#MD System 2.0 @Title neb0_image08 @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 {} {0.223268723432 0.524892005564 0.341440433098} C1 1 1 14 {} {0.276106915836 0.487133661119 0.300279854912} Si1 2 1 14 {} {0.177561378826 0.534146356159 0.261275263081} Si2 3 1 8 {} {0.290619244212 0.518705966647 0.202590338266} O1 4 1 8 {} {0.311232315964 0.510688958545 0.38044730504} O2 5 1 6 {} {0.276889186119 0.394440452377 0.293951596976} C2 6 1 6 {} {0.146646437363 0.453927779779 0.243017538846} C3 7 1 8 {} {0.202497322799 0.560925178207 0.167381918714} O3 8 1 8 {} {0.141817584137 0.594548475737 0.288825176242} O4 9 1 14 {} {0.3638323792 0.536440044394 0.376930543985} Si3 10 1 7 {} {0.396432079389 0.46568047283 0.407020373412} N1 11 1 14 {} {0.447768775989 0.47294028115 0.344801309256} Si4 12 1 14 {} {0.381521821365 0.416357837748 0.50105398284} Si5 13 1 7 {} {0.355105305736 0.45950020341 0.585341018181} N2 14 1 7 {} {0.447509444734 0.559578362351 0.325632579767} N3 15 1 1 {} {0.212904707718 0.496369841833 0.40087372599} H1 16 1 1 {} {0.233057901716 0.575227550989 0.365133908847} H2 17 1 1 {} {0.266291053538 0.541306811836 0.171206447063} H3 18 1 1 {} {0.271851325119 0.371626351873 0.359746243032} H4 19 1 1 {} {0.308803331881 0.376090890191 0.267565971553} H5 20 1 1 {} {0.250594279333 0.376882376178 0.249183914688} H6 21 1 1 {} {0.120104198358 0.45969830282 0.19288313176} H7 22 1 1 {} {0.131343105354 0.436567747387 0.305781630447} H8 23 1 1 {} {0.169295662712 0.414048027208 0.220020500521} H9 24 1 1 {} {0.184210630317 0.583065047837 0.123819588551} H10 25 1 1 {} {0.114145972356 0.581205113603 0.31586270172} H11 26 1 1 {} {0.367570150017 0.553483081876 0.281939039102} H12 27 1 1 {} {0.370174036716 0.590820603148 0.435097381536} H13 28 1 1 {} {0.480355427919 0.445814855035 0.399277337524} H14 29 1 1 {} {0.448787184932 0.432917816684 0.270328253574} H15 30 1 1 {} {0.350730041271 0.363907741523 0.468475435502} H16 31 1 1 {} {0.423926414282 0.387391084321 0.536423138441} H17 32 1 1 {} {0.322932849996 0.473698204542 0.575715741104} H18 33 1 1 {} {0.37294645071 0.486984953394 0.629225269133} H19 34 1 1 {} {0.480519872216 0.576654031206 0.319498309685} H20 35 1 1 {} {0.441916084256 0.569871418665 0.342546543839} H21 36 1 6 {} {0.648985370807 0.651993926787 0.472225081613} C4 37 1 14 {} {0.609840775464 0.578142320037 0.440545303732} Si6 38 1 14 {} {0.636447032978 0.733883499352 0.422735576022} Si7 39 1 8 {} {0.589425340721 0.589878233015 0.340082255843} O5 40 1 8 {} {0.62749717042 0.500107951921 0.442899181909} O6 41 1 6 {} {0.560811526152 0.581375631769 0.517262149761} C5 42 1 6 {} {0.587689407028 0.77513494301 0.469836182942} C6 43 1 8 {} {0.631943492252 0.716538923819 0.315666384133} O7 44 1 8 {} {0.679946834971 0.77760531952 0.436121773336} O8 45 1 14 {} {0.629236686944 0.420226223065 0.419975480541} Si8 46 1 7 {} {0.580428966512 0.373787157375 0.436179703986} N4 47 1 14 {} {0.562023386441 0.324874901079 0.351611118315} Si9 48 1 14 {} {0.557461331345 0.369422377999 0.54618980527} Si10 49 1 7 {} {0.593342424023 0.386461902149 0.631404262144} N5 50 1 7 {} {0.595342157054 0.26104072013 0.311062427805} N6 51 1 1 {} {0.644397527069 0.648147250643 0.545238520349} H22 52 1 1 {} {0.683500359604 0.634072322532 0.461259530541} H23 53 1 1 {} {0.600258002546 0.624835128853 0.30239683084} H24 54 1 1 {} {0.566258743512 0.593540974386 0.576106754584} H25 55 1 1 {} {0.554285559916 0.536856909401 0.519293466124} H26 56 1 1 {} {0.537511245907 0.609875889618 0.497854365841} H27 57 1 1 {} {0.586445460104 0.824676254223 0.439669864002} H28 58 1 1 {} {0.588146050396 0.782178037881 0.542213879725} H29 59 1 1 {} {0.556366378167 0.750542456837 0.453585302574} H30 60 1 1 {} {0.635909375236 0.754733371636 0.27614871096} H31 61 1 1 {} {0.682193378198 0.810011408884 0.486156698415} H32 62 1 1 {} {0.637786057916 0.417092600607 0.321359005935} H33 63 1 1 {} {0.666993062347 0.397014047664 0.472504336678} H34 64 1 1 {} {0.519981036992 0.29174787505 0.382486915209} H35 65 1 1 {} {0.552509047565 0.366561236353 0.269247874683} H36 66 1 1 {} {0.520752010462 0.417167484643 0.556390459459} H37 67 1 1 {} {0.539604698035 0.299061717708 0.554524996375} H38 68 1 1 {} {0.597904532839 0.434209628957 0.647770406252} H39 69 1 1 {} {0.620417699605 0.358265591408 0.644828037527} H40 70 1 1 {} {0.620061498077 0.271256101048 0.265921231113} H41 71 1 1 {} {0.604704655948 0.221444776835 0.350460716896} 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