#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 {} {-0.924022627712 0.981604210422 0.641720784294} N1 1 1 14 {} {-3.91819138944 3.31683242843 3.77466472401} Si1 2 1 14 {} {-0.74837793226 1.06159391497 0.491474674237} Si2 3 1 14 {} {-0.566488490597 1.12118652907 0.836776105624} Si3 4 1 8 {} {-8.86475434932 13.4560049709 -0.611321819354} O 5 1 1 {} {-2.91191799726 1.6261920174 3.30816728586} H1 6 1 1 {} {-1.49432641498 1.65683048792 -0.825400274946} H2 7 1 1 {} {-0.658576545386 1.1354232084 0.398358482663} H3 8 1 1 {} {-1.158575609 0.896539959716 0.813021936289} H4 9 1 1 {} {-0.887037775354 0.80584363467 0.0584533364016} H5 10 1 1 {} {-0.726589591461 0.744691525649 0.338618086701} H6 11 1 1 {} {-0.70234004015 0.551581791746 0.737531960335} H7 12 1 1 {} {-0.327762629441 0.758400564935 0.833422068224} H8 13 1 1 {} {-4.00765760104 3.31995566992 -0.464771046519} H10 14 1 7 {} {1.96188618509 -0.345012342499 -0.219441365047} N3 15 1 14 {} {4.19421038871 -1.99143595423 -0.183822292006} Si4 16 1 14 {} {1.79733623079 0.116277224493 0.585336863693} Si5 17 1 14 {} {2.02908559821 -0.240360518561 0.330428262135} Si6 18 1 7 {} {5.48053738376 -5.59165133222 0.435144802359} N4 19 1 1 {} {1.83086320625 -0.803224506184 0.635266833043} H11 20 1 1 {} {4.67203089866 -0.685882980933 -0.536224815355} H12 21 1 1 {} {1.7837460396 0.182996431013 0.369668363432} H13 22 1 1 {} {2.03140444863 -0.0939792328482 0.752014611563} H14 23 1 1 {} {1.82010858906 0.351539185982 0.779007326327} H15 24 1 1 {} {1.88767820437 -0.220187067154 0.688630877917} H16 25 1 1 {} {1.49711444984 -0.186711176744 0.739532429259} H17 26 1 1 {} {1.4583162222 -0.340920266698 0.7366849563} H18 27 1 1 {} {3.85558136331 -2.99345342314 -0.650878785416} H19 28 1 1 {} {6.56200986486 -4.7999266784 0.314347632324} 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