#MD System 2.0 @Title neb0_image03 @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 {} {0.462639221716 0.251368618583 0.490484983745} O1 1 1 14 {} {0.326459046868 0.234625347828 0.580942215933} Si1 2 1 14 {} {0.582751151769 0.346260792736 0.431846672702} Si2 3 1 8 {} {0.524929081653 0.489501954088 0.37991360917} O2 4 1 8 {} {0.313765067259 0.352023040488 0.695144313885} O3 5 1 14 {} {0.265941388429 0.507523282576 0.722322129215} Si3 6 1 14 {} {0.550527094258 0.652279801499 0.371870347945} Si4 7 1 1 {} {0.334730377686 0.103242061473 0.651143844233} H1 8 1 1 {} {0.207906937064 0.239712419292 0.489503092811} H2 9 1 1 {} {0.644477544212 0.272608327153 0.317987261982} H3 10 1 1 {} {0.682346190532 0.371650113607 0.540086165553} H4 11 1 1 {} {0.116982023918 0.517851396582 0.724575807761} H5 12 1 1 {} {0.324885270405 0.545347054132 0.852632579454} H6 13 1 1 {} {0.420639509492 0.714703162518 0.337447134855} H7 14 1 1 {} {0.6497326825 0.678855826103 0.264850149871} H8 15 1 1 {} {0.604374810099 0.708493877638 0.498566108501} H10 16 1 8 {} {0.325331020449 0.604513789015 0.602274910608} O 17 1 1 {} {0.271667760812 0.681957166396 0.579466519661} 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