#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 {} {0.469946299394 0.230015439184 0.48267005954} O1 1 1 14 {} {0.33322873058 0.234677749538 0.570628928166} Si1 2 1 14 {} {0.589785290863 0.33151959092 0.437695573853} Si2 3 1 8 {} {0.524137164108 0.476493592257 0.399546376217} O2 4 1 8 {} {0.333354249168 0.373401785724 0.659641417791} O3 5 1 14 {} {0.278834357119 0.521259778226 0.697704035405} Si3 6 1 14 {} {0.520806443661 0.642103224263 0.403019846038} Si4 7 1 1 {} {0.331006616019 0.120028944967 0.663551802327} H1 8 1 1 {} {0.214810398732 0.233183262898 0.481884659235} H2 9 1 1 {} {0.656304012033 0.260350676647 0.327613188498} H3 10 1 1 {} {0.687299864838 0.338607740632 0.547860745822} H4 11 1 1 {} {0.128058505198 0.524979700551 0.703872800762} H5 12 1 1 {} {0.340355993947 0.564028948181 0.828559305707} H6 13 1 1 {} {0.39345702218 0.72637205595 0.403183177412} H7 14 1 1 {} {0.571264951659 0.687489177138 0.272330560179} H8 15 1 1 {} {0.590719705572 0.687406923249 0.526805383902} H10 16 1 8 {} {0.334404755315 0.615549800689 0.577472792795} O 17 1 1 {} {0.312311769036 0.705049574727 0.547017360017} 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