#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 {} {-0.922567862261 0.980995514584 0.641583313879} N1 1 1 14 {} {-3.9131197404 3.3136334467 3.77083524721} Si1 2 1 14 {} {-0.747288239751 1.06087840883 0.49148001059} Si2 3 1 14 {} {-0.565395339537 1.12022207447 0.836416903671} Si3 4 1 8 {} {-8.85371826997 13.4408582148 -0.610114048293} O 5 1 1 {} {-2.90816984839 1.62505614354 3.30498934264} H1 6 1 1 {} {-1.49207700117 1.65552436878 -0.823712122761} H2 7 1 1 {} {-0.657597206763 1.13476319899 0.398463221502} H3 8 1 1 {} {-1.15704897893 0.895949376089 0.812758609785} H4 9 1 1 {} {-0.88579590575 0.805358703208 0.0588242350998} H5 10 1 1 {} {-0.72523910265 0.744151242615 0.338715422376} H6 11 1 1 {} {-0.701190802789 0.551189967898 0.737270945711} H7 12 1 1 {} {-0.326898986901 0.75785170962 0.833181075186} H8 13 1 1 {} {-4.00249146013 3.31676458073 -0.463790386175} H10 14 1 7 {} {1.960440714 -0.344019264439 -0.218524217346} N3 15 1 14 {} {4.19005889995 -1.98856453104 -0.183106321911} Si4 16 1 14 {} {1.79621292622 0.116828018889 0.58534214454} Si5 17 1 14 {} {2.02748430643 -0.239534205761 0.330821547246} Si6 18 1 7 {} {5.47474333845 -5.58453437 0.435126920008} N4 19 1 1 {} {1.82954656179 -0.801588476219 0.634919046797} H11 20 1 1 {} {4.66743323136 -0.684629396651 -0.535181177674} H12 21 1 1 {} {1.782675839 0.183481213552 0.36978176623} H13 22 1 1 {} {2.03006418555 -0.0932966836789 0.751902023684} H14 23 1 1 {} {1.81892970461 0.351931518947 0.778852353268} H15 24 1 1 {} {1.88613226067 -0.219304186101 0.688618959128} H16 25 1 1 {} {1.49619789088 -0.185938002428 0.739557084468} H17 26 1 1 {} {1.45734832905 -0.340133604927 0.736580104475} H18 27 1 1 {} {3.85172409756 -2.98948564976 -0.649665538145} H19 28 1 1 {} {6.5548917791 -4.79364594321 0.314485582371} 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