#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 {} {0.213640843323 0.527212926193 0.32309335819} C1 1 1 14 {} {0.267506294472 0.489930205829 0.281794915821} Si1 2 1 14 {} {0.166972378172 0.535445500416 0.242410369136} Si2 3 1 8 {} {0.27997106592 0.521702511125 0.183004810546} O1 4 1 8 {} {0.306877629258 0.511071728843 0.35288573496} O2 5 1 6 {} {0.265479351662 0.396679084951 0.275108520007} C2 6 1 6 {} {0.135427330085 0.455755913187 0.224758824203} C3 7 1 8 {} {0.191191181358 0.561903092056 0.148215183338} O3 8 1 8 {} {0.13153563388 0.596055281086 0.270586682967} O4 9 1 14 {} {0.358565446814 0.539614150467 0.357755356885} Si3 10 1 7 {} {0.392489838254 0.475471823036 0.398533396615} N1 11 1 14 {} {0.445535909522 0.473576861013 0.352043308552} Si4 12 1 14 {} {0.37303511714 0.421838266211 0.482397449827} Si5 13 1 7 {} {0.343987780302 0.459792769674 0.568048169778} N2 14 1 7 {} {0.461484260568 0.556908980247 0.348383728553} N3 15 1 1 {} {0.202089316989 0.498738783448 0.381669825549} H1 16 1 1 {} {0.221692630192 0.578022275968 0.347046470099} H2 17 1 1 {} {0.254882471666 0.543197679183 0.152756722259} H3 18 1 1 {} {0.260207944106 0.373424645717 0.340726733351} H4 19 1 1 {} {0.297168025329 0.377482055525 0.248315891815} H5 20 1 1 {} {0.23871539579 0.379957781442 0.230214962079} H6 21 1 1 {} {0.108933248183 0.462289942448 0.174793390437} H7 22 1 1 {} {0.11980771163 0.438372492723 0.28703026549} H8 23 1 1 {} {0.157589232444 0.415612807836 0.201244884891} H9 24 1 1 {} {0.17245223748 0.58487319451 0.105194218673} H10 25 1 1 {} {0.103146290185 0.583356526996 0.296341502014} H11 26 1 1 {} {0.374835035426 0.559362039795 0.268254024366} H12 27 1 1 {} {0.357880276826 0.598126705101 0.419413039225} H13 28 1 1 {} {0.472205222548 0.426281213095 0.407829583179} H14 29 1 1 {} {0.448575792755 0.451227526636 0.257222651361} H15 30 1 1 {} {0.341607621769 0.37234754238 0.442643051479} H16 31 1 1 {} {0.412835816147 0.38795209208 0.52129911434} H17 32 1 1 {} {0.312451980648 0.476521093548 0.556695730443} H18 33 1 1 {} {0.359895322441 0.490778160951 0.611692190174} H19 34 1 1 {} {0.490271344339 0.566581667844 0.315160102993} H20 35 1 1 {} {0.463110282675 0.57946139431 0.409332584577} H21 36 1 6 {} {0.649602391167 0.639776520034 0.488956760614} C4 37 1 14 {} {0.609894106748 0.576233604138 0.444947546311} Si6 38 1 14 {} {0.644887190723 0.726065847511 0.44375222965} Si7 39 1 8 {} {0.60255350049 0.584392149039 0.33636826604} O5 40 1 8 {} {0.628540118028 0.500377597829 0.465754576663} O6 41 1 6 {} {0.555425425837 0.581658144451 0.502128991275} C5 42 1 6 {} {0.596877868795 0.775902544101 0.48880685591} C6 43 1 8 {} {0.640100497131 0.714763147208 0.333448947245} O7 44 1 8 {} {0.692275754876 0.768252475108 0.458809363133} O8 45 1 14 {} {0.63778586285 0.422126638116 0.437897573899} Si8 46 1 7 {} {0.592225697711 0.370313177299 0.455638405736} N4 47 1 14 {} {0.572562790526 0.320844162504 0.367012778508} Si9 48 1 14 {} {0.567158916429 0.366321711396 0.561650165871} Si10 49 1 7 {} {0.603609462054 0.385872032434 0.649286919651} N5 50 1 7 {} {0.606823352561 0.258127373347 0.328978704586} N6 51 1 1 {} {0.643977342874 0.640746337247 0.561725305661} H22 52 1 1 {} {0.683968358343 0.622552802358 0.477252318454} H23 53 1 1 {} {0.616053694467 0.624606912605 0.310704652317} H24 54 1 1 {} {0.555585250556 0.575797834904 0.574587336823} H25 55 1 1 {} {0.537764031486 0.539304883758 0.472659653164} H26 56 1 1 {} {0.537766199649 0.628555692991 0.484745276158} H27 57 1 1 {} {0.595970710172 0.826369660348 0.459367571258} H28 58 1 1 {} {0.598862574517 0.781621870687 0.561793692404} H29 59 1 1 {} {0.564707170918 0.751867907395 0.473762309778} H30 60 1 1 {} {0.648026198802 0.751842234772 0.294909413195} H31 61 1 1 {} {0.692471498806 0.802452350983 0.504423778106} H32 62 1 1 {} {0.648978169604 0.417316492225 0.34096693656} H33 63 1 1 {} {0.676978985206 0.401836330793 0.492713278905} H34 64 1 1 {} {0.530768596152 0.289084281485 0.400462422906} H35 65 1 1 {} {0.564390233325 0.363892221015 0.287841702323} H36 66 1 1 {} {0.530017840723 0.415645594709 0.569720544078} H37 67 1 1 {} {0.550398023472 0.296980245634 0.57381334255} H38 68 1 1 {} {0.608775443618 0.433584135772 0.663987444501} H39 69 1 1 {} {0.629308869235 0.356712111506 0.662215446897} H40 70 1 1 {} {0.631894634238 0.269095632261 0.28483240365} H41 71 1 1 {} {0.616637798719 0.219483560967 0.369988508272} 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