#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 {} {0.369545694196 0.575666621875 0.411667584135} C1 1 1 14 {} {0.346211292656 0.548897995143 0.522309483273} Si1 2 1 14 {} {0.431556222967 0.585189759446 0.407226770021} Si2 3 1 8 {} {0.359390018475 0.605670122817 0.598393555919} O1 4 1 8 {} {0.29132674726 0.547186608658 0.515380480275} O2 5 1 6 {} {0.36517522091 0.46369733314 0.557114536209} C2 6 1 6 {} {0.46112659549 0.503729544459 0.392809370585} C3 7 1 8 {} {0.443882564574 0.621791567786 0.50625588257} O3 8 1 8 {} {0.44358094016 0.638648739349 0.324256071319} O4 9 1 14 {} {0.240816607618 0.551574226251 0.556680469963} Si3 10 1 7 {} {0.221161869696 0.473590271791 0.590833450577} N1 11 1 14 {} {0.19867155834 0.465337176343 0.698176395925} Si4 12 1 14 {} {0.221707452768 0.405986766486 0.515723877208} Si5 13 1 7 {} {0.215649886621 0.427253685513 0.405378230348} N2 14 1 7 {} {0.14825696609 0.50431486599 0.718399270703} N3 15 1 1 {} {0.359553528745 0.53985221253 0.359429898782} H1 16 1 1 {} {0.353868656988 0.623960450395 0.394675600341} H2 17 1 1 {} {0.389253753836 0.624076363165 0.588723144978} H3 18 1 1 {} {0.356469064997 0.425157152189 0.507735908305} H4 19 1 1 {} {0.349438829176 0.449912449135 0.620787806399} H5 20 1 1 {} {0.401488592503 0.462500557671 0.566978970572} H6 21 1 1 {} {0.496105214644 0.513594578509 0.389693739937} H7 22 1 1 {} {0.452334551919 0.481237983971 0.329238058656} H8 23 1 1 {} {0.455569461817 0.469655540184 0.447739053801} H9 24 1 1 {} {0.474810333428 0.635609446339 0.512603558842} H10 25 1 1 {} {0.475484019242 0.639738983031 0.311629340124} H11 26 1 1 {} {0.239121370443 0.595907365619 0.636906880261} H12 27 1 1 {} {0.21197057338 0.579838793695 0.484998423714} H13 28 1 1 {} {0.191994798746 0.39220054603 0.712543317216} H14 29 1 1 {} {0.230243538752 0.494499386991 0.764302089422} H15 30 1 1 {} {0.265010226418 0.369366075919 0.521562105511} H16 31 1 1 {} {0.184125822856 0.361220635611 0.542330455661} H17 32 1 1 {} {0.242636442823 0.441746866161 0.369255252659} H18 33 1 1 {} {0.187615012739 0.450495585589 0.383113398242} H19 34 1 1 {} {0.147493622481 0.553910338106 0.733414303947} H20 35 1 1 {} {0.120225413352 0.49057967567 0.684841160898} H21 36 1 6 {} {0.621482243013 0.617121835822 0.351255744328} C4 37 1 14 {} {0.579518995404 0.554639873538 0.388830384097} Si6 38 1 14 {} {0.615751221212 0.705599185055 0.387834432298} Si7 39 1 8 {} {0.531199588253 0.593504172491 0.383250197091} O5 40 1 8 {} {0.578990241096 0.490253954223 0.321493508755} O6 41 1 6 {} {0.589230875697 0.522632759351 0.503655512329} C5 42 1 6 {} {0.633789998055 0.72262943925 0.505000083823} C6 43 1 8 {} {0.56070893603 0.720454665189 0.376299769426} O7 44 1 8 {} {0.643484600608 0.754889406326 0.318016595717} O8 45 1 14 {} {0.57247082199 0.429673122881 0.248599894986} Si8 46 1 7 {} {0.585074682554 0.35163593494 0.291689007319} N4 47 1 14 {} {0.54140910985 0.295332593452 0.315263749526} Si9 48 1 14 {} {0.639643511236 0.326249710679 0.316968261215} Si10 49 1 7 {} {0.680700646727 0.372428139446 0.265818091292} N5 50 1 7 {} {0.517484113794 0.252148203246 0.228200633944} N6 51 1 1 {} {0.654719374773 0.598806753787 0.370028466596} H22 52 1 1 {} {0.620550276646 0.617878828727 0.277652200442} H23 53 1 1 {} {0.531708281356 0.64250065519 0.378659453218} H24 54 1 1 {} {0.621339747538 0.496108738215 0.506295970696} H25 55 1 1 {} {0.563125811214 0.487126610692 0.523920192286} H26 56 1 1 {} {0.590160093124 0.563168445233 0.553238705746} H27 57 1 1 {} {0.628540874679 0.775408135343 0.523197427646} H28 58 1 1 {} {0.66937939264 0.711232133914 0.514385881621} H29 59 1 1 {} {0.614828032299 0.692078645961 0.552797986289} H30 60 1 1 {} {0.550348636602 0.76634744201 0.373390125407} H31 61 1 1 {} {0.661318154561 0.790637616638 0.343039874359} H32 62 1 1 {} {0.524929816094 0.427811656629 0.219971663533} H33 63 1 1 {} {0.601789977751 0.445813342351 0.171266665197} H34 64 1 1 {} {0.561419728956 0.244633101223 0.376362499296} H35 65 1 1 {} {0.504679469479 0.333365238939 0.358466583724} H36 66 1 1 {} {0.648918093066 0.332367136568 0.414455307133} H37 67 1 1 {} {0.643424692388 0.254860548315 0.288848176089} H38 68 1 1 {} {0.693931996294 0.413290133925 0.296150662804} H39 69 1 1 {} {0.683659701371 0.375448312792 0.198414933498} H40 70 1 1 {} {0.495377968362 0.275487287777 0.187349534553} H41 71 1 1 {} {0.534960154069 0.216776231707 0.19437554574} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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