#MD System 2.0 @Title neb0_image04 @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 {} {0.27421732391 0.470960697344 0.521461510129} N1 1 1 14 {} {0.343045153907 0.585809539598 0.541608506888} Si1 2 1 14 {} {0.159114429455 0.481485471327 0.497263348477} Si2 3 1 14 {} {0.319223955209 0.335851878895 0.526306885632} Si3 4 1 8 {} {0.416229054508 0.605059249312 0.438707448563} O 5 1 1 {} {0.284387389837 0.685262875313 0.55507536108} H1 6 1 1 {} {0.402068797611 0.5666220348 0.639316042337} H2 7 1 1 {} {0.134801738536 0.601974942477 0.49452361926} H3 8 1 1 {} {0.107921473761 0.424232986046 0.587299111088} H4 9 1 1 {} {0.134690795935 0.428795423386 0.388597266218} H5 10 1 1 {} {0.381468633319 0.315113997749 0.431326797246} H6 11 1 1 {} {0.243314161494 0.255654302706 0.51849631311} H7 12 1 1 {} {0.368804212977 0.317975840413 0.63267381817} H8 13 1 1 {} {0.392872799872 0.626896319078 0.366465134903} H10 14 1 7 {} {0.759065598036 0.482403434979 0.549246913788} N3 15 1 14 {} {0.719536980717 0.465030399516 0.413004302959} Si4 16 1 14 {} {0.862237173392 0.54360402404 0.576466481735} Si5 17 1 14 {} {0.694588992585 0.431802880941 0.659787610698} Si6 18 1 7 {} {0.607024136545 0.439932195832 0.416196496678} N4 19 1 1 {} {0.744498825445 0.567825518341 0.349872197285} H11 20 1 1 {} {0.760599552075 0.365413284114 0.358475611556} H12 21 1 1 {} {0.906995899918 0.566301563618 0.467392131696} H13 22 1 1 {} {0.920605240585 0.468063919273 0.643410410945} H14 23 1 1 {} {0.853460641453 0.651033206039 0.638684602042} H15 24 1 1 {} {0.61126880087 0.497357085969 0.67804378886} H16 25 1 1 {} {0.751187785471 0.442686677458 0.762038093347} H17 26 1 1 {} {0.6703595881 0.312026671649 0.644780121494} H18 27 1 1 {} {0.581768030052 0.368364721607 0.38390848242} H19 28 1 1 {} {0.559076793554 0.499427206144 0.425992159639} 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