#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 {} {0.468162262501 0.262559697176 0.491718252905} O1 1 1 14 {} {0.326467549174 0.230305661991 0.566959676652} Si1 2 1 14 {} {0.600050846299 0.348389799892 0.447961641587} Si2 3 1 8 {} {0.561008372645 0.5049818898 0.428405190304} O2 4 1 8 {} {0.28159709508 0.349171859003 0.671112057708} O3 5 1 14 {} {0.238175852179 0.503922160154 0.699849027958} Si3 6 1 14 {} {0.583964064779 0.664990116017 0.401269364638} Si4 7 1 1 {} {0.344115164142 0.106214454041 0.648348798276} H1 8 1 1 {} {0.219028675357 0.214210375935 0.464731227217} H2 9 1 1 {} {0.648231438203 0.292660496255 0.319952509878} H3 10 1 1 {} {0.700787328838 0.336556988184 0.555621323815} H4 11 1 1 {} {0.106651980546 0.504922124758 0.76987266206} H5 12 1 1 {} {0.342729939797 0.565260745412 0.786681451272} H6 13 1 1 {} {0.461828764231 0.74058735474 0.440995347712} H7 14 1 1 {} {0.612120152411 0.687879864995 0.256696745274} H8 15 1 1 {} {0.698976289115 0.715093470308 0.481867968419} H10 16 1 8 {} {0.22980605556 0.579023319729 0.551797670716} O 17 1 1 {} {0.186384111589 0.665787408763 0.547217371295} 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