#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 {} {0.464824286957 0.25339343082 0.476778642825} O1 1 1 14 {} {0.327478660825 0.251285126131 0.566162603325} Si1 2 1 14 {} {0.59793350302 0.335773911635 0.427211417881} Si2 3 1 8 {} {0.556469234505 0.476441633513 0.353639388583} O2 4 1 8 {} {0.325306764939 0.376913848204 0.670778281996} O3 5 1 14 {} {0.256670570285 0.513806977111 0.732438399372} Si3 6 1 14 {} {0.537490370747 0.639707043056 0.36328347279} Si4 7 1 1 {} {0.326010821238 0.124497904547 0.643994670809} H1 8 1 1 {} {0.210812800483 0.259787179983 0.473728500657} H2 9 1 1 {} {0.667148925378 0.251078281335 0.327251183199} H3 10 1 1 {} {0.684178870474 0.36645650178 0.544850772848} H4 11 1 1 {} {0.110891773971 0.493767130337 0.7505804124} H5 12 1 1 {} {0.327762279395 0.540289067996 0.86051019903} H6 13 1 1 {} {0.399204705749 0.675843936833 0.321577725365} H7 14 1 1 {} {0.637447571335 0.707244727422 0.276040843283} H8 15 1 1 {} {0.557950018373 0.685784329303 0.504665186469} H10 16 1 8 {} {0.267304782701 0.641876859504 0.628612446295} O 17 1 1 {} {0.355200015483 0.678569971504 0.608953765038} 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