#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 {} {-0.922554276234 0.980989829985 0.641582030046} N1 1 1 14 {} {-3.91307237636 3.31360357147 3.7707994838} Si1 2 1 14 {} {-0.747278063133 1.06087172673 0.491480060426} Si2 3 1 14 {} {-0.56538513062 1.12021306744 0.836413549091} Si3 4 1 8 {} {-8.85361520424 13.4407167595 -0.610102768942} O 5 1 1 {} {-2.9081348445 1.62504553563 3.30495966389} H1 6 1 1 {} {-1.49205599394 1.65551217096 -0.823696357139} H2 7 1 1 {} {-0.657588060738 1.13475703518 0.398464199656} H3 8 1 1 {} {-1.15703472176 0.895943860639 0.812756150584} H4 9 1 1 {} {-0.885784307953 0.805354174442 0.0588276989157} H5 10 1 1 {} {-0.725226490461 0.744146196922 0.338716331392} H6 11 1 1 {} {-0.701180070083 0.551186308662 0.7372685081} H7 12 1 1 {} {-0.326890921359 0.757846583871 0.833178824557} H8 13 1 1 {} {-4.00244321364 3.31673477921 -0.463781227807} H10 14 1 7 {} {1.96042721477 -0.344009990102 -0.218515652121} N3 15 1 14 {} {4.19002012927 -1.98853771487 -0.18309963548} Si4 16 1 14 {} {1.7962024357 0.116833162748 0.585342193858} Si5 17 1 14 {} {2.02746935199 -0.239526488841 0.330825220128} Si6 18 1 7 {} {5.47468922797 -5.58446790482 0.435126753005} N4 19 1 1 {} {1.82953426567 -0.801573197366 0.634915798828} H11 20 1 1 {} {4.66739029383 -0.684617689452 -0.535171431161} H12 21 1 1 {} {1.78266584442 0.183485740927 0.369782825296} H13 22 1 1 {} {2.03005166885 -0.0932903093652 0.751900972228} H14 23 1 1 {} {1.81891869503 0.351935182937 0.778850905977} H15 24 1 1 {} {1.88611782313 -0.219295940892 0.688618847818} H16 25 1 1 {} {1.49618933115 -0.185930781768 0.739557314723} H17 26 1 1 {} {1.45733928991 -0.340126258308 0.736579125266} H18 27 1 1 {} {3.85168807463 -2.9894485948 -0.649654207652} H19 28 1 1 {} {6.55482530344 -4.79358728754 0.314486870684} 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