#MD System 2.0 @Title neb0_image05 @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 {} {0.474182252256 0.245764740218 0.489154447803} O1 1 1 14 {} {0.327263895034 0.227857843358 0.561025263254} Si1 2 1 14 {} {0.602936778481 0.343678899895 0.468328367789} Si2 3 1 8 {} {0.561107077052 0.499895028599 0.50227692241} O2 4 1 8 {} {0.278267070979 0.364005776442 0.637012454396} O3 5 1 14 {} {0.241480794715 0.523071245947 0.662310580933} Si3 6 1 14 {} {0.567737945439 0.654399453043 0.444829039577} Si4 7 1 1 {} {0.33887779518 0.119347666292 0.661433988512} H1 8 1 1 {} {0.226910808015 0.189558460347 0.457549407965} H2 9 1 1 {} {0.645230827419 0.338529179228 0.326202736565} H3 10 1 1 {} {0.710659097278 0.30520387079 0.562690248492} H4 11 1 1 {} {0.13386476636 0.521792843076 0.76981215769} H5 12 1 1 {} {0.367358041036 0.596734126135 0.699986707299} H6 13 1 1 {} {0.481872536558 0.729947942975 0.543297234244} H7 14 1 1 {} {0.507253353406 0.663232854809 0.306605565213} H8 15 1 1 {} {0.708486193027 0.706026826307 0.435469582818} H10 16 1 8 {} {0.180243638003 0.597905476977 0.526792127754} O 17 1 1 {} {0.256353135534 0.645565763811 0.476281345088} 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