#MD System 2.0 @Title neb0_image09 @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 {} {0.22589098683 0.524703282281 0.346428479199} C1 1 1 14 {} {0.278789225804 0.487334269781 0.304954305062} Si1 2 1 14 {} {0.180772254866 0.533407681009 0.266271278387} Si2 3 1 8 {} {0.293718812863 0.516844057428 0.206187746409} O1 4 1 8 {} {0.310503366721 0.51582935336 0.388213042361} O2 5 1 6 {} {0.280497963831 0.393579261602 0.299900924693} C2 6 1 6 {} {0.150413758642 0.453092562494 0.24853639283} C3 7 1 8 {} {0.206097992443 0.561178054847 0.173752664386} O3 8 1 8 {} {0.145386292045 0.593761737925 0.295570037973} O4 9 1 14 {} {0.363805269977 0.529183820491 0.379408825713} Si3 10 1 7 {} {0.392395996517 0.456821493622 0.403821576792} N1 11 1 14 {} {0.439095720378 0.461814431026 0.328038056986} Si4 12 1 14 {} {0.383898053929 0.414822466229 0.50264717784} Si5 13 1 7 {} {0.358871823551 0.455169847469 0.590516175551} N2 14 1 7 {} {0.429386444297 0.54692201001 0.267475708813} N3 15 1 1 {} {0.216753063052 0.495806773686 0.406132845905} H1 16 1 1 {} {0.237061934089 0.574238526381 0.370194661246} H2 17 1 1 {} {0.269662501904 0.540933398111 0.175641423853} H3 18 1 1 {} {0.275275251147 0.370765540737 0.36592020432} H4 19 1 1 {} {0.312488256659 0.375088390435 0.273300219639} H5 20 1 1 {} {0.253911659674 0.37630435654 0.254557555653} H6 21 1 1 {} {0.123969714853 0.459419632961 0.198839761222} H7 22 1 1 {} {0.134972701007 0.436304663835 0.311266761829} H8 23 1 1 {} {0.172603674655 0.412794439736 0.22568541837} H9 24 1 1 {} {0.187374632785 0.582641277866 0.129958853846} H10 25 1 1 {} {0.117777442872 0.579412708475 0.322143625586} H11 26 1 1 {} {0.372458358688 0.552358851052 0.277601179728} H12 27 1 1 {} {0.37492641375 0.589753559434 0.44070683018} H13 28 1 1 {} {0.482292362174 0.461892273093 0.388207547885} H14 29 1 1 {} {0.444890474014 0.398577177297 0.254529599463} H15 30 1 1 {} {0.352837876452 0.359737999755 0.481818143786} H16 31 1 1 {} {0.424845368149 0.386894867442 0.542472748366} H17 32 1 1 {} {0.32773312416 0.474474392211 0.58592594812} H18 33 1 1 {} {0.373538401039 0.486235051784 0.634603748243} H19 34 1 1 {} {0.452869083358 0.577993361095 0.30089873679} H20 35 1 1 {} {0.377940214959 0.613179725527 0.30304489722} H21 36 1 6 {} {0.661179494038 0.645149311624 0.465982861253} C4 37 1 14 {} {0.616662321545 0.579282058301 0.440216249264} Si6 38 1 14 {} {0.639701733357 0.729956612974 0.418899622576} Si7 39 1 8 {} {0.580883900271 0.59628283016 0.352966179434} O5 40 1 8 {} {0.633932708913 0.503690557303 0.442849680182} O6 41 1 6 {} {0.577384742334 0.577217781639 0.545496537975} C5 42 1 6 {} {0.58514503537 0.774301596494 0.463336930423} C6 43 1 8 {} {0.628475178921 0.721149002792 0.309268966825} O7 44 1 8 {} {0.679461839753 0.792305484383 0.424928420498} O8 45 1 14 {} {0.627456567429 0.423626845589 0.413638146055} Si8 46 1 7 {} {0.578932333935 0.376833928845 0.43358372319} N4 47 1 14 {} {0.558045835771 0.325063474555 0.344467432579} Si9 48 1 14 {} {0.555257804485 0.367506169937 0.541560310163} Si10 49 1 7 {} {0.592029904719 0.38464858653 0.625664060665} N5 50 1 7 {} {0.591939507027 0.260723378949 0.304518201738} N6 51 1 1 {} {0.653703853035 0.652900400117 0.536706621708} H22 52 1 1 {} {0.698833280803 0.654792741763 0.472848157031} H23 53 1 1 {} {0.590819662714 0.621303199958 0.30544938491} H24 54 1 1 {} {0.589651006053 0.614761485543 0.601236893551} H25 55 1 1 {} {0.577548313459 0.527312259896 0.57776333717} H26 56 1 1 {} {0.542758342975 0.585975352218 0.512906427506} H27 57 1 1 {} {0.582220406502 0.825719926846 0.433932292084} H28 58 1 1 {} {0.584644918732 0.782970737333 0.536463403812} H29 59 1 1 {} {0.552038749653 0.751792684344 0.447651187445} H30 60 1 1 {} {0.63190432369 0.755766797417 0.264518733776} H31 61 1 1 {} {0.679715474204 0.815243145008 0.482469029827} H32 62 1 1 {} {0.63407833975 0.415444899079 0.316000335422} H33 63 1 1 {} {0.664563319244 0.395564138288 0.467199660536} H34 64 1 1 {} {0.516013984952 0.290556667512 0.376462409953} H35 65 1 1 {} {0.549196822698 0.366531337172 0.264894212365} H36 66 1 1 {} {0.519110945101 0.418623004008 0.561282329677} H37 67 1 1 {} {0.536194400865 0.29854947726 0.550177079857} H38 68 1 1 {} {0.594947549838 0.434449858429 0.64342704989} H39 69 1 1 {} {0.619603992587 0.359114210182 0.642741029716} H40 70 1 1 {} {0.61661797245 0.271618215545 0.259723869445} H41 71 1 1 {} {0.601316847774 0.221303729995 0.343404099457} 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