#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 {} {0.470007851995 0.228672137606 0.483325667667} O1 1 1 14 {} {0.332950391793 0.235917648033 0.571961681245} Si1 2 1 14 {} {0.591882537648 0.33031054703 0.436355153962} Si2 3 1 8 {} {0.53107933873 0.478484858973 0.396105196027} O2 4 1 8 {} {0.33287776773 0.376312120314 0.658463165486} O3 5 1 14 {} {0.278428581103 0.523816138445 0.697990096185} Si3 6 1 14 {} {0.512536869751 0.646080458184 0.40359177143} Si4 7 1 1 {} {0.330386766516 0.117815186146 0.662271010816} H1 8 1 1 {} {0.21600061221 0.233579760176 0.481507518041} H2 9 1 1 {} {0.661520020666 0.249510996583 0.328776997363} H3 10 1 1 {} {0.690539424961 0.332543690966 0.550270681941} H4 11 1 1 {} {0.131023322882 0.520646336671 0.705046468735} H5 12 1 1 {} {0.340310284201 0.560478392325 0.827128793436} H6 13 1 1 {} {0.390707661815 0.733286937567 0.401308564129} H7 14 1 1 {} {0.567967687376 0.688350703215 0.272407590444} H8 15 1 1 {} {0.585434560957 0.681522162925 0.526760272314} H10 16 1 8 {} {0.331350151922 0.622303783279 0.578112200304} O 17 1 1 {} {0.315082298615 0.712886105386 0.549675181744} 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