#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 {} {-0.922711599606 0.981055656461 0.641596896572} N1 1 1 14 {} {-3.91362084205 3.31394952043 3.77121361668} Si1 2 1 14 {} {-0.747395906254 1.06094910404 0.491479483335} Si2 3 1 14 {} {-0.56550334776 1.1203173669 0.836452394434} Si3 4 1 8 {} {-8.85480868407 13.4423547822 -0.610233381486} O 5 1 1 {} {-2.90854018229 1.62516837296 3.30530333767} H1 6 1 1 {} {-1.49229925334 1.6556534192 -0.823878919762} H2 7 1 1 {} {-0.657693969807 1.13482841088 0.398452872836} H3 8 1 1 {} {-1.15719981682 0.896007728398 0.812784627623} H4 9 1 1 {} {-0.885918608032 0.805406616609 0.0587875886463} H5 10 1 1 {} {-0.725372536997 0.744204625 0.338705805175} H6 11 1 1 {} {-0.70130435259 0.55122868185 0.737296735125} H7 12 1 1 {} {-0.326984318654 0.757905938985 0.833204886378} H8 13 1 1 {} {-4.003001898 3.31707987464 -0.463887279812} H10 14 1 7 {} {1.96058353302 -0.344117385002 -0.218614835649} N3 15 1 14 {} {4.19046908564 -1.98884824052 -0.183177062965} Si4 16 1 14 {} {1.79632391374 0.116773597935 0.585341622769} Si5 17 1 14 {} {2.02764252123 -0.239615849168 0.330782688914} Si6 18 1 7 {} {5.47531581609 -5.58523755776 0.435128686865} N4 19 1 1 {} {1.82967665216 -0.801750123311 0.634953409637} H11 20 1 1 {} {4.66788750149 -0.684753256396 -0.535284293753} H12 21 1 1 {} {1.78278157961 0.183433314864 0.369770561525} H13 22 1 1 {} {2.03019660954 -0.0933641225955 0.751913147871} H14 23 1 1 {} {1.81904618368 0.351892754691 0.778867665301} H15 24 1 1 {} {1.88628500683 -0.219391418706 0.688620136757} H16 25 1 1 {} {1.49628845101 -0.186014395515 0.739554648423} H17 26 1 1 {} {1.45744396123 -0.340211330635 0.736590464306} H18 27 1 1 {} {3.8521052127 -2.98987768355 -0.649785412412} H19 28 1 1 {} {6.55559507787 -4.79426650799 0.314471952288} 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