#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 {} {-0.922624197733 0.981019086196 0.641588637391} N1 1 1 14 {} {-3.91331613889 3.31375732657 3.77098354285} Si1 2 1 14 {} {-0.747330437854 1.06090611665 0.491479803941} Si2 3 1 14 {} {-0.565437671571 1.12025942276 0.836430813688} Si3 4 1 8 {} {-8.85414563972 13.4414447696 -0.610160818962} O 5 1 1 {} {-2.90831499463 1.62510013 3.30511240779} H1 6 1 1 {} {-1.49216410923 1.65557494795 -0.823777496083} H2 7 1 1 {} {-0.657635131435 1.13478875771 0.398459165514} H3 8 1 1 {} {-1.15710809734 0.89597224631 0.812768807046} H4 9 1 1 {} {-0.885843996877 0.805377482072 0.0588098721293} H5 10 1 1 {} {-0.725291400033 0.744172164957 0.338711653073} H6 11 1 1 {} {-0.701235306753 0.55120514119 0.737281053445} H7 12 1 1 {} {-0.326932431268 0.757872963922 0.833190407589} H8 13 1 1 {} {-4.0026915178 3.31688815496 -0.463828362031} H10 14 1 7 {} {1.96049668955 -0.344057721169 -0.218559733689} N3 15 1 14 {} {4.19021966544 -1.98867572627 -0.183134047695} Si4 16 1 14 {} {1.79625642594 0.116806689498 0.585341940041} Si5 17 1 14 {} {2.0275463161 -0.239566204542 0.330806317366} Si6 18 1 7 {} {5.47496771158 -5.58480997279 0.435127612498} N4 19 1 1 {} {1.82959754856 -0.80165183112 0.634932514743} H11 20 1 1 {} {4.66761127501 -0.684677941427 -0.535221592313} H12 21 1 1 {} {1.78271728228 0.183462440455 0.369777374731} H13 22 1 1 {} {2.03011608694 -0.0933231152453 0.751906383625} H14 23 1 1 {} {1.81897535665 0.351916325939 0.778858354566} H15 24 1 1 {} {1.886192127 -0.219338375476 0.68861942068} H16 25 1 1 {} {1.49623338442 -0.185967943433 0.739556129701} H17 26 1 1 {} {1.4573858105 -0.340164068231 0.736584164839} H18 27 1 1 {} {3.85187346933 -2.98963930091 -0.649712520879} H19 28 1 1 {} {6.55516742541 -4.79388916329 0.314480240286} 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