#MD System 2.0 @Title neb0_image08 @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 {} {0.223828676987 0.525223440381 0.340422191905} C1 1 1 14 {} {0.277206665 0.487906647929 0.298597100016} Si1 2 1 14 {} {0.177558855532 0.533877125839 0.259879937698} Si2 3 1 8 {} {0.290406792489 0.519455627761 0.199983004064} O1 4 1 8 {} {0.314735945371 0.51165342241 0.372505421794} O2 5 1 6 {} {0.276268280757 0.394584554079 0.292600467562} C2 6 1 6 {} {0.14618815972 0.454095614428 0.242023248469} C3 7 1 8 {} {0.202209146483 0.560843247392 0.166377308966} O3 8 1 8 {} {0.142185314612 0.59431332555 0.28819985301} O4 9 1 14 {} {0.367023709364 0.536254966525 0.373347375012} Si3 10 1 7 {} {0.398552814571 0.4684026174 0.409878103201} N1 11 1 14 {} {0.446848973285 0.466287407964 0.34671717989} Si4 12 1 14 {} {0.382545762836 0.419198668453 0.499320830521} Si5 13 1 7 {} {0.354373487095 0.457112330932 0.586496256076} N2 14 1 7 {} {0.447669662804 0.55811129395 0.320683100776} N3 15 1 1 {} {0.212726694953 0.496680360659 0.399386596875} H1 16 1 1 {} {0.232574405727 0.575863988288 0.364563917697} H2 17 1 1 {} {0.265361890673 0.5414042133 0.169848612443} H3 18 1 1 {} {0.270977049784 0.371484477648 0.358208314481} H4 19 1 1 {} {0.307955317072 0.37554601349 0.265861207967} H5 20 1 1 {} {0.249549178526 0.377938453896 0.247710757905} H6 21 1 1 {} {0.119653220246 0.460514657664 0.192183373493} H7 22 1 1 {} {0.130573680811 0.436829944858 0.30437384094} H8 23 1 1 {} {0.168269791121 0.413801007499 0.218736964393} H9 24 1 1 {} {0.183274801671 0.582917710168 0.122669634075} H10 25 1 1 {} {0.11379222706 0.581156973772 0.313821726143} H11 26 1 1 {} {0.381897738187 0.556398440089 0.282370024741} H12 27 1 1 {} {0.369281917129 0.595575202715 0.436280749126} H13 28 1 1 {} {0.481744006149 0.438579755691 0.41193685495} H14 29 1 1 {} {0.453859679647 0.430034643585 0.262105499329} H15 30 1 1 {} {0.35057611233 0.366433529803 0.463571598933} H16 31 1 1 {} {0.423171814599 0.386046517761 0.538745510679} H17 32 1 1 {} {0.323148285339 0.475088294496 0.575426932854} H18 33 1 1 {} {0.370106417972 0.48871195653 0.629520489672} H19 34 1 1 {} {0.483771101461 0.565169298916 0.316623038906} H20 35 1 1 {} {0.430093949892 0.589336345482 0.38032060384} H21 36 1 6 {} {0.649623951277 0.643178597854 0.472740574474} C4 37 1 14 {} {0.608393563544 0.580286835043 0.436377696116} Si6 38 1 14 {} {0.636966274412 0.729056036655 0.425730381318} Si7 39 1 8 {} {0.589839931289 0.589031473869 0.335227423765} O5 40 1 8 {} {0.624124748034 0.502404494918 0.448206230606} O6 41 1 6 {} {0.559378172507 0.583471299794 0.514690423165} C5 42 1 6 {} {0.586661641729 0.776734079158 0.470964105558} C6 43 1 8 {} {0.6307547276 0.717156464303 0.315955746465} O7 44 1 8 {} {0.683093143086 0.776332819004 0.438994886567} O8 45 1 14 {} {0.628311207276 0.423695024429 0.421166518954} Si8 46 1 7 {} {0.581492425548 0.371992763922 0.437879139289} N4 47 1 14 {} {0.561960791527 0.322917909603 0.350698688303} Si9 48 1 14 {} {0.557370994064 0.36786142572 0.54658622531} Si10 49 1 7 {} {0.593665008746 0.386760879142 0.631843505051} N5 50 1 7 {} {0.596115926592 0.259913784843 0.311689758548} N6 51 1 1 {} {0.63885952241 0.64424712652 0.54297781375} H22 52 1 1 {} {0.68599408745 0.633371934071 0.465982371804} H23 53 1 1 {} {0.601818989032 0.624222750747 0.297313199166} H24 54 1 1 {} {0.563822495347 0.5934777995 0.587119354361} H25 55 1 1 {} {0.553298626679 0.529248193927 0.497574901152} H26 56 1 1 {} {0.535069752398 0.616893711222 0.483867932514} H27 57 1 1 {} {0.585448106818 0.827536719775 0.441512380107} H28 58 1 1 {} {0.588269953208 0.783211452348 0.543951893276} H29 59 1 1 {} {0.554200591983 0.753275266749 0.455714171702} H30 60 1 1 {} {0.636869477435 0.753983924888 0.275883656128} H31 61 1 1 {} {0.682208335719 0.807444792684 0.488422457944} H32 62 1 1 {} {0.638274341361 0.41769024475 0.322470294082} H33 63 1 1 {} {0.667102730293 0.401219059648 0.475459003216} H34 64 1 1 {} {0.519874575613 0.29024672749 0.383137460651} H35 65 1 1 {} {0.553458980164 0.365859681757 0.27064689308} H36 66 1 1 {} {0.520750703068 0.417874858077 0.557929459584} H37 67 1 1 {} {0.539502774023 0.298329035186 0.556673482499} H38 68 1 1 {} {0.598226824849 0.434817369631 0.647377194046} H39 69 1 1 {} {0.620084289672 0.358429246875 0.646348347967} H40 70 1 1 {} {0.620971858753 0.270961135188 0.267440635178} H41 71 1 1 {} {0.605856818113 0.221335934183 0.351956244396} 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