#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 {} {-0.923420184077 0.981352138905 0.641663855408} N1 1 1 14 {} {-3.9160911315 3.31550767455 3.77307887117} Si1 2 1 14 {} {-0.74792667167 1.06129761145 0.491476884114} Si2 3 1 14 {} {-0.566035797761 1.12078713167 0.836627353858} Si3 4 1 8 {} {-8.86018411722 13.4497324362 -0.610821660385} O 5 1 1 {} {-2.91036582373 1.62572163231 3.30685124439} H1 6 1 1 {} {-1.49339489366 1.6562896013 -0.824701181812} H2 7 1 1 {} {-0.658170984256 1.13514988704 0.398401856835} H3 8 1 1 {} {-1.15794340498 0.896295388781 0.812912888211} H4 9 1 1 {} {-0.886523495586 0.805642816131 0.0586069319931} H5 10 1 1 {} {-0.726030330594 0.744467785063 0.338658395094} H6 11 1 1 {} {-0.701864121002 0.551419530686 0.737423869647} H7 12 1 1 {} {-0.327404980068 0.758173274419 0.833322268823} H8 13 1 1 {} {-4.00551821238 3.31863418447 -0.464364938042} H10 14 1 7 {} {1.96128759041 -0.34460109163 -0.219061558258} N3 15 1 14 {} {4.19249118513 -1.99024684802 -0.183525796357} Si4 16 1 14 {} {1.79687105086 0.116505318017 0.585339050583} Si5 17 1 14 {} {2.02842247548 -0.240018328082 0.330591128328} Si6 18 1 7 {} {5.47813796899 -5.58870407458 0.435137396967} N4 19 1 1 {} {1.83031796092 -0.802546997766 0.635122808719} H11 20 1 1 {} {4.67012692479 -0.685363849914 -0.535792626869} H12 21 1 1 {} {1.78330285095 0.18319718788 0.3697153255} H13 22 1 1 {} {2.03084942241 -0.0936965773849 0.751967986967} H14 23 1 1 {} {1.81962039254 0.351701657875 0.778943149292} H15 24 1 1 {} {1.88703800224 -0.219821450779 0.688625942139} H16 25 1 1 {} {1.49673488686 -0.186390991834 0.739542639409} H17 26 1 1 {} {1.45791540084 -0.340594496399 0.736641535339} H18 27 1 1 {} {3.85398400258 -2.99181029928 -0.650376358654} H19 28 1 1 {} {6.55906214194 -4.7973257169 0.314404759834} 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