {0.212829656132 0.527273694704 0.322379301951} C1 1 1 14 {} {0.266771051015 0.490308398821 0.280529176117} Si1 2 1 14 {} {0.166124083944 0.535798459398 0.24140912319} Si2 3 1 8 {} {0.279394567541 0.5235214445 0.182789073083} O1 4 1 8 {} {0.30671491484 0.510575870796 0.351547590266} O2 5 1 6 {} {0.264795304836 0.397110393906 0.273518489995} C2 6 1 6 {} {0.134597082211 0.456070855123 0.223628403007} C3 7 1 8 {} {0.190626966519 0.561591863846 0.147105259808} O3 8 1 8 {} {0.130778389379 0.596966042481 0.268238529824} O4 9 1 14 {} {0.358214560678 0.539485626264 0.356595520125} Si3 10 1 7 {} {0.392961163965 0.476578819819 0.398230023997} N1 11 1 14 {} {0.447405575802 0.475055289673 0.357393629417} Si4 12 1 14 {} {0.372573976688 0.422393460467 0.481030989204} Si5 13 1 7 {} {0.343461640172 0.460225465434 0.566436176529} N2 14 1 7 {} {0.46937258052 0.554784532781 0.363574595896} N3 15 1 1 {} {0.201211338826 0.498680831203 0.380886189597} H1 16 1 1 {} {0.220643790783 0.578112223808 0.346581372536} H2 17 1 1 {} {0.253812458673 0.543508350748 0.152047826507} H3 18 1 1 {} {0.259639899959 0.37417640794 0.339406506528} H4 19 1 1 {} {0.296521431941 0.378137971047 0.246721282364} H5 20 1 1 {} {0.238019545159 0.380014220261 0.228806191304} H6 21 1 1 {} {0.108074888079 0.462232023587 0.17357987104} H7 22 1 1 {} {0.119064275668 0.438305803002 0.285799197161} H8 23 1 1 {} {0.157004869765 0.416272229885 0.200002062378} H9 24 1 1 {} {0.172149842941 0.584703178896 0.103864876609} H10 25 1 1 {} {0.102401731514 0.584588966752 0.294346365666} H11 26 1 1 {} {0.374612605691 0.55947439246 0.266661257541} H12 27 1 1 {} {0.35708292646 0.598371366924 0.417685449522} H13 28 1 1 {} {0.471419205032 0.422625350538 0.410014036383} H14 29 1 1 {} {0.449509201119 0.457728233223 0.260579921385} H15 30 1 1 {} {0.341089281989 0.373222537323 0.440771189011} H16 31 1 1 {} {0.412042040344 0.388157622822 0.520346878323} H17 32 1 1 {} {0.311838403322 0.476685837632 0.555502533881} H18 33 1 1 {} {0.359485187495 0.490590162089 0.610468170934} H19 34 1 1 {} {0.492239605845 0.569702955045 0.317522726518} H20 35 1 1 {} {0.47519262306 0.5769130549 0.423537172302} H21 36 1 6 {} {0.647367073714 0.638530246756 0.490325383337} C4 37 1 14 {} {0.607875300665 0.574690213587 0.44239534219} Si6 38 1 14 {} {0.644999372317 0.725167441864 0.445458891293} Si7 39 1 8 {} {0.605607533748 0.582968149799 0.332744568093} O5 40 1 8 {} {0.627559724313 0.499932067843 0.466662952897} O6 41 1 6 {} {0.550779341399 0.580832436622 0.491430178755} C5 42 1 6 {} {0.59742461921 0.77561829588 0.490173460337} C6 43 1 8 {} {0.640678496796 0.714434287816 0.335006690763} O7 44 1 8 {} {0.692645495559 0.766523575685 0.461134858826} O8 45 1 14 {} {0.638185720287 0.42207204028 0.43876892342} Si8 46 1 7 {} {0.592851712231 0.369879302988 0.456894886096} N4 47 1 14 {} {0.573295696344 0.320677008524 0.368377783443} Si9 48 1 14 {} {0.568192512867 0.366584369503 0.563397690214} Si10 49 1 7 {} {0.603393803946 0.385336658413 0.650344662538} N5 50 1 7 {} {0.608343741367 0.257986300756 0.331118204835} N6 51 1 1 {} {0.643227288632 0.640070760652 0.563402001476} H22 52 1 1 {} {0.681427615181 0.619706058929 0.477866177022} H23 53 1 1 {} {0.617908149669 0.625331774709 0.310941982491} H24 54 1 1 {} {0.550956029288 0.570860473673 0.563567417425} H25 55 1 1 {} {0.528702253076 0.543888434101 0.459650147309} H26 56 1 1 {} {0.53635411351 0.630809262714 0.480603189318} H27 57 1 1 {} {0.59667842042 0.826056852522 0.460801574362} H28 58 1 1 {} {0.599489117626 0.781142737822 0.563104414009} H29 59 1 1 {} {0.56536257899 0.751450600808 0.474972989233} H30 60 1 1 {} {0.648730585715 0.75180979615 0.297053703001} H31 61 1 1 {} {0.692974752605 0.801574032366 0.505751225182} H32 62 1 1 {} {0.649733006407 0.417007015891 0.342040448592} H33 63 1 1 {} {0.677364110543 0.401687415062 0.49355624563} H34 64 1 1 {} {0.531524604769 0.288646130608 0.40127021939} H35 65 1 1 {} {0.565137976744 0.363531261386 0.288802212899} H36 66 1 1 {} {0.531008696523 0.415975508449 0.569574185544} H37 67 1 1 {} {0.550974867376 0.297183772203 0.575100120931} H38 68 1 1 {} {0.609976460796 0.433926902646 0.665305869256} H39 69 1 1 {} {0.630404625984 0.356226118246 0.663432607516} H40 70 1 1 {} {0.632964746646 0.26903452607 0.286871351225} H41 71 1 1 {} {0.617901044419 0.220207181881 0.372368609268} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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