#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 {} {-0.922861134283 0.981118224028 0.641611027093} N1 1 1 14 {} {-3.91414215454 3.31427834231 3.77160724685} Si1 2 1 14 {} {-0.74750791525 1.06102265059 0.491478934813} Si2 3 1 14 {} {-0.565615712259 1.12041650275 0.836489316639} Si3 4 1 8 {} {-8.85594307763 13.4439117103 -0.610357527723} O 5 1 1 {} {-2.90892545281 1.62528512892 3.30562999701} H1 6 1 1 {} {-1.49253046956 1.65578767459 -0.824052444154} H2 7 1 1 {} {-0.657794635578 1.13489625295 0.398442106778} H3 8 1 1 {} {-1.15735673843 0.896068434219 0.812811694835} H4 9 1 1 {} {-0.886046259242 0.805456462493 0.0587494641383} H5 10 1 1 {} {-0.725511353126 0.744260160447 0.338695800085} H6 11 1 1 {} {-0.701422482174 0.551268957244 0.7373235647} H7 12 1 1 {} {-0.327073092076 0.757962355572 0.833229657943} H8 13 1 1 {} {-4.00353292327 3.31740788525 -0.463988081441} H10 14 1 7 {} {1.96073211233 -0.344219463042 -0.218709108842} N3 15 1 14 {} {4.19089581528 -1.9891433928 -0.183250657204} Si4 16 1 14 {} {1.79643937771 0.11671698203 0.585341079953} Si5 17 1 14 {} {2.02780711728 -0.239700785484 0.330742263317} Si6 18 1 7 {} {5.47591138337 -5.58596910706 0.435130524983} N4 19 1 1 {} {1.82981198945 -0.801918290085 0.634989158426} H11 20 1 1 {} {4.66836009362 -0.684882111752 -0.535391568794} H12 21 1 1 {} {1.78289158505 0.183383484288 0.369758904903} H13 22 1 1 {} {2.03033437457 -0.0934342815132 0.751924720728} H14 23 1 1 {} {1.81916736067 0.351852426965 0.778883594911} H15 24 1 1 {} {1.88644391368 -0.219482169646 0.688621361884} H16 25 1 1 {} {1.49638266369 -0.18609386975 0.739552114125} H17 26 1 1 {} {1.45754345053 -0.34029219124 0.736601241977} H18 27 1 1 {} {3.85250169929 -2.99028552917 -0.649910121546} H19 28 1 1 {} {6.55632674266 -4.79491210189 0.314457772466} 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