#MD System 2.0 @Title neb0_image01 @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 {} {0.202697221228 0.529815348857 0.304391893661} C1 1 1 14 {} {0.256104267035 0.491253768684 0.263214712288} Si1 2 1 14 {} {0.156066834034 0.537137851798 0.223858958596} Si2 3 1 8 {} {0.26796598784 0.521693913292 0.163614881656} O1 4 1 8 {} {0.297629882058 0.510237022214 0.331588510507} O2 5 1 6 {} {0.25415830586 0.398208390723 0.257497584931} C2 6 1 6 {} {0.12389570876 0.458162766428 0.207011985419} C3 7 1 8 {} {0.180101558513 0.562031555273 0.128908216321} O3 8 1 8 {} {0.121534107629 0.597501095699 0.25530927133} O4 9 1 14 {} {0.34835059515 0.541615348787 0.339538761702} Si3 10 1 7 {} {0.383471289516 0.479641787423 0.382708455815} N1 11 1 14 {} {0.437665204285 0.476318678746 0.341505418126} Si4 12 1 14 {} {0.362815106794 0.424193662797 0.464073754489} Si5 13 1 7 {} {0.332421605115 0.460612630128 0.549253285699} N2 14 1 7 {} {0.460042417603 0.555436925955 0.348989495124} N3 15 1 1 {} {0.190839469807 0.501160111069 0.362521854833} H1 16 1 1 {} {0.211179213178 0.580757449724 0.327370384698} H2 17 1 1 {} {0.243677019628 0.54588487171 0.133148198229} H3 18 1 1 {} {0.24888114882 0.374141085655 0.32232054457} H4 19 1 1 {} {0.285695617892 0.37819418201 0.23141037427} H5 20 1 1 {} {0.227282984313 0.381888678555 0.21292706743} H6 21 1 1 {} {0.0975416823056 0.465540514007 0.156779198652} H7 22 1 1 {} {0.10807001232 0.441463554362 0.269471497759} H8 23 1 1 {} {0.14578675726 0.417643215682 0.183663760757} H9 24 1 1 {} {0.161274243514 0.587123568887 0.0878327050181} H10 25 1 1 {} {0.0922414742848 0.584621736275 0.278956224935} H11 26 1 1 {} {0.364800540989 0.56226996547 0.251573731295} H12 27 1 1 {} {0.346489304097 0.599391017875 0.400173593342} H13 28 1 1 {} {0.460642112678 0.422894531384 0.391912039507} H14 29 1 1 {} {0.439054253832 0.45923202303 0.245219185399} H15 30 1 1 {} {0.331540772738 0.37549339869 0.422831468008} H16 31 1 1 {} {0.402271947267 0.389387053474 0.502572333085} H17 32 1 1 {} {0.301065845566 0.477184184188 0.537430043907} H18 33 1 1 {} {0.347751473031 0.49292972113 0.592538285389} H19 34 1 1 {} {0.482658995132 0.571279014052 0.301786475107} H20 35 1 1 {} {0.466519690335 0.578975680371 0.406328065647} H21 36 1 6 {} {0.657678854598 0.638165114603 0.506895952009} C4 37 1 14 {} {0.618322177122 0.573359571819 0.460784683807} Si6 38 1 14 {} {0.655386298321 0.724219844919 0.460954451706} Si7 39 1 8 {} {0.616639036577 0.580831929696 0.350576820236} O5 40 1 8 {} {0.639897459764 0.499480337381 0.486039879918} O6 41 1 6 {} {0.560725177448 0.578514932432 0.510238783838} C5 42 1 6 {} {0.607596625573 0.774737687415 0.506216780392} C6 43 1 8 {} {0.65526598121 0.711489086779 0.350160349169} O7 44 1 8 {} {0.70173306198 0.768333987887 0.476478393804} O8 45 1 14 {} {0.649112690117 0.42094046499 0.457482300773} Si8 46 1 7 {} {0.603250632557 0.369112272736 0.47420528751} N4 47 1 14 {} {0.58334777048 0.319961346812 0.385698468422} Si9 48 1 14 {} {0.578365571665 0.363523613328 0.579719341297} Si10 49 1 7 {} {0.61302943113 0.382901452474 0.668173612843} N5 50 1 7 {} {0.617738530393 0.257170224416 0.346858122294} N6 51 1 1 {} {0.654395621707 0.639247151872 0.580061843852} H22 52 1 1 {} {0.692014173452 0.62092586339 0.493468555397} H23 53 1 1 {} {0.628227025041 0.623024625124 0.327294647007} H24 54 1 1 {} {0.559414101173 0.570008705141 0.582780199557} H25 55 1 1 {} {0.538718104581 0.541379103426 0.478842257648} H26 56 1 1 {} {0.545622690784 0.627781665215 0.497888862153} H27 57 1 1 {} {0.606592490527 0.825351269358 0.47701761018} H28 58 1 1 {} {0.609988043101 0.780133793183 0.579528135542} H29 59 1 1 {} {0.575189893948 0.750951419648 0.492592357768} H30 60 1 1 {} {0.660363669255 0.750368505688 0.312427246829} H31 61 1 1 {} {0.702868196239 0.801150736279 0.523538844905} H32 62 1 1 {} {0.660169124893 0.415663502183 0.360146674367} H33 63 1 1 {} {0.688348009799 0.399431790528 0.512525098821} H34 64 1 1 {} {0.541412348815 0.288875209741 0.417812696087} H35 65 1 1 {} {0.575241304124 0.362273109916 0.305470465819} H36 66 1 1 {} {0.540014925197 0.411355078953 0.587322366002} H37 67 1 1 {} {0.562414800787 0.292839965682 0.591018243979} H38 68 1 1 {} {0.619586870224 0.432473147879 0.680226378329} H39 69 1 1 {} {0.640631713737 0.355180209463 0.681290498936} H40 70 1 1 {} {0.641584132509 0.267465560481 0.301461386957} H41 71 1 1 {} {0.626606680323 0.217364800484 0.386378404714} 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