#MD System 2.0 @Title neb0_image06 @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 6 {} {0.215628724281 0.526779060878 0.326834286924} C1 1 1 14 {} {0.269553111301 0.489787451719 0.285060026058} Si1 2 1 14 {} {0.168938375242 0.535226644148 0.245878898363} Si2 3 1 8 {} {0.282115977637 0.522728105538 0.18715415337} O1 4 1 8 {} {0.309463260445 0.510212398652 0.35594183138} O2 5 1 6 {} {0.267603552458 0.39660067512 0.278111167967} C2 6 1 6 {} {0.13736850281 0.455531292278 0.228107054309} C3 7 1 8 {} {0.193441579042 0.561230812537 0.151686871975} O3 8 1 8 {} {0.133564981142 0.596266973942 0.272915806092} O4 9 1 14 {} {0.360955416724 0.539097910716 0.361067425972} Si3 10 1 7 {} {0.395388332047 0.475856747457 0.402874410931} N1 11 1 14 {} {0.449349222691 0.474019628731 0.360336583757} Si4 12 1 14 {} {0.375261166938 0.421774147017 0.485827910918} Si5 13 1 7 {} {0.346169699851 0.459669673116 0.571166008262} N2 14 1 7 {} {0.469154653498 0.555140051787 0.363263654377} N3 15 1 1 {} {0.204010958314 0.498180236021 0.385314825975} H1 16 1 1 {} {0.223477507279 0.577617671344 0.350981039643} H2 17 1 1 {} {0.25662603807 0.543006757846 0.156470976391} H3 18 1 1 {} {0.262430908249 0.373579396429 0.343925549489} H4 19 1 1 {} {0.299314818002 0.377543175823 0.251339013034} H5 20 1 1 {} {0.240818749908 0.379542030031 0.233407987315} H6 21 1 1 {} {0.110848111915 0.461769806671 0.178071119297} H7 22 1 1 {} {0.121835151541 0.437838926922 0.290328983469} H8 23 1 1 {} {0.15976772667 0.415707503693 0.204520004439} H9 24 1 1 {} {0.174905557897 0.584218679055 0.108424166659} H10 25 1 1 {} {0.105165912519 0.58394455947 0.298979673322} H11 26 1 1 {} {0.377367976177 0.558989433383 0.271266162234} H12 27 1 1 {} {0.359907365345 0.597868991896 0.422267865396} H13 28 1 1 {} {0.474200102842 0.422849672712 0.414004230666} H14 29 1 1 {} {0.452151141472 0.456123819785 0.26386081664} H15 30 1 1 {} {0.343890481459 0.372689796907 0.445354409953} H16 31 1 1 {} {0.414870539125 0.387645319512 0.524788458055} H17 32 1 1 {} {0.314586685886 0.476191259366 0.559994936954} H18 33 1 1 {} {0.362213246606 0.490146151583 0.615016027334} H19 34 1 1 {} {0.494371031643 0.568516008505 0.321372024155} H20 35 1 1 {} {0.474331371021 0.576819869477 0.423790229308} H21 36 1 6 {} {0.645125168754 0.639331388251 0.485745551381} C4 37 1 14 {} {0.606005693201 0.575582695291 0.438683630916} Si6 38 1 14 {} {0.64226459456 0.725789469977 0.440830448941} Si7 39 1 8 {} {0.602383057594 0.583667477349 0.328941172299} O5 40 1 8 {} {0.625021622572 0.500411648013 0.462101076348} O6 41 1 6 {} {0.549853934924 0.581964869452 0.490371500601} C5 42 1 6 {} {0.594636457542 0.776142672264 0.485608805134} C6 43 1 8 {} {0.638068375678 0.71482893717 0.330366125651} O7 44 1 8 {} {0.689808136766 0.767175594667 0.456601311805} O8 45 1 14 {} {0.635429559475 0.422443070185 0.434219371237} Si8 46 1 7 {} {0.590080852147 0.370428742202 0.452567655121} N4 47 1 14 {} {0.570540531749 0.321085531808 0.363816562224} Si9 48 1 14 {} {0.56530663706 0.367041726184 0.558762850625} Si10 49 1 7 {} {0.600681990292 0.385853168344 0.645544729342} N5 50 1 7 {} {0.605490085706 0.258393325288 0.326395684894} N6 51 1 1 {} {0.640487742042 0.640549508351 0.558704787033} H22 52 1 1 {} {0.679110407202 0.620553831871 0.47338468439} H23 53 1 1 {} {0.614992553064 0.625689818367 0.306510616066} H24 54 1 1 {} {0.549261296938 0.572253159861 0.562392842323} H25 55 1 1 {} {0.529607612552 0.543054417472 0.458550791525} H26 56 1 1 {} {0.534216806594 0.630962368976 0.477067304918} H27 57 1 1 {} {0.593874637979 0.826571334819 0.456232605971} H28 58 1 1 {} {0.596695812151 0.781681317795 0.558555683583} H29 59 1 1 {} {0.562544544731 0.752044198648 0.470484334871} H30 60 1 1 {} {0.645952403811 0.752306455275 0.292445495984} H31 61 1 1 {} {0.690167642627 0.802157261785 0.501241444906} H32 62 1 1 {} {0.646923400017 0.417577335013 0.33753191742} H33 63 1 1 {} {0.674629124436 0.402279228997 0.489131373993} H34 64 1 1 {} {0.52878251512 0.289238050365 0.396801056651} H35 65 1 1 {} {0.56235924251 0.364054239956 0.284427415349} H36 66 1 1 {} {0.528184137157 0.416514251123 0.565554264285} H37 67 1 1 {} {0.548190560628 0.297622457964 0.570697580155} H38 68 1 1 {} {0.607124692998 0.434438215776 0.66087296622} H39 69 1 1 {} {0.627649067299 0.356707820095 0.659037583231} H40 70 1 1 {} {0.63013246486 0.269561417125 0.282244338268} H41 71 1 1 {} {0.615046567593 0.220635315175 0.367677944537} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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