#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 {} {0.467480526136 0.233321855826 0.488710118502} O1 1 1 14 {} {0.329209107182 0.228899886977 0.57749228924} Si1 2 1 14 {} {0.583503660813 0.339968878224 0.440249274608} Si2 3 1 8 {} {0.517490554026 0.484739119422 0.402875524249} O2 4 1 8 {} {0.322875609991 0.357402401158 0.680754183737} O3 5 1 14 {} {0.279015388275 0.513902863698 0.700845453393} Si3 6 1 14 {} {0.526415407572 0.650345769101 0.401343039889} Si4 7 1 1 {} {0.329385762109 0.104088191364 0.65866608582} H1 8 1 1 {} {0.212543989195 0.233491655726 0.485154671481} H2 9 1 1 {} {0.64644168063 0.283168517994 0.318424815001} H3 10 1 1 {} {0.682861740645 0.350531186051 0.551229787595} H4 11 1 1 {} {0.13073411196 0.53177286524 0.693889354308} H5 12 1 1 {} {0.341253807659 0.560575475723 0.827431350414} H6 13 1 1 {} {0.403117274805 0.733185097462 0.393320021759} H7 14 1 1 {} {0.593271873987 0.682074242967 0.27084504823} H8 15 1 1 {} {0.605033315767 0.699705532879 0.518937078058} H10 16 1 8 {} {0.342765431008 0.603987673933 0.578366223694} O 17 1 1 {} {0.296686861291 0.681356732808 0.542523664896} 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