#MD System 2.0 @Title neb0_image07 @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 {} {0.220261414199 0.526099243516 0.334371080153} C1 1 1 14 {} {0.273918236485 0.488816715652 0.29273623426} Si1 2 1 14 {} {0.17380200766 0.53455802853 0.253903568017} Si2 3 1 8 {} {0.286678022364 0.519863318154 0.19374943368} O1 4 1 8 {} {0.312103513624 0.511834887493 0.365094110853} O2 5 1 6 {} {0.272585217726 0.39548200653 0.286688453862} C2 6 1 6 {} {0.142452637027 0.454752154348 0.236132365968} C3 7 1 8 {} {0.198227338946 0.561565858145 0.160199384436} O3 8 1 8 {} {0.138287579596 0.59496724311 0.282395217203} O4 9 1 14 {} {0.363759445423 0.537549701595 0.367697943829} Si3 10 1 7 {} {0.396165234016 0.470953611379 0.406018110583} N1 11 1 14 {} {0.446381811484 0.470078578092 0.350096867485} Si4 12 1 14 {} {0.379034946931 0.41926960681 0.49360078198} Si5 13 1 7 {} {0.350744620555 0.458112146612 0.580056765613} N2 14 1 7 {} {0.45187514421 0.557712195415 0.329496682497} N3 15 1 1 {} {0.209061578077 0.497473874226 0.393091732429} H1 16 1 1 {} {0.228851862384 0.576681782685 0.358500669916} H2 17 1 1 {} {0.261672576155 0.542102037746 0.163591585215} H3 18 1 1 {} {0.267339601062 0.372210200241 0.35236533509} H4 19 1 1 {} {0.304321886139 0.376361024487 0.259999313443} H5 20 1 1 {} {0.245874762438 0.378539685669 0.241779613729} H6 21 1 1 {} {0.115979072387 0.461068725102 0.186197918397} H7 22 1 1 {} {0.126898758557 0.437453156115 0.298479071713} H8 23 1 1 {} {0.164699000814 0.4146779375 0.212875308468} H9 24 1 1 {} {0.179462383168 0.583770003984 0.116558505175} H10 25 1 1 {} {0.109952238893 0.581849068251 0.30810845646} H11 26 1 1 {} {0.379737681162 0.557432225494 0.278088209904} H12 27 1 1 {} {0.365564423284 0.596123408918 0.430229694817} H13 28 1 1 {} {0.478750205271 0.435039763064 0.410408022688} H14 29 1 1 {} {0.451924999622 0.437175437562 0.25988777043} H15 30 1 1 {} {0.347751563355 0.368813556979 0.456678388892} H16 31 1 1 {} {0.419561831207 0.386806105854 0.532535064872} H17 32 1 1 {} {0.319446906316 0.475410886126 0.568788543648} H18 33 1 1 {} {0.366605466925 0.489238480448 0.623199228082} H19 34 1 1 {} {0.485813164152 0.564926047902 0.319157691819} H20 35 1 1 {} {0.441601186925 0.584336034777 0.384310486691} H21 36 1 6 {} {0.649186595519 0.642257594105 0.47799317741} C4 37 1 14 {} {0.609047574699 0.578976767202 0.439779368564} Si6 38 1 14 {} {0.639496622753 0.727977890078 0.432138914223} Si7 39 1 8 {} {0.593502793514 0.587332640825 0.334206031721} O5 40 1 8 {} {0.625696836233 0.501822858341 0.454574694417} O6 41 1 6 {} {0.559704517165 0.582635643283 0.511908337381} C5 42 1 6 {} {0.590209011713 0.77637170826 0.477343161139} C6 43 1 8 {} {0.633397452832 0.716329528986 0.321976337508} O7 44 1 8 {} {0.685756675376 0.773278871975 0.445582880602} O8 45 1 14 {} {0.631630558593 0.422497881902 0.426180967281} Si8 46 1 7 {} {0.585413094686 0.372113331102 0.445238335847} N4 47 1 14 {} {0.565397432448 0.32196257081 0.355168653339} Si9 48 1 14 {} {0.560945717604 0.367171855475 0.551152281987} Si10 49 1 7 {} {0.596412315552 0.386197493424 0.636537541694} N5 50 1 7 {} {0.600087913949 0.25872217955 0.317150894673} N6 51 1 1 {} {0.640641512191 0.643030649113 0.549666641921} H22 52 1 1 {} {0.684545445291 0.629449409424 0.469645877952} H23 53 1 1 {} {0.606763131432 0.624473774117 0.301761500055} H24 54 1 1 {} {0.561301384695 0.587024785762 0.583390644059} H25 55 1 1 {} {0.549445889985 0.53258966469 0.492402065303} H26 56 1 1 {} {0.535591258621 0.621848156067 0.484092303728} H27 57 1 1 {} {0.589114739302 0.82695582072 0.447883513104} H28 58 1 1 {} {0.591871933302 0.782666107314 0.550298921817} H29 59 1 1 {} {0.557792367204 0.752865252825 0.462235324357} H30 60 1 1 {} {0.640648036239 0.753169760634 0.282485755457} H31 61 1 1 {} {0.685583402063 0.805553221088 0.493701901284} H32 62 1 1 {} {0.641935489587 0.417740503251 0.329513421716} H33 63 1 1 {} {0.670569055319 0.40138368491 0.481575207404} H34 64 1 1 {} {0.523902279712 0.289935300008 0.388955906999} H35 65 1 1 {} {0.557397618332 0.365029600831 0.276654844862} H36 66 1 1 {} {0.523896015685 0.417099496448 0.561547258205} H37 67 1 1 {} {0.543429970511 0.298037577849 0.562803556718} H38 68 1 1 {} {0.602116419957 0.435258258378 0.653828488427} H39 69 1 1 {} {0.623891162107 0.357392876031 0.652100579243} H40 70 1 1 {} {0.624702120488 0.270220965768 0.27346990175} H41 71 1 1 {} {0.609505173165 0.220824479291 0.357795209805} 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