#MD System 2.0 @Title neb1_max2_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 7 {} {-0.922274590238 0.98087280514 0.641555600665} N1 1 1 14 {} {-3.91209732626 3.3129885511 3.77006324756} Si1 2 1 14 {} {-0.747068564252 1.06073416706 0.491481086367} Si2 3 1 14 {} {-0.565174966815 1.12002764618 0.836344490703} Si3 4 1 8 {} {-8.85149346232 13.4378047193 -0.609870568864} O 5 1 1 {} {-2.90741424397 1.62482715815 3.30434868828} H1 6 1 1 {} {-1.49162353279 1.65526106296 -0.823371801367} H2 7 1 1 {} {-0.657399777948 1.13463014504 0.398484336227} H3 8 1 1 {} {-1.15674121943 0.895830317958 0.812705524735} H4 9 1 1 {} {-0.885545552258 0.805260943923 0.0588990060612} H5 10 1 1 {} {-0.724966852175 0.744042324784 0.338735044666} H6 11 1 1 {} {-0.700959123404 0.551110978551 0.737218326722} H7 12 1 1 {} {-0.326724881725 0.757741063668 0.83313249243} H8 13 1 1 {} {-4.00144999699 3.31612127622 -0.46359269091} H10 14 1 7 {} {1.96014931566 -0.343819065836 -0.218339325849} N3 15 1 14 {} {4.18922198462 -1.98798566928 -0.182961986618} Si4 16 1 14 {} {1.79598647473 0.116939055749 0.585343209128} Si5 17 1 14 {} {2.02716149557 -0.239367626037 0.330900831174} Si6 18 1 7 {} {5.47357529354 -5.58309963293 0.435123315033} N4 19 1 1 {} {1.82928113413 -0.801258662354 0.634848935168} H11 20 1 1 {} {4.6665063691 -0.68437668155 -0.534970786553} H12 21 1 1 {} {1.78246009295 0.183578942815 0.369804627556} H13 22 1 1 {} {2.02979399652 -0.0931590858446 0.751879326641} H14 23 1 1 {} {1.81869204855 0.352010610928 0.778821111625} H15 24 1 1 {} {1.88582060765 -0.219126202557 0.688616556371} H16 25 1 1 {} {1.49601311806 -0.185782135106 0.739562054811} H17 26 1 1 {} {1.45715320757 -0.339975018614 0.736558966974} H18 27 1 1 {} {3.85094649583 -2.98868577036 -0.649420954744} H19 28 1 1 {} {6.55345681555 -4.79237978452 0.314513392276} H20 29 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} {15 12 12 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{15 0 0} {0 12 0} {0 0 12}} {{0.0666666666667 0 0} {0 0.0833333333333 0} {0 0 0.0833333333333}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 27 18 0 0 2 0 0 0 15 14 0 0 10 3 0 0 6 1 0 0 26 17 0 0 7 2 0 0 8 2 0 0 21 16 0 0 28 18 0 0 9 2 0 0 20 15 0 0 19 15 0 0 1 0 0 0 4 1 0 0 5 1 0 0 25 17 0 0 18 15 0 0 13 4 0 0 3 0 0 0 16 14 0 0 17 14 0 0 12 3 0 0 24 17 0 0 23 16 0 0 11 3 0 0 22 16 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 27 18 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 15 {0 0 0} 0 3 3 10 {0 0 0} 0 4 1 6 {0 0 0} 0 5 26 17 {0 0 0} 0 6 7 2 {0 0 0} 0 7 8 2 {0 0 0} 0 8 16 21 {0 0 0} 0 9 28 18 {0 0 0} 0 10 9 2 {0 0 0} 0 11 15 20 {0 0 0} 0 12 15 19 {0 0 0} 0 13 0 1 {0 0 0} 0 14 4 1 {0 0 0} 0 15 1 5 {0 0 0} 0 16 17 25 {0 0 0} 0 17 15 18 {0 0 0} 0 18 4 13 {0 0 0} 0 19 3 0 {0 0 0} 0 20 16 14 {0 0 0} 0 21 14 17 {0 0 0} 0 22 3 12 {0 0 0} 0 23 17 24 {0 0 0} 0 24 16 23 {0 0 0} 0 25 11 3 {0 0 0} 0 26 22 16 {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