#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 {} {0.369365833406 0.576199313551 0.411879956665} C1 1 1 14 {} {0.34638501743 0.54946364581 0.522174811024} Si1 2 1 14 {} {0.430540376585 0.585764704338 0.407608597639} Si2 3 1 8 {} {0.359597105202 0.606141512774 0.598508327275} O1 4 1 8 {} {0.291581782491 0.547863399083 0.515258680979} O2 5 1 6 {} {0.365307272949 0.46424269545 0.557061921045} C2 6 1 6 {} {0.45889348085 0.502115042379 0.39305461345} C3 7 1 8 {} {0.44403536432 0.621584113726 0.505341013891} O3 8 1 8 {} {0.443021045234 0.638452126271 0.325780108236} O4 9 1 14 {} {0.241087339211 0.552296566365 0.556570966307} Si3 10 1 7 {} {0.221428751445 0.474251840011 0.590729508485} N1 11 1 14 {} {0.198946010399 0.465875813165 0.698141578151} Si4 12 1 14 {} {0.22191397519 0.406525562973 0.515609837446} Si5 13 1 7 {} {0.215835883735 0.427746524395 0.405221650073} N2 14 1 7 {} {0.148481018925 0.504806839761 0.718425842949} N3 15 1 1 {} {0.35980267656 0.54036767306 0.359500290315} H1 16 1 1 {} {0.354172210162 0.624515797843 0.394716220359} H2 17 1 1 {} {0.38945242585 0.624554873535 0.588568940278} H3 18 1 1 {} {0.356682599818 0.425608971584 0.507694705457} H4 19 1 1 {} {0.349593073017 0.450384974781 0.620769080945} H5 20 1 1 {} {0.401611619924 0.462981879823 0.566976012362} H6 21 1 1 {} {0.494762748877 0.510874223545 0.390236546512} H7 22 1 1 {} {0.449979870609 0.478486206695 0.32849264434} H8 23 1 1 {} {0.452792897981 0.466800226712 0.448568822513} H9 24 1 1 {} {0.47487949068 0.634949096694 0.513116599438} H10 25 1 1 {} {0.474197336793 0.638138496523 0.308279740421} H11 26 1 1 {} {0.239335493147 0.596487408511 0.63688980726} H12 27 1 1 {} {0.212121613141 0.580390484541 0.484966386897} H13 28 1 1 {} {0.192257468147 0.392763258652 0.71251818414} H14 29 1 1 {} {0.230493396435 0.49508324813 0.76425056959} H15 30 1 1 {} {0.265206548315 0.36989076796 0.521485508671} H16 31 1 1 {} {0.184320923754 0.361897593871 0.54223342746} H17 32 1 1 {} {0.242854821751 0.442347268172 0.369185920707} H18 33 1 1 {} {0.187851729761 0.451142522104 0.38306292889} H19 34 1 1 {} {0.147717872272 0.554447069542 0.733338529435} H20 35 1 1 {} {0.120459427785 0.491089676061 0.684806341648} H21 36 1 6 {} {0.623116825767 0.617080299527 0.350882830934} C4 37 1 14 {} {0.580215135364 0.555202398737 0.388730536327} Si6 38 1 14 {} {0.615928854718 0.705193547573 0.387981647995} Si7 39 1 8 {} {0.532683190139 0.598300739547 0.383617665599} O5 40 1 8 {} {0.578958522518 0.490352543526 0.321548265571} O6 41 1 6 {} {0.589476120997 0.521982730755 0.503895209066} C5 42 1 6 {} {0.63356988801 0.722115871978 0.505158701309} C6 43 1 8 {} {0.56099103105 0.720930087986 0.376455154927} O7 44 1 8 {} {0.643193250398 0.754567590751 0.317990494584} O8 45 1 14 {} {0.572345052015 0.429372851692 0.248913268782} Si8 46 1 7 {} {0.584936849955 0.351217497971 0.29180900284} N4 47 1 14 {} {0.54112529867 0.294792217428 0.31520915068} Si9 48 1 14 {} {0.639339121428 0.325774526409 0.317002013027} Si10 49 1 7 {} {0.680452441198 0.372014108954 0.265835051547} N5 50 1 7 {} {0.517399725586 0.251804530409 0.228146802815} N6 51 1 1 {} {0.656528581424 0.59891601078 0.369382027775} H22 52 1 1 {} {0.620656786856 0.617308426754 0.277338200701} H23 53 1 1 {} {0.536653554029 0.647213398618 0.379456948412} H24 54 1 1 {} {0.621452169515 0.495022496819 0.507599448082} H25 55 1 1 {} {0.562870325308 0.486892330667 0.523258655229} H26 56 1 1 {} {0.589990167699 0.562722253954 0.553278894796} H27 57 1 1 {} {0.628315020859 0.774899564076 0.523274807195} H28 58 1 1 {} {0.669155204485 0.710678801962 0.514422267534} H29 59 1 1 {} {0.614599279323 0.691532528438 0.552892143204} H30 60 1 1 {} {0.550064821765 0.766451619707 0.373293987541} H31 61 1 1 {} {0.661090453183 0.790219490722 0.342966377406} H32 62 1 1 {} {0.524690843213 0.427335359296 0.22007563162} H33 63 1 1 {} {0.601561837982 0.445318062065 0.171353006183} H34 64 1 1 {} {0.561172609465 0.244107390739 0.376445351121} H35 65 1 1 {} {0.504358129761 0.332932965132 0.358548228454} H36 66 1 1 {} {0.648708127643 0.331911296313 0.414418313606} H37 67 1 1 {} {0.643254738534 0.25435590478 0.288837470353} H38 68 1 1 {} {0.693789207982 0.41280282877 0.296197058395} H39 69 1 1 {} {0.683446207883 0.374958664883 0.198370479371} H40 70 1 1 {} {0.49513715205 0.274834174136 0.187480459664} H41 71 1 1 {} {0.534729303562 0.216289738102 0.194461454607} 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