#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 {} {0.356651420763 0.54054925783 0.422741910863} C1 1 1 14 {} {0.337579158267 0.507502425217 0.533747128074} Si1 2 1 14 {} {0.411672186844 0.583138965608 0.418382411386} Si2 3 1 8 {} {0.340889433913 0.56779594442 0.608993771356} O1 4 1 8 {} {0.284669880675 0.48560285606 0.525804096068} O2 5 1 6 {} {0.369269847418 0.431562238937 0.569165899054} C2 6 1 6 {} {0.460614767545 0.525904768714 0.412047797757} C3 7 1 8 {} {0.413504912129 0.627053361373 0.513719201155} O3 8 1 8 {} {0.412133892051 0.633777567082 0.330502497551} O4 9 1 14 {} {0.232303823088 0.491164879239 0.556413192313} Si3 10 1 7 {} {0.212739256048 0.412409499671 0.587882214388} N1 11 1 14 {} {0.176703953125 0.40811695424 0.67974907693} Si4 12 1 14 {} {0.228338566474 0.342413240839 0.523865234651} Si5 13 1 7 {} {0.229535824799 0.354886274815 0.410307546468} N2 14 1 7 {} {0.129184212234 0.456460217939 0.67257364832} N3 15 1 1 {} {0.3562295341 0.500120519008 0.372694678835} H1 16 1 1 {} {0.331707903225 0.577651009902 0.400713982299} H2 17 1 1 {} {0.364653584647 0.59994546498 0.59595454284} H3 18 1 1 {} {0.365938991863 0.390555079264 0.520682430547} H4 19 1 1 {} {0.356597258886 0.41349051552 0.633667653262} H5 20 1 1 {} {0.404987425364 0.442529076004 0.577439793782} H6 21 1 1 {} {0.492643445758 0.55281442305 0.411583446415} H7 22 1 1 {} {0.45932894894 0.494882691926 0.351489387578} H8 23 1 1 {} {0.461506798319 0.491873548738 0.4694433768} H9 24 1 1 {} {0.438739501713 0.656411395206 0.523866202073} H10 25 1 1 {} {0.440568929487 0.642410742975 0.302013497923} H11 26 1 1 {} {0.226597214022 0.536810970822 0.634416223501} H12 27 1 1 {} {0.206851696625 0.517731824109 0.478668884401} H13 28 1 1 {} {0.1638232977 0.336400959972 0.687882010673} H14 29 1 1 {} {0.199754176422 0.432461865779 0.761625770557} H15 30 1 1 {} {0.274251555807 0.320732736894 0.548794046527} H16 31 1 1 {} {0.195204841148 0.289021118766 0.544209493629} H17 32 1 1 {} {0.255989140126 0.378804400721 0.382354005984} H18 33 1 1 {} {0.201052695634 0.365490239753 0.376296259756} H19 34 1 1 {} {0.129008175834 0.504059441297 0.696303880439} H20 35 1 1 {} {0.106519617836 0.450465566931 0.622774516631} H21 36 1 6 {} {0.5852992979 0.342158563818 0.309199361251} C4 37 1 14 {} {0.58064023245 0.375499812667 0.426256953388} Si6 38 1 14 {} {0.56935318031 0.253086037548 0.291243280318} Si7 39 1 8 {} {0.609291685031 0.326581018904 0.494209901217} O5 40 1 8 {} {0.603130168192 0.450725901839 0.431105037752} O6 41 1 6 {} {0.521645246941 0.383555947695 0.463056380281} C5 42 1 6 {} {0.508456116302 0.242425984037 0.267644391929} C6 43 1 8 {} {0.58464340071 0.21442659598 0.385491576884} O7 44 1 8 {} {0.599074185267 0.216045039016 0.211390862098} O8 45 1 14 {} {0.646894762816 0.495501944595 0.459765704958} Si8 46 1 7 {} {0.631361361073 0.576527550563 0.486855410097} N4 47 1 14 {} {0.637971914016 0.604295215334 0.597243307492} Si9 48 1 14 {} {0.607469476015 0.630230724615 0.408057476578} Si10 49 1 7 {} {0.618595396609 0.610993762456 0.298047536612} N5 50 1 7 {} {0.69062785482 0.624049256113 0.633632362293} N6 51 1 1 {} {0.565883198538 0.373886264025 0.263196820752} H22 52 1 1 {} {0.620621512091 0.347257392702 0.289579763941} H23 53 1 1 {} {0.607610658457 0.279457763741 0.476683614332} H24 54 1 1 {} {0.502766773639 0.416204251452 0.418214051927} H25 55 1 1 {} {0.52010078445 0.405697690498 0.530079791682} H26 56 1 1 {} {0.50454648811 0.33500808723 0.46528539402} H27 57 1 1 {} {0.499142675115 0.189312464923 0.263010149704} H28 58 1 1 {} {0.49919123885 0.266562887688 0.204273387936} H29 59 1 1 {} {0.488032477601 0.265288968784 0.320407327297} H30 60 1 1 {} {0.587337357818 0.16607129763 0.383256784313} H31 61 1 1 {} {0.585868009428 0.212023874922 0.152639756453} H32 62 1 1 {} {0.668916190984 0.466788497344 0.54047039143} H33 63 1 1 {} {0.678607615963 0.495161561309 0.383136258024} H34 64 1 1 {} {0.610349858105 0.666322819025 0.603842201406} H35 65 1 1 {} {0.621502216145 0.551300885681 0.658867192125} H36 66 1 1 {} {0.557699575157 0.629466841619 0.415452874214} H37 67 1 1 {} {0.624439199505 0.69912042407 0.425867738371} H38 68 1 1 {} {0.602209951793 0.572539051608 0.268146876631} H39 69 1 1 {} {0.650168439569 0.614544183551 0.273928100365} H40 70 1 1 {} {0.712034929874 0.586850344919 0.651409029703} H41 71 1 1 {} {0.707602663242 0.663155359316 0.606369540146} 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