#MD System 2.0 @Title neb0_image01 @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 {} {0.358174293068 0.546626605706 0.413972018587} C1 1 1 14 {} {0.334759577066 0.520108372096 0.52471814534} Si1 2 1 14 {} {0.419849816628 0.557435763511 0.409693844552} Si2 3 1 8 {} {0.347960246795 0.5768733438 0.600689212478} O1 4 1 8 {} {0.279803137017 0.518588145053 0.517567311} O2 5 1 6 {} {0.353674214349 0.434810451867 0.55945799777} C2 6 1 6 {} {0.451033631973 0.477190595397 0.395089403288} C3 7 1 8 {} {0.432812761457 0.592148596616 0.508747166908} O3 8 1 8 {} {0.43305285929 0.608905778911 0.326775435005} O4 9 1 14 {} {0.229350125209 0.522878991191 0.558929435209} Si3 10 1 7 {} {0.209749067409 0.444709453289 0.593104822144} N1 11 1 14 {} {0.18732469505 0.43644364082 0.700601221569} Si4 12 1 14 {} {0.210304229534 0.377003552066 0.518045399894} Si5 13 1 7 {} {0.204225755084 0.398165217102 0.407601174626} N2 14 1 7 {} {0.13690463393 0.475522349007 0.720750002181} N3 15 1 1 {} {0.348129156631 0.510837763095 0.361728233306} H1 16 1 1 {} {0.342523273273 0.59495564828 0.396978760927} H2 17 1 1 {} {0.377845418587 0.595133512964 0.591206714371} H3 18 1 1 {} {0.34498483529 0.396223544365 0.510075637711} H4 19 1 1 {} {0.337950156176 0.420936179725 0.623151874397} H5 20 1 1 {} {0.390022085747 0.43357309245 0.569436035547} H6 21 1 1 {} {0.487145286571 0.486663695908 0.392064986632} H7 22 1 1 {} {0.441466458707 0.452850379945 0.332100754981} H8 23 1 1 {} {0.444841404058 0.441665028811 0.449637659774} H9 24 1 1 {} {0.463430899788 0.607144667776 0.514929392204} H10 25 1 1 {} {0.464966146366 0.612068088098 0.315456279043} H11 26 1 1 {} {0.227725762865 0.567034469349 0.639184171821} H12 27 1 1 {} {0.200508614673 0.550948217388 0.487269035188} H13 28 1 1 {} {0.18062947357 0.363376823723 0.714856089033} H14 29 1 1 {} {0.218866226492 0.465602303577 0.766621443022} H15 30 1 1 {} {0.253560862788 0.3404482399 0.523881306382} H16 31 1 1 {} {0.172700565419 0.332432824751 0.54470384404} H17 32 1 1 {} {0.231235344736 0.412851175802 0.371592710769} H18 33 1 1 {} {0.1762463106 0.421619795517 0.385501026854} H19 34 1 1 {} {0.136099609625 0.525129320864 0.73577067248} H20 35 1 1 {} {0.108850523829 0.461696289727 0.687323384282} H21 36 1 6 {} {0.632666871595 0.645996784974 0.348990309688} C4 37 1 14 {} {0.589538215899 0.583505324619 0.38637343814} Si6 38 1 14 {} {0.627023857708 0.734470062266 0.385499725491} Si7 39 1 8 {} {0.53922256355 0.618862046097 0.380616375881} O5 40 1 8 {} {0.590386984728 0.518904913487 0.319257230049} O6 41 1 6 {} {0.600595962666 0.551611673737 0.501296092486} C5 42 1 6 {} {0.64522034416 0.751509154684 0.502663919253} C6 43 1 8 {} {0.572193296481 0.749302446361 0.373993065113} O7 44 1 8 {} {0.654795374403 0.783839500899 0.315594981595} O8 45 1 14 {} {0.584010492728 0.458634400092 0.246282288296} Si8 46 1 7 {} {0.596547116627 0.380561209818 0.289211035858} N4 47 1 14 {} {0.552930298821 0.324222514101 0.312742861303} Si9 48 1 14 {} {0.651087249656 0.355221319593 0.314560575507} Si10 49 1 7 {} {0.692151128039 0.401436765629 0.263435816484} N5 50 1 7 {} {0.529001150031 0.281137481635 0.225851165474} N6 51 1 1 {} {0.666072487458 0.627605489135 0.3676882141} H22 52 1 1 {} {0.631897083668 0.646798738967 0.275334564453} H23 53 1 1 {} {0.541310713144 0.667942883208 0.375895613823} H24 54 1 1 {} {0.632710682926 0.525024284638 0.504109477659} H25 55 1 1 {} {0.574486161237 0.516084403283 0.521621104455} H26 56 1 1 {} {0.601484621323 0.592170418477 0.550846276894} H27 57 1 1 {} {0.639962867987 0.804289481146 0.520835301783} H28 58 1 1 {} {0.680813173888 0.740095706249 0.512025844501} H29 59 1 1 {} {0.626223541829 0.720950519461 0.550390904113} H30 60 1 1 {} {0.56180375257 0.795174912829 0.37105238379} H31 61 1 1 {} {0.672736588581 0.81950406687 0.340634239036} H32 62 1 1 {} {0.536344640968 0.45664875599 0.217563536886} H33 63 1 1 {} {0.613186794895 0.474718170944 0.168685106115} H34 64 1 1 {} {0.572840585799 0.273427233939 0.373949873784} H35 65 1 1 {} {0.516100730273 0.361997916571 0.356107968977} H36 66 1 1 {} {0.660331758668 0.36133274066 0.412088402171} H37 67 1 1 {} {0.654896740865 0.283804710516 0.286469873603} H38 68 1 1 {} {0.705393080014 0.442230202559 0.29371637472} H39 69 1 1 {} {0.695085774734 0.404358420082 0.196090305782} H40 70 1 1 {} {0.506761108065 0.304327494471 0.184945130208} H41 71 1 1 {} {0.54640106142 0.245632178148 0.191919699391} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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