#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 {} {-0.923213060711 0.981265475361 0.641644282951} N1 1 1 14 {} {-3.91536905151 3.31505221703 3.77253364642} Si1 2 1 14 {} {-0.747771525849 1.06119574071 0.491477643881} Si2 3 1 14 {} {-0.565880159526 1.12064981669 0.8365762122} Si3 4 1 8 {} {-8.85861284682 13.447575905 -0.610649703038} O 5 1 1 {} {-2.90983217811 1.62555991138 3.30639878224} H1 6 1 1 {} {-1.49307463162 1.65610364157 -0.824460829827} H2 7 1 1 {} {-0.658031550156 1.13505591769 0.398416769109} H3 8 1 1 {} {-1.15772604983 0.896211303976 0.812875396894} H4 9 1 1 {} {-0.886346683432 0.805573773636 0.0586597389846} H5 10 1 1 {} {-0.725838053696 0.744390861844 0.338672253337} H6 11 1 1 {} {-0.701700497437 0.55136374446 0.737386707486} H7 12 1 1 {} {-0.327282018287 0.758095130715 0.833287957251} H8 13 1 1 {} {-4.00478267904 3.31817985066 -0.46422531576} H10 14 1 7 {} {1.96108179034 -0.344459701366 -0.218930978638} N3 15 1 14 {} {4.19190011367 -1.98983802691 -0.183423859556} Si4 16 1 14 {} {1.79671111949 0.116583737799 0.585339802448} Si5 17 1 14 {} {2.02819449031 -0.239900681152 0.330647122603} Si6 18 1 7 {} {5.47731303727 -5.58769079153 0.435134850953} N4 19 1 1 {} {1.83013050263 -0.802314066724 0.635073292381} H11 20 1 1 {} {4.66947232832 -0.685185369874 -0.535644038139} H12 21 1 1 {} {1.7831504803 0.183266209173 0.369731471312} H13 22 1 1 {} {2.03065860141 -0.0935993989144 0.75195195718} H14 23 1 1 {} {1.81945254794 0.351757516587 0.778921084882} H15 24 1 1 {} {1.8868178973 -0.2196957499 0.688624245192} H16 25 1 1 {} {1.49660439106 -0.186280910537 0.739546149714} H17 26 1 1 {} {1.4577775963 -0.340482494815 0.736626606978} H18 27 1 1 {} {3.85343482136 -2.99124538445 -0.650203621627} H19 28 1 1 {} {6.55804869893 -4.79643149232 0.31442440058} 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