#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 {} {-0.922487973719 0.980962088011 0.641575764682} N1 1 1 14 {} {-3.91284123045 3.31345777441 3.77062495123} Si1 2 1 14 {} {-0.747228399214 1.06083911676 0.491480303636} Si2 3 1 14 {} {-0.565335309073 1.12016911138 0.836397178072} Si3 4 1 8 {} {-8.85311222294 13.4400264297 -0.610047723464} O 5 1 1 {} {-2.90796401854 1.62499376695 3.30481482568} H1 6 1 1 {} {-1.49195347446 1.65545264316 -0.82361941777} H2 7 1 1 {} {-0.657543426317 1.13472695453 0.398468973243} H3 8 1 1 {} {-1.15696514393 0.895916944149 0.812744149192} H4 9 1 1 {} {-0.885727708397 0.805332073164 0.0588446030266} H5 10 1 1 {} {-0.725164940467 0.744121572936 0.338720767571} H6 11 1 1 {} {-0.701127692343 0.551168450865 0.737256612075} H7 12 1 1 {} {-0.326851559913 0.757821569194 0.833167841038} H8 13 1 1 {} {-4.00220776116 3.31658934186 -0.463736533147} H10 14 1 7 {} {1.96036133586 -0.343964729491 -0.218473852118} N3 15 1 14 {} {4.18983092066 -1.98840684664 -0.183067004365} Si4 16 1 14 {} {1.79615123987 0.116858265801 0.585342434538} Si5 17 1 14 {} {2.02739637138 -0.239488828738 0.330843144524} Si6 18 1 7 {} {5.47442515807 -5.58414354154 0.435125937998} N4 19 1 1 {} {1.82947425817 -0.801498633524 0.634899948092} H11 20 1 1 {} {4.66718075015 -0.684560555987 -0.535123866241} H12 21 1 1 {} {1.78261706886 0.183507835417 0.369787993752} H13 22 1 1 {} {2.02999058491 -0.0932592014456 0.751895840913} H14 23 1 1 {} {1.81886496609 0.351953063938 0.778843842912} H15 24 1 1 {} {1.88604736507 -0.219255702629 0.688618304607} H16 25 1 1 {} {1.49614755798 -0.185895543509 0.739558438411} H17 26 1 1 {} {1.45729517713 -0.340090405343 0.73657434653} H18 27 1 1 {} {3.85151227555 -2.98926775922 -0.64959891259} H19 28 1 1 {} {6.55450088895 -4.79330103621 0.314493157907} 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