#MD System 2.0 @Title Untitled @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 14 {} {0.474698777905 0.584004086978 0.457644080022} Si 1 1 8 {} {0.471213934165 0.738239394655 0.403287961178} O1 2 1 8 {} {0.560083205483 0.579612686903 0.597956150221} O2 3 1 8 {} {0.552926207444 0.488578737672 0.350137377677} O3 4 1 8 {} {0.321411934451 0.525463881995 0.477676383398} O4 5 1 6 {} {0.410911709457 0.77732634745 0.279327906967} C1 6 1 6 {} {0.519225142723 0.629118363301 0.725029413336} C2 7 1 6 {} {0.60136944197 0.356815190025 0.378124770826} C3 8 1 6 {} {0.208475244011 0.60061628736 0.522288098604} C4 9 1 1 {} {0.390760727622 0.885301143636 0.284422283394} H1 10 1 1 {} {0.315549190624 0.725014227305 0.260825272357} H2 11 1 1 {} {0.478915690371 0.756276259674 0.195304584508} H3 12 1 1 {} {0.431426043232 0.573963651131 0.763561738014} H4 13 1 1 {} {0.494643656628 0.736561597271 0.720379196963} H5 14 1 1 {} {0.603236402628 0.614085403567 0.794706911641} H6 15 1 1 {} {0.708885442151 0.361151613134 0.402832144134} H7 16 1 1 {} {0.587354472757 0.294092936354 0.2884697747} H8 17 1 1 {} {0.54751729869 0.309708070458 0.462059508423} H9 18 1 1 {} {0.234731513446 0.703140293363 0.553368547596} H10 19 1 1 {} {0.162310782564 0.548048230833 0.607516315607} H11 20 1 1 {} {0.134692431678 0.607913986935 0.440491860434} H12 21 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 3 0 0 0 5 1 0 0 6 2 0 0 7 3 0 0 8 4 0 0 9 5 0 0 10 5 0 0 11 5 0 0 12 6 0 0 13 6 0 0 14 6 0 0 15 7 0 0 16 7 0 0 17 7 0 0 18 8 0 0 19 8 0 0 20 8 0 0 4 0 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 0 3 {0 0 0} 0 3 1 5 {0 0 0} 0 4 2 6 {0 0 0} 0 5 3 7 {0 0 0} 0 6 4 8 {0 0 0} 0 7 5 9 {0 0 0} 0 8 5 10 {0 0 0} 0 9 5 11 {0 0 0} 0 10 6 12 {0 0 0} 0 11 6 13 {0 0 0} 0 12 6 14 {0 0 0} 0 13 7 15 {0 0 0} 0 14 7 16 {0 0 0} 0 15 7 17 {0 0 0} 0 16 8 18 {0 0 0} 0 17 8 19 {0 0 0} 0 18 8 20 {0 0 0} 0 19 0 4 {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