#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 {} {-0.924408425045 0.981765633853 0.641757240837} N1 1 1 14 {} {-3.91953636822 3.31768078417 3.77568028424} Si1 2 1 14 {} {-0.748666913871 1.06178366402 0.49147325906} Si2 3 1 14 {} {-0.566778389401 1.12144229814 0.836871364386} Si3 4 1 8 {} {-8.86768106852 13.4600218234 -0.611642114873} O 5 1 1 {} {-2.91291198969 1.6264932461 3.30901006228} H1 6 1 1 {} {-1.49492294952 1.65717686492 -0.825847965404} H2 7 1 1 {} {-0.658836261638 1.13559823996 0.398330706388} H3 8 1 1 {} {-1.15898046451 0.89669657987 0.813091769307} H4 9 1 1 {} {-0.887367113655 0.805972236339 0.058354975715} H5 10 1 1 {} {-0.726947735093 0.744834806309 0.338592273713} H6 11 1 1 {} {-0.702644812791 0.551685701689 0.737601180254} H7 12 1 1 {} {-0.327991663604 0.758546118926 0.833485978507} H8 13 1 1 {} {-4.00902763865 3.32080193259 -0.465031113284} H10 14 1 7 {} {1.96226951761 -0.345275702388 -0.219684588541} N3 15 1 14 {} {4.19531134509 -1.9921974429 -0.184012164094} Si4 16 1 14 {} {1.79763412617 0.116131156267 0.585335463235} Si5 17 1 14 {} {2.02951025368 -0.240579653044 0.330323964671} Si6 18 1 7 {} {5.48207393883 -5.59353871898 0.435149544678} N4 19 1 1 {} {1.83121237452 -0.80365837406 0.63535906441} H11 20 1 1 {} {4.6732501796 -0.686215425914 -0.536501583431} H12 21 1 1 {} {1.78402985205 0.182867868838 0.369638289514} H13 22 1 1 {} {2.03175988044 -0.0941602418548 0.752044469368} H14 23 1 1 {} {1.82042122397 0.351435141023 0.779048424494} H15 24 1 1 {} {1.88808818177 -0.220421203286 0.688634038727} H16 25 1 1 {} {1.4973575172 -0.186916219137 0.739525890807} H17 26 1 1 {} {1.45857290316 -0.341128885904 0.736712762538} H18 27 1 1 {} {3.85660429304 -2.994505659 -0.651200533201} H19 28 1 1 {} {6.56389754957 -4.80159230147 0.314311048585} 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