#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 {} {0.467285540458 0.235041848936 0.483710240794} O1 1 1 14 {} {0.329650228412 0.236626944591 0.573374784071} Si1 2 1 14 {} {0.587975513794 0.335338183072 0.43407491702} Si2 3 1 8 {} {0.526200355062 0.479287056955 0.386779697793} O2 4 1 8 {} {0.325830657546 0.366834849675 0.673575033347} O3 5 1 14 {} {0.270855116051 0.516434941953 0.710941121723} Si3 6 1 14 {} {0.533261190646 0.644153170483 0.384159794134} Si4 7 1 1 {} {0.328781245403 0.114165572532 0.658055235421} H1 8 1 1 {} {0.213262532122 0.238958545819 0.480318769107} H2 9 1 1 {} {0.6551266514 0.270888546066 0.318294655387} H3 10 1 1 {} {0.682587216801 0.354224395552 0.547760970295} H4 11 1 1 {} {0.122307547111 0.514066957841 0.722587232354} H5 12 1 1 {} {0.335486925894 0.558117891161 0.838153801506} H6 13 1 1 {} {0.398044743866 0.701420356354 0.362239164184} H7 14 1 1 {} {0.619644643006 0.686656666961 0.269280309258} H8 15 1 1 {} {0.593651919354 0.695570587056 0.511477515295} H10 16 1 8 {} {0.317955832631 0.614690488903 0.58652377913} O 17 1 1 {} {0.302178252752 0.710040951865 0.589750984403} 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