#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 {} {-0.923608236992 0.981430823086 0.641681625773} N1 1 1 14 {} {-3.91674672749 3.31592119677 3.77357389549} Si1 2 1 14 {} {-0.748067532764 1.06139010266 0.4914761943} Si2 3 1 14 {} {-0.566177105931 1.12091180366 0.836673786755} Si3 4 1 8 {} {-8.8616107162 13.4516904093 -0.610977785119} O 5 1 1 {} {-2.91085033504 1.62586846312 3.30726204703} H1 6 1 1 {} {-1.49368566825 1.65645843918 -0.82491940389} H2 7 1 1 {} {-0.658297580254 1.13523520436 0.398388317578} H3 8 1 1 {} {-1.15814074761 0.896371731653 0.812946927593} H4 9 1 1 {} {-0.886684028131 0.805705501683 0.0585589870948} H5 10 1 1 {} {-0.726204903999 0.744537625737 0.33864581282} H6 11 1 1 {} {-0.702012679271 0.551470180512 0.737457610179} H7 12 1 1 {} {-0.3275166204 0.758244223204 0.833353421228} H8 13 1 1 {} {-4.00618602303 3.31904668645 -0.464491704894} H10 14 1 7 {} {1.96147444188 -0.344729463681 -0.219180115032} N3 15 1 14 {} {4.19302783491 -1.99061802779 -0.18361834754} Si4 16 1 14 {} {1.79701625688 0.116434118572 0.585338367945} Si5 17 1 14 {} {2.02862946939 -0.240125142917 0.33054028961} Si6 18 1 7 {} {5.47888694685 -5.58962406171 0.435139708561} N4 19 1 1 {} {1.83048815937 -0.80275848217 0.635167765944} H11 20 1 1 {} {4.67072125066 -0.685525896778 -0.535927534601} H12 21 1 1 {} {1.78344119239 0.183134521579 0.36970066628} H13 22 1 1 {} {2.03102267397 -0.093784808351 0.751982540845} H14 23 1 1 {} {1.81977278319 0.351650942237 0.778963182168} H15 24 1 1 {} {1.88723784148 -0.219935578012 0.688627482843} H16 25 1 1 {} {1.49685336753 -0.186490937625 0.739539452308} H17 26 1 1 {} {1.45804051731 -0.340696185671 0.736655089202} H18 27 1 1 {} {3.85448261909 -2.99232320076 -0.65053319128} H19 28 1 1 {} {6.55998227431 -4.79813760761 0.314386927469} 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