#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 {} {0.220631469108 0.526132317474 0.334811259623} C1 1 1 14 {} {0.27415653896 0.488810994155 0.293035446283} Si1 2 1 14 {} {0.174098042257 0.534539276068 0.254118647012} Si2 3 1 8 {} {0.286862833759 0.519718415755 0.194062763996} O1 4 1 8 {} {0.313081228945 0.51148722755 0.3647239153} O2 5 1 6 {} {0.272848076625 0.3955285017 0.287065831528} C2 6 1 6 {} {0.142702187781 0.454758690355 0.236540894415} C3 7 1 8 {} {0.198515315802 0.561623480967 0.160636941425} O3 8 1 8 {} {0.138670337883 0.594613460867 0.282840386992} O4 9 1 14 {} {0.364966475238 0.538367331711 0.368062251117} Si3 10 1 7 {} {0.396134113418 0.471090269208 0.408618411404} N1 11 1 14 {} {0.444817806784 0.467201444122 0.346811064623} Si4 12 1 14 {} {0.379253026961 0.419333607377 0.495823534253} Si5 13 1 7 {} {0.350644823769 0.458016713498 0.581498819597} N2 14 1 7 {} {0.442611664874 0.563166502745 0.317937638808} N3 15 1 1 {} {0.209285211944 0.497391597055 0.393327331656} H1 16 1 1 {} {0.229095552594 0.576760524058 0.358849895441} H2 17 1 1 {} {0.261934999502 0.542101295232 0.163955199825} H3 18 1 1 {} {0.267574572 0.372060235362 0.352459227134} H4 19 1 1 {} {0.304517472706 0.376211240449 0.260398436672} H5 20 1 1 {} {0.246078284935 0.378724206474 0.242168466857} H6 21 1 1 {} {0.116161431224 0.461125762676 0.186505648382} H7 22 1 1 {} {0.127061184403 0.437376213765 0.298920440423} H8 23 1 1 {} {0.164920154956 0.414587463401 0.213240028436} H9 24 1 1 {} {0.179621258438 0.583762216774 0.116760705997} H10 25 1 1 {} {0.110178937616 0.581827254441 0.308407442138} H11 26 1 1 {} {0.381105123469 0.557548276684 0.278969818805} H12 27 1 1 {} {0.365681096774 0.596576370618 0.430872675237} H13 28 1 1 {} {0.479122659427 0.433591453285 0.413106958979} H14 29 1 1 {} {0.453563929175 0.437901538401 0.258093848086} H15 30 1 1 {} {0.348094761041 0.369218022748 0.455478900856} H16 31 1 1 {} {0.420148147352 0.386561874223 0.532770343105} H17 32 1 1 {} {0.319522759709 0.475470495047 0.568831220672} H18 33 1 1 {} {0.366776588562 0.48950235896 0.623761945726} H19 34 1 1 {} {0.487571905228 0.56091527084 0.31802028943} H20 35 1 1 {} {0.433493039467 0.584382703111 0.38189652861} H21 36 1 6 {} {0.649063004635 0.643347279388 0.477369328802} C4 37 1 14 {} {0.610988986686 0.58050788737 0.441040805504} Si6 38 1 14 {} {0.63864996929 0.728351422886 0.431357508211} Si7 39 1 8 {} {0.592533662716 0.587347968875 0.33350273358} O5 40 1 8 {} {0.624314329187 0.501260396538 0.453432521557} O6 41 1 6 {} {0.563898832384 0.588113648603 0.518524327251} C5 42 1 6 {} {0.58968362033 0.776721024089 0.47725442038} C6 43 1 8 {} {0.632867743322 0.715870638024 0.321390575972} O7 44 1 8 {} {0.685331811788 0.771770179914 0.446185993572} O8 45 1 14 {} {0.63108878471 0.422558108796 0.427106694874} Si8 46 1 7 {} {0.584848230575 0.370924757266 0.442871064129} N4 47 1 14 {} {0.56568889556 0.321947705585 0.356041684694} Si9 48 1 14 {} {0.560667965036 0.367754002978 0.552247585069} Si10 49 1 7 {} {0.596447776736 0.38646604543 0.635316172058} N5 50 1 7 {} {0.599747971267 0.258217344256 0.316169677776} N6 51 1 1 {} {0.638142746161 0.64184283487 0.548474636094} H22 52 1 1 {} {0.683651989885 0.627745700962 0.467620437911} H23 53 1 1 {} {0.607067370197 0.624550911238 0.300082486082} H24 54 1 1 {} {0.560797468511 0.586868912946 0.592624115598} H25 55 1 1 {} {0.561618083244 0.528361265541 0.493529867476} H26 56 1 1 {} {0.537080414824 0.622913601182 0.483185389269} H27 57 1 1 {} {0.588828483853 0.827230078907 0.447524107535} H28 58 1 1 {} {0.591552350294 0.782831261091 0.550220665451} H29 59 1 1 {} {0.557330182497 0.753294453953 0.462130608462} H30 60 1 1 {} {0.640499424836 0.752913746731 0.282735639902} H31 61 1 1 {} {0.685171611573 0.804786714679 0.49304350519} H32 62 1 1 {} {0.641680970151 0.418335214111 0.328701596153} H33 63 1 1 {} {0.67018184234 0.402688637248 0.481354033586} H34 64 1 1 {} {0.523811694037 0.290129192713 0.388730612278} H35 65 1 1 {} {0.557230421319 0.365175910223 0.276467282065} H36 66 1 1 {} {0.52362607109 0.417254043886 0.562118994875} H37 67 1 1 {} {0.543101290326 0.297761700041 0.562670886366} H38 68 1 1 {} {0.601687986518 0.434860306129 0.653133509898} H39 69 1 1 {} {0.623306916326 0.357520436475 0.651706015481} H40 70 1 1 {} {0.624590273174 0.270269576125 0.273134087295} H41 71 1 1 {} {0.609395640864 0.220825389304 0.357425294269} 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