#MD System 2.0 @Title neb0_image05 @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 {} {0.471212167693 0.224623789468 0.488484637052} O1 1 1 14 {} {0.332620432386 0.223775439058 0.575478031963} Si1 2 1 14 {} {0.589323733521 0.332502670049 0.444378537631} Si2 3 1 8 {} {0.530049675359 0.481079705637 0.419814016693} O2 4 1 8 {} {0.326942453808 0.357085155014 0.675399473912} O3 5 1 14 {} {0.288100433517 0.514964345086 0.683287666169} Si3 6 1 14 {} {0.502285104456 0.647119815188 0.428472370079} Si4 7 1 1 {} {0.326250691699 0.101522735598 0.661729207685} H1 8 1 1 {} {0.215002107148 0.232152702786 0.483618136461} H2 9 1 1 {} {0.650984648849 0.279439181265 0.319993026391} H3 10 1 1 {} {0.686489752043 0.333979016977 0.556989984784} H4 11 1 1 {} {0.141911323804 0.540976692726 0.67353287227} H5 12 1 1 {} {0.355953638512 0.573889289725 0.801470992991} H6 13 1 1 {} {0.399029929669 0.771456042687 0.435367385063} H7 14 1 1 {} {0.53318701202 0.674660168927 0.284927543395} H8 15 1 1 {} {0.598090159386 0.695855625247 0.529423047161} H10 16 1 8 {} {0.344695654617 0.596044053211 0.544408090228} O 17 1 1 {} {0.317957181962 0.691391509491 0.524282967465} 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