#MD System 2.0 @Title neb0_image05 @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 {} {0.212853832167 0.527288349309 0.322436042525} C1 1 1 14 {} {0.266782048082 0.490306003082 0.280609842595} Si1 2 1 14 {} {0.166168326156 0.535780188088 0.241422838576} Si2 3 1 8 {} {0.279403054257 0.523438230412 0.18283907692} O1 4 1 8 {} {0.306774282686 0.510591129606 0.351583446018} O2 5 1 6 {} {0.264818578266 0.397127944573 0.273561628632} C2 6 1 6 {} {0.134626966432 0.456059474995 0.223690177045} C3 7 1 8 {} {0.190641565734 0.56161391707 0.147157991103} O3 8 1 8 {} {0.130816804811 0.596886524876 0.268333526281} O4 9 1 14 {} {0.358245979504 0.539494538004 0.35667996728} Si3 10 1 7 {} {0.393021082363 0.476590112187 0.398278249608} N1 11 1 14 {} {0.447192240439 0.474997924688 0.357107229216} Si4 12 1 14 {} {0.372579846715 0.422425131894 0.481186396325} Si5 13 1 7 {} {0.343497810246 0.460202706109 0.566491751263} N2 14 1 7 {} {0.468795401151 0.554620792888 0.362817485846} N3 15 1 1 {} {0.201254074338 0.498673849099 0.38089455189} H1 16 1 1 {} {0.220697002465 0.578107373204 0.346601998907} H2 17 1 1 {} {0.253864808276 0.5435032088 0.15207425252} H3 18 1 1 {} {0.259676035407 0.374147710761 0.339419707304} H4 19 1 1 {} {0.296552084919 0.378095923948 0.24680750005} H5 20 1 1 {} {0.238056422881 0.380012822006 0.22888772501} H6 21 1 1 {} {0.108110995212 0.462244930092 0.17363033361} H7 22 1 1 {} {0.119093280368 0.438304800802 0.285870730406} H8 23 1 1 {} {0.157039201417 0.416257628842 0.200058406643} H9 24 1 1 {} {0.172176199176 0.584697525442 0.103937985921} H10 25 1 1 {} {0.102444754017 0.584563944712 0.294415181064} H11 26 1 1 {} {0.374636485195 0.559468357531 0.266798463998} H12 27 1 1 {} {0.357119820873 0.598326650916 0.417696581695} H13 28 1 1 {} {0.471469431271 0.422706668405 0.410029501352} H14 29 1 1 {} {0.449559416011 0.45767484178 0.260668392072} H15 30 1 1 {} {0.341135720783 0.373226509784 0.440814049432} H16 31 1 1 {} {0.412087125437 0.388139784744 0.520369594238} H17 32 1 1 {} {0.31188013 0.476680951257 0.555557259621} H18 33 1 1 {} {0.359493180637 0.490576017772 0.610479378194} H19 34 1 1 {} {0.492243502898 0.56969774069 0.3176826249} H20 35 1 1 {} {0.474781120195 0.576964293308 0.422730674041} H21 36 1 6 {} {0.647350671178 0.638518466063 0.490191217721} C4 37 1 14 {} {0.607938471696 0.574723776979 0.442607798691} Si6 38 1 14 {} {0.644999177459 0.725213732425 0.445447688846} Si7 39 1 8 {} {0.605471391823 0.582968732475 0.332687177481} O5 40 1 8 {} {0.627521187623 0.500022474642 0.466611156918} O6 41 1 6 {} {0.55113183718 0.580841693532 0.492166910228} C5 42 1 6 {} {0.597406622857 0.775649821728 0.490119412669} C6 43 1 8 {} {0.640638250548 0.714412212908 0.334908655155} O7 44 1 8 {} {0.692592732686 0.766530834376 0.461061831007} O8 45 1 14 {} {0.638112226552 0.42202991096 0.438693550516} Si8 46 1 7 {} {0.592855013849 0.369949818552 0.457001634387} N4 47 1 14 {} {0.57330162572 0.320568643197 0.368358432099} Si9 48 1 14 {} {0.568065735801 0.366582945544 0.563035030258} Si10 49 1 7 {} {0.603406885237 0.385359239912 0.650324926769} N5 50 1 7 {} {0.608267369086 0.257990269183 0.33103550568} N6 51 1 1 {} {0.643202110952 0.640070767035 0.563325178993} H22 52 1 1 {} {0.681400858939 0.619761734037 0.477804763969} H23 53 1 1 {} {0.617881620411 0.625365754979 0.31086451999} H24 54 1 1 {} {0.551009359111 0.570964235238 0.563803431593} H25 55 1 1 {} {0.529402890818 0.543824268583 0.460237684664} H26 56 1 1 {} {0.536398727727 0.630825815271 0.480640081262} H27 57 1 1 {} {0.59663964608 0.826061126763 0.460729945431} H28 58 1 1 {} {0.599452723323 0.781154952767 0.563070328515} H29 59 1 1 {} {0.56532426443 0.75147753637 0.474923409476} H30 60 1 1 {} {0.648703331198 0.751821952408 0.296970581065} H31 61 1 1 {} {0.692943632302 0.801577168141 0.505678931347} H32 62 1 1 {} {0.649703493134 0.417033759451 0.341977310958} H33 63 1 1 {} {0.677347111498 0.401714994356 0.493539205381} H34 64 1 1 {} {0.53150361833 0.288682841077 0.401196005718} H35 65 1 1 {} {0.565098608992 0.363548118719 0.288742438191} H36 66 1 1 {} {0.530977737673 0.415968306819 0.569612374104} H37 67 1 1 {} {0.550955528509 0.297150191151 0.575075792295} H38 68 1 1 {} {0.609939295934 0.43394173703 0.665255670157} H39 69 1 1 {} {0.630393685049 0.356226710949 0.663426881502} H40 70 1 1 {} {0.632913833154 0.269047973464 0.286797538455} H41 71 1 1 {} {0.617837967691 0.220225931393 0.372264593342} 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