#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 {} {0.462563655433 0.259338317542 0.479491780811} O1 1 1 14 {} {0.327244723207 0.249679580517 0.571061411871} Si1 2 1 14 {} {0.596090380577 0.338437033758 0.425871520929} Si2 3 1 8 {} {0.555468871875 0.477713861043 0.349039563312} O2 4 1 8 {} {0.321770053564 0.37072680003 0.681903992995} O3 5 1 14 {} {0.253529932596 0.511868434089 0.73352217635} Si3 6 1 14 {} {0.540483269218 0.641329852788 0.358685680867} Si4 7 1 1 {} {0.331413483341 0.120179348522 0.644581069776} H1 8 1 1 {} {0.208668530458 0.25898575799 0.480794478505} H2 9 1 1 {} {0.663722286009 0.250752127007 0.326975108039} H3 10 1 1 {} {0.683136811497 0.37135409096 0.54247454676} H4 11 1 1 {} {0.106627946808 0.493896227585 0.748465955797} H5 12 1 1 {} {0.321591531395 0.545547130787 0.861712807062} H6 13 1 1 {} {0.406366295394 0.680468546724 0.306909498413} H7 14 1 1 {} {0.648837885371 0.706617709639 0.279666046631} H8 15 1 1 {} {0.552697958902 0.686206119023 0.501588130422} H10 16 1 8 {} {0.270926759013 0.634620443982 0.624275727763} O 17 1 1 {} {0.35894552186 0.674796357718 0.614038386416} 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