#MD System 2.0 @Title neb0_image04 @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 8 {} {0.466399387095 0.236899419573 0.489752001229} O1 1 1 14 {} {0.327740384698 0.228423066054 0.576347720575} Si1 2 1 14 {} {0.584957942089 0.34069368555 0.44100067806} Si2 3 1 8 {} {0.522699063971 0.487660389155 0.40533107631} O2 4 1 8 {} {0.318300156032 0.355308102506 0.680366539497} O3 5 1 14 {} {0.277657104179 0.512224284812 0.701213886284} Si3 6 1 14 {} {0.530611617898 0.652641025279 0.401495673454} Si4 7 1 1 {} {0.330765640875 0.103040182354 0.655515754837} H1 8 1 1 {} {0.210411077302 0.231166500076 0.484893028607} H2 9 1 1 {} {0.644840036197 0.2806644982 0.318460797088} H3 10 1 1 {} {0.685277405064 0.353431850446 0.55139235957} H4 11 1 1 {} {0.130167734537 0.529349766185 0.697333977456} H5 12 1 1 {} {0.340837982524 0.558619212182 0.826646132051} H6 13 1 1 {} {0.406497139266 0.735558418393 0.39587673495} H7 14 1 1 {} {0.594029007542 0.684272119593 0.269614420087} H8 15 1 1 {} {0.612061448085 0.70235046832 0.517464416731} H10 16 1 8 {} {0.339531111127 0.602907437893 0.576527533816} O 17 1 1 {} {0.287301839109 0.677307500633 0.541825267349} H14 18 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} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 14 6 0 0 16 5 0 2 15 6 0 0 4 1 0 0 3 2 0 0 7 1 0 0 8 1 0 0 6 3 0 0 5 4 0 0 10 2 0 0 9 2 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 0 1 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 6 {0 0 0} 0 3 16 5 {0 0 0} 0 4 15 6 {0 0 0} 0 5 4 1 {0 0 0} 0 6 3 2 {0 0 0} 0 7 7 1 {0 0 0} 0 8 8 1 {0 0 0} 0 9 6 3 {0 0 0} 0 10 5 4 {0 0 0} 0 11 10 2 {0 0 0} 0 12 9 2 {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