#MD System 2.0 @Title neb0_image01 @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 {} {0.462511031083 0.259812017305 0.479806597697} O1 1 1 14 {} {0.327315558838 0.249116238404 0.571710497542} Si1 2 1 14 {} {0.59552880601 0.338782226614 0.42617605805} Si2 3 1 8 {} {0.554868164283 0.477957911011 0.349474997286} O2 4 1 8 {} {0.321579658179 0.369521138395 0.683396462644} O3 5 1 14 {} {0.253875805016 0.511021848683 0.732985497413} Si3 6 1 14 {} {0.540380568625 0.641538756454 0.358567418516} Si4 7 1 1 {} {0.332059271122 0.119540378961 0.644138472549} H1 8 1 1 {} {0.20843402701 0.258178460155 0.482580758786} H2 9 1 1 {} {0.662574691266 0.251410007759 0.326866631476} H3 10 1 1 {} {0.682738331722 0.371854946448 0.54230015449} H4 11 1 1 {} {0.107091919462 0.494201858694 0.746764471341} H5 12 1 1 {} {0.320944186038 0.547225726426 0.860807796539} H6 13 1 1 {} {0.407184423606 0.681410559462 0.305467776402} H7 14 1 1 {} {0.649999002782 0.705824173585 0.280795483561} H8 15 1 1 {} {0.552370584844 0.68703124319 0.501085983796} H10 16 1 8 {} {0.27179756237 0.632517616705 0.622211652175} O 17 1 1 {} {0.358832307789 0.675572596284 0.615921182509} 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 12 5 0 0 1 0 0 0 2 0 0 0 16 5 0 0 4 1 0 0 3 2 0 0 17 16 0 0 11 5 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 12 5 {0 0 0} 0 1 0 1 {0 0 0} 0 2 0 2 {0 0 0} 0 3 16 5 {0 0 0} 0 4 4 1 {0 0 0} 0 5 3 2 {0 0 0} 0 6 16 17 {0 0 0} 0 7 5 11 {0 0 0} 0 8 7 1 {0 0 0} 0 9 8 1 {0 0 0} 0 10 6 3 {0 0 0} 0 11 5 4 {0 0 0} 0 12 10 2 {0 0 0} 0 13 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