#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 {} {0.46737212236 0.242548199864 0.47333323971} O1 1 1 14 {} {0.328046989994 0.249453233359 0.56024285137} Si1 2 1 14 {} {0.598262546039 0.332019285646 0.430228240556} Si2 3 1 8 {} {0.552276681051 0.475594685039 0.365817360423} O2 4 1 8 {} {0.331624331986 0.37998852208 0.659813217145} O3 5 1 14 {} {0.262636897294 0.514860450767 0.724047871184} Si3 6 1 14 {} {0.5314232285 0.638508200356 0.372496303827} Si4 7 1 1 {} {0.320087767573 0.126009804567 0.642834625189} H1 8 1 1 {} {0.213391580692 0.259459470627 0.465597354731} H2 9 1 1 {} {0.67104830755 0.25582896639 0.3256760347} H3 10 1 1 {} {0.683149905151 0.356560420778 0.550390885301} H4 11 1 1 {} {0.118043572824 0.489619561165 0.747733073405} H5 12 1 1 {} {0.338637339105 0.546101170351 0.848286233675} H6 13 1 1 {} {0.389287194682 0.671642019886 0.342457554516} H7 14 1 1 {} {0.62120323363 0.703904700434 0.273163360151} H8 15 1 1 {} {0.564642912798 0.689652688889 0.509566840598} H10 16 1 8 {} {0.268947953803 0.644571672424 0.621066299404} O 17 1 1 {} {0.350003572963 0.696194895268 0.618306650864} 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