#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 {} {-0.922457885252 0.980949498543 0.641572921424} N1 1 1 14 {} {-3.91273633509 3.31339161085 3.77054574734} Si1 2 1 14 {} {-0.747205861439 1.06082431817 0.491480414006} Si2 3 1 14 {} {-0.565312699766 1.12014916386 0.836389748808} Si3 4 1 8 {} {-8.8528839671 13.439713154 -0.610022743507} O 5 1 1 {} {-2.90788649673 1.62497027402 3.30474909725} H1 6 1 1 {} {-1.49190695053 1.6554256291 -0.823584502238} H2 7 1 1 {} {-0.657523170957 1.13471330376 0.398471139524} H3 8 1 1 {} {-1.15693356911 0.89590472929 0.812738702891} H4 9 1 1 {} {-0.88570202319 0.805322043476 0.0588522742103} H5 10 1 1 {} {-0.725137008722 0.744110398429 0.338722780734} H6 11 1 1 {} {-0.70110392302 0.551160346893 0.73725121359} H7 12 1 1 {} {-0.32683369746 0.757810217388 0.833162856653} H8 13 1 1 {} {-4.00210091146 3.31652334154 -0.463716250451} H10 14 1 7 {} {1.96033143962 -0.343944189963 -0.218454883035} N3 15 1 14 {} {4.1897450567 -1.98834745788 -0.183052196176} Si4 16 1 14 {} {1.79612800691 0.116869657712 0.585342543761} Si5 17 1 14 {} {2.02736325236 -0.239471738365 0.330851278719} Si6 18 1 7 {} {5.47430532161 -5.5839963436 0.435125568143} N4 19 1 1 {} {1.82944702642 -0.80146479602 0.634892754936} H11 20 1 1 {} {4.66708565801 -0.684534628488 -0.535102281003} H12 21 1 1 {} {1.78259493423 0.183517862026 0.369790339227} H13 22 1 1 {} {2.02996286466 -0.0932450844911 0.751893512293} H14 23 1 1 {} {1.81884058359 0.35196117844 0.778840637652} H15 24 1 1 {} {1.88601539079 -0.219237442272 0.688618058094} H16 25 1 1 {} {1.49612860107 -0.185879552182 0.739558948347} H17 26 1 1 {} {1.4572751585 -0.34007413506 0.736572177912} H18 27 1 1 {} {3.85143249691 -2.98918569498 -0.64957381937} H19 28 1 1 {} {6.55435366777 -4.7931711337 0.314496011086} 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