#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 {} {0.464774373267 0.244793074722 0.487905105183} O1 1 1 14 {} {0.32759050877 0.235091153808 0.577495068073} Si1 2 1 14 {} {0.585554608483 0.341860811947 0.4326627846} Si2 3 1 8 {} {0.526190800618 0.485235406712 0.3831102382} O2 4 1 8 {} {0.318061189191 0.35724707863 0.686621003285} O3 5 1 14 {} {0.268350466194 0.51051426523 0.717585507288} Si3 6 1 14 {} {0.542876525368 0.649327767261 0.376854275429} Si4 7 1 1 {} {0.332158443954 0.107553740055 0.653493221773} H1 8 1 1 {} {0.209692922533 0.23972819923 0.486869440465} H2 9 1 1 {} {0.648244793794 0.270767688593 0.317549018915} H3 10 1 1 {} {0.68245545928 0.36578233595 0.543582970156} H4 11 1 1 {} {0.119250692895 0.516154924997 0.723790501368} H5 12 1 1 {} {0.3290882478 0.550488694362 0.847517549674} H6 13 1 1 {} {0.411827209809 0.711664606658 0.346431922448} H7 14 1 1 {} {0.638099474851 0.680517147321 0.266541102882} H8 15 1 1 {} {0.59906739885 0.704033657029 0.503477817854} H10 16 1 8 {} {0.323568994611 0.606795162939 0.594618215635} O 17 1 1 {} {0.283234041681 0.694962292838 0.584952159537} 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