#MD System 2.0 @Title neb0_image03 @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 {} {0.361875605787 0.556248200948 0.413277143923} C1 1 1 14 {} {0.338589240071 0.529596620529 0.523967701211} Si1 2 1 14 {} {0.42352289356 0.567061321286 0.408860433566} Si2 3 1 8 {} {0.351735494155 0.586343096695 0.599975071709} O1 4 1 8 {} {0.28359124668 0.527712253935 0.517027897164} O2 5 1 6 {} {0.357528565424 0.444383227407 0.558646293415} C2 6 1 6 {} {0.454769280327 0.486875255926 0.394185125364} C3 7 1 8 {} {0.436466923483 0.602070004099 0.507719581681} O3 8 1 8 {} {0.436559460411 0.618420372073 0.325748656136} O4 9 1 14 {} {0.233207378652 0.532328658292 0.5582465896} Si3 10 1 7 {} {0.213495035367 0.454233713645 0.592394212501} N1 11 1 14 {} {0.191041854619 0.445949614623 0.699848216773} Si4 12 1 14 {} {0.214059355614 0.386535578341 0.517361964704} Si5 13 1 7 {} {0.208000042465 0.407961026184 0.407017950124} N2 14 1 7 {} {0.140615405927 0.484998386935 0.719917665689} N3 15 1 1 {} {0.35186068643 0.52049986844 0.360955747769} H1 16 1 1 {} {0.346243918924 0.604602301464 0.396262674308} H2 17 1 1 {} {0.381604478088 0.604776191211 0.590351679282} H3 18 1 1 {} {0.34881082779 0.405812739955 0.509323627287} H4 19 1 1 {} {0.341823477096 0.430593798912 0.622366821489} H5 20 1 1 {} {0.393869623146 0.443178143492 0.568629389981} H6 21 1 1 {} {0.490857748264 0.496468275583 0.391022178273} H7 22 1 1 {} {0.445180517364 0.462585682088 0.331177469461} H8 23 1 1 {} {0.448648419852 0.451293285693 0.448673726717} H9 24 1 1 {} {0.467214732539 0.616679757925 0.513950338883} H10 25 1 1 {} {0.46853194058 0.621276600212 0.314396344265} H11 26 1 1 {} {0.23145859997 0.576543066029 0.63850420275} H12 27 1 1 {} {0.204326406104 0.560479055122 0.48659175888} H13 28 1 1 {} {0.184326134005 0.372870280309 0.714126273843} H14 29 1 1 {} {0.222582177666 0.475151058223 0.76587395459} H15 30 1 1 {} {0.257370247941 0.350048031162 0.523175059203} H16 31 1 1 {} {0.176486097399 0.341851931935 0.543926615787} H17 32 1 1 {} {0.234992598682 0.422391006743 0.370840258296} H18 33 1 1 {} {0.179960800021 0.431124361733 0.384702567984} H19 34 1 1 {} {0.139835278712 0.534585204887 0.73501832121} H20 35 1 1 {} {0.112566516293 0.471257295346 0.686433160067} H21 36 1 6 {} {0.628942210858 0.636434272459 0.349731294738} C4 37 1 14 {} {0.585856337301 0.573915039849 0.387126994677} Si6 38 1 14 {} {0.623299384876 0.724908639411 0.386204134845} Si7 39 1 8 {} {0.53557589832 0.609552438801 0.381714688753} O5 40 1 8 {} {0.586624727985 0.509429134197 0.320030487765} O6 41 1 6 {} {0.596904939124 0.541958233326 0.5020207334} C5 42 1 6 {} {0.641448411734 0.741972088752 0.50342735375} C6 43 1 8 {} {0.568446307649 0.739747508787 0.374663874659} O7 44 1 8 {} {0.651156514981 0.774217185155 0.316396555189} O8 45 1 14 {} {0.580223751389 0.449027386514 0.247123053351} Si8 46 1 7 {} {0.592718475317 0.370967155821 0.290110302708} N4 47 1 14 {} {0.549104052157 0.314628225556 0.313535041025} Si9 48 1 14 {} {0.647263663486 0.345617267243 0.315338840413} Si10 49 1 7 {} {0.688369232794 0.39171365148 0.264251949786} N5 50 1 7 {} {0.525082216981 0.271454916412 0.226726098935} N6 51 1 1 {} {0.662358926783 0.618090775912 0.368511294124} H22 52 1 1 {} {0.628207899708 0.637223247942 0.27605528503} H23 53 1 1 {} {0.537816968057 0.658603477144 0.376769756654} H24 54 1 1 {} {0.629024468128 0.515387785474 0.504696114228} H25 55 1 1 {} {0.570815898345 0.506406715876 0.522347301792} H26 56 1 1 {} {0.597828018598 0.582470227361 0.551624123561} H27 57 1 1 {} {0.636189625563 0.794744891436 0.521604625188} H28 58 1 1 {} {0.677041813748 0.730575984536 0.512805481386} H29 59 1 1 {} {0.622472070495 0.711417894239 0.551186502153} H30 60 1 1 {} {0.558018424645 0.785611324469 0.3718161175} H31 61 1 1 {} {0.668982336936 0.809984367174 0.341498172096} H32 62 1 1 {} {0.532569428136 0.447143599799 0.218386485568} H33 63 1 1 {} {0.609429826931 0.465114379975 0.169602623792} H34 64 1 1 {} {0.56906335744 0.263961487906 0.374804647784} H35 65 1 1 {} {0.512360498306 0.352632925264 0.35685643258} H36 66 1 1 {} {0.656561045971 0.351668949646 0.412849090049} H37 67 1 1 {} {0.651048842484 0.274189115285 0.287283904195} H38 68 1 1 {} {0.701544226281 0.432607540644 0.294532355723} H39 69 1 1 {} {0.691314265824 0.394782291655 0.196878804857} H40 70 1 1 {} {0.503027442761 0.294874819162 0.185727772666} H41 71 1 1 {} {0.542621805928 0.236116039173 0.192816653416} 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