#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 {} {-0.92283396223 0.98110685483 0.641608459426} N1 1 1 14 {} {-3.91404742647 3.31421859185 3.77153572003} Si1 2 1 14 {} {-0.747487562015 1.06100928639 0.491479034485} Si2 3 1 14 {} {-0.565595294425 1.1203984887 0.836482607478} Si3 4 1 8 {} {-8.85573694616 13.4436287998 -0.610334969021} O 5 1 1 {} {-2.90885544502 1.62526391311 3.3055706395} H1 6 1 1 {} {-1.49248845509 1.65576327895 -0.824020912912} H2 7 1 1 {} {-0.657776343528 1.13488392531 0.398444063086} H3 8 1 1 {} {-1.15732822409 0.896057403321 0.812806776432} H4 9 1 1 {} {-0.886023063649 0.805447404962 0.0587563917701} H5 10 1 1 {} {-0.725486128747 0.744250069061 0.338697618117} H6 11 1 1 {} {-0.701401016763 0.551261638773 0.737318689478} H7 12 1 1 {} {-0.327056960994 0.757952104074 0.833225156684} H8 13 1 1 {} {-4.00343643029 3.3173482822 -0.463969764705} H10 14 1 7 {} {1.96070511388 -0.344200914368 -0.218691978392} N3 15 1 14 {} {4.19081827393 -1.98908976046 -0.183237284342} Si4 16 1 14 {} {1.79641839667 0.116727269747 0.585341178588} Si5 17 1 14 {} {2.02777720842 -0.239685351645 0.330749609082} Si6 18 1 7 {} {5.47580316241 -5.58583617671 0.435130190977} N4 19 1 1 {} {1.82978739721 -0.801887732379 0.634982662488} H11 20 1 1 {} {4.66827421856 -0.684858697353 -0.535372075769} H12 21 1 1 {} {1.78287159588 0.183392539038 0.369761023037} H13 22 1 1 {} {2.03030934119 -0.0934215328858 0.751922617816} H14 23 1 1 {} {1.81914534151 0.351859754945 0.77888070033} H15 24 1 1 {} {1.8864150386 -0.219465679228 0.688621139266} H16 25 1 1 {} {1.49636554423 -0.18607942843 0.739552574635} H17 26 1 1 {} {1.45752537225 -0.340277498001 0.736599283558} H18 27 1 1 {} {3.85242965342 -2.99021141925 -0.649887460559} H19 28 1 1 {} {6.55619379133 -4.79479479056 0.314460349092} 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