#MD System 2.0 @Title neb0_image07 @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 {} {0.217296431334 0.526142449975 0.330695380566} C1 1 1 14 {} {0.270562548726 0.488478012074 0.288271934064} Si1 2 1 14 {} {0.171048372998 0.535102580245 0.249824099953} Si2 3 1 8 {} {0.284434901247 0.523218224296 0.192141437453} O1 4 1 8 {} {0.309831074978 0.507422289154 0.361745189429} O2 5 1 6 {} {0.26963381074 0.395983593326 0.281236890712} C2 6 1 6 {} {0.139354187554 0.455220027698 0.23147943264} C3 7 1 8 {} {0.195343874882 0.560592935357 0.154428411914} O3 8 1 8 {} {0.135224949776 0.596307997625 0.275644265175} O4 9 1 14 {} {0.362700563259 0.53920908147 0.366863561211} Si3 10 1 7 {} {0.39707281052 0.473884725403 0.411375478708} N1 11 1 14 {} {0.453663168375 0.474369150555 0.368671793718} Si4 12 1 14 {} {0.376972020034 0.420624079134 0.492410360945} Si5 13 1 7 {} {0.34797671127 0.46161156129 0.57499224666} N2 14 1 7 {} {0.483822111875 0.553934236139 0.366278008076} N3 15 1 1 {} {0.205788656074 0.497541191022 0.389265642451} H1 16 1 1 {} {0.225312407262 0.577150278565 0.354477066156} H2 17 1 1 {} {0.258818412466 0.542603027485 0.160591154637} H3 18 1 1 {} {0.264696953097 0.373551965446 0.347366596021} H4 19 1 1 {} {0.301522754568 0.377595259635 0.254822153984} H5 20 1 1 {} {0.243177876275 0.379022762386 0.237063673455} H6 21 1 1 {} {0.112667603095 0.460971308205 0.181164691535} H7 22 1 1 {} {0.123895116338 0.437056984523 0.294064690805} H8 23 1 1 {} {0.1621978862 0.415435887558 0.207904099346} H9 24 1 1 {} {0.177471231378 0.583578233684 0.11203668886} H10 25 1 1 {} {0.107376852224 0.58430241339 0.302128159297} H11 26 1 1 {} {0.375908331185 0.557875125485 0.274090244985} H12 27 1 1 {} {0.361690583792 0.596915286638 0.42577869327} H13 28 1 1 {} {0.47830172428 0.416692617421 0.423361787708} H14 29 1 1 {} {0.455111131203 0.466324156519 0.273650208978} H15 30 1 1 {} {0.346016767058 0.372239676524 0.446664342354} H16 31 1 1 {} {0.417986054851 0.387871649794 0.526093569439} H17 32 1 1 {} {0.315602665411 0.474973483806 0.561692164699} H18 33 1 1 {} {0.366310894307 0.489274468526 0.618326068157} H19 34 1 1 {} {0.504039620298 0.569451664337 0.323048573853} H20 35 1 1 {} {0.482612498969 0.576310896842 0.44068745172} H21 36 1 6 {} {0.638899890518 0.646584354516 0.48287917434} C4 37 1 14 {} {0.604022588925 0.576310507576 0.435154352202} Si6 38 1 14 {} {0.637708780651 0.72966360293 0.435217461585} Si7 39 1 8 {} {0.601631010191 0.582510402632 0.320671891209} O5 40 1 8 {} {0.621007047422 0.49830692523 0.455023803746} O6 41 1 6 {} {0.544436796052 0.58339532337 0.4820369182} C5 42 1 6 {} {0.592681549738 0.776375557286 0.482724449953} C6 43 1 8 {} {0.636609257985 0.713245503815 0.327388223105} O7 44 1 8 {} {0.685880590069 0.763266065364 0.45420983117} O8 45 1 14 {} {0.633241739876 0.419613965293 0.431419436709} Si8 46 1 7 {} {0.586909753725 0.3700665478 0.446905490143} N4 47 1 14 {} {0.569901982946 0.322454228489 0.36290838642} Si9 48 1 14 {} {0.562982441822 0.369432639138 0.556919105829} Si10 49 1 7 {} {0.598386510209 0.386526615731 0.641769162579} N5 50 1 7 {} {0.603240952393 0.259246682281 0.32345416444} N6 51 1 1 {} {0.635820342054 0.640625264445 0.556169416908} H22 52 1 1 {} {0.670294836968 0.614018863497 0.462279152778} H23 53 1 1 {} {0.614749756559 0.628096609422 0.302160220509} H24 54 1 1 {} {0.54130074002 0.567894914287 0.555997929704} H25 55 1 1 {} {0.528160643831 0.545146843835 0.445277012362} H26 56 1 1 {} {0.530106364828 0.638393090899 0.471294972367} H27 57 1 1 {} {0.592666830899 0.825733390379 0.452284394849} H28 58 1 1 {} {0.594753798341 0.781473589642 0.555473943255} H29 59 1 1 {} {0.561637659478 0.750925236151 0.466639244345} H30 60 1 1 {} {0.643808403963 0.752685201143 0.292110440919} H31 61 1 1 {} {0.687943435648 0.801800786396 0.496996225772} H32 62 1 1 {} {0.645108409861 0.418615217826 0.333247160127} H33 63 1 1 {} {0.672140948505 0.402278020945 0.484458901377} H34 64 1 1 {} {0.527093480805 0.2909097344 0.393768901117} H35 65 1 1 {} {0.559967542743 0.364935577055 0.280813531561} H36 66 1 1 {} {0.526050472956 0.416586256526 0.56012433} H37 67 1 1 {} {0.546322656903 0.298292958818 0.566435382735} H38 68 1 1 {} {0.60470728964 0.43462521863 0.657036845867} H39 69 1 1 {} {0.625015118617 0.356753473584 0.6544116721} H40 70 1 1 {} {0.628101880822 0.270157264443 0.279112347473} H41 71 1 1 {} {0.612942791983 0.221517277723 0.364698077502} 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