#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 {} {0.220901603562 0.525815617153 0.335461769795} C1 1 1 14 {} {0.2748546227 0.48882259305 0.293660377726} Si1 2 1 14 {} {0.174228128719 0.534291180709 0.254440183885} Si2 3 1 8 {} {0.287420648365 0.52191633579 0.195842314453} O1 4 1 8 {} {0.314794114451 0.509194210579 0.364556951346} O2 5 1 6 {} {0.272871377433 0.395637177908 0.286600124917} C2 6 1 6 {} {0.142662905999 0.454587684417 0.236715733385} C3 7 1 8 {} {0.198721729457 0.560213283603 0.160190656253} O3 8 1 8 {} {0.138861073573 0.595365294541 0.28137482023} O4 9 1 14 {} {0.366294537849 0.538015884 0.369601561577} Si3 10 1 7 {} {0.400636492133 0.474910006171 0.411652157202} N1 11 1 14 {} {0.453918321577 0.472045377653 0.368336801564} Si4 12 1 14 {} {0.380514444677 0.420990518595 0.494547785231} Si5 13 1 7 {} {0.35149531935 0.458690839184 0.579643861172} N2 14 1 7 {} {0.472367239928 0.554245003583 0.36899942165} N3 15 1 1 {} {0.209293127974 0.497192746707 0.393925233785} H1 16 1 1 {} {0.228749101868 0.57664764989 0.359621780103} H2 17 1 1 {} {0.261902185252 0.542028193992 0.165074390045} H3 18 1 1 {} {0.267712782562 0.372659749975 0.352437200961} H4 19 1 1 {} {0.304585923659 0.376600845451 0.259846157651} H5 20 1 1 {} {0.246094939126 0.378542612979 0.241911749736} H6 21 1 1 {} {0.116150326307 0.46078012558 0.186650885876} H7 22 1 1 {} {0.127126279328 0.43683823652 0.298903880428} H8 23 1 1 {} {0.165068767516 0.414783185488 0.213092193325} H9 24 1 1 {} {0.180201403453 0.583231000383 0.116952918759} H10 25 1 1 {} {0.110476170203 0.583058756099 0.307460358549} H11 26 1 1 {} {0.382644153057 0.558000221544 0.279863356093} H12 27 1 1 {} {0.365182794054 0.596822947983 0.430711468809} H13 28 1 1 {} {0.479497211124 0.421961263445 0.42257878196} H14 29 1 1 {} {0.457622964798 0.455574989383 0.272770449164} H15 30 1 1 {} {0.349220679463 0.371793056538 0.453830117968} H16 31 1 1 {} {0.420140275931 0.38669875944 0.533262298442} H17 32 1 1 {} {0.319938450669 0.475192135711 0.568537312822} H18 33 1 1 {} {0.367512207605 0.489087973929 0.623484472618} H19 34 1 1 {} {0.499030979965 0.567761537605 0.330787539287} H20 35 1 1 {} {0.477691573931 0.576152325353 0.429412999261} H21 36 1 6 {} {0.639733624373 0.640236562527 0.477127287829} C4 37 1 14 {} {0.601133210079 0.576640914228 0.43018372154} Si6 38 1 14 {} {0.636995491648 0.726664642236 0.432365819755} Si7 39 1 8 {} {0.597067350821 0.5845771318 0.320317581942} O5 40 1 8 {} {0.619554109068 0.501337107777 0.453470588426} O6 41 1 6 {} {0.546240193663 0.584113184822 0.48353722102} C5 42 1 6 {} {0.589369310914 0.777107927239 0.477076369419} C6 43 1 8 {} {0.632653747123 0.715838665329 0.321862048249} O7 44 1 8 {} {0.684556456187 0.768059846027 0.448017173828} O8 45 1 14 {} {0.630084493027 0.423404518866 0.425764020369} Si8 46 1 7 {} {0.584777543276 0.371422484133 0.443911397368} N4 47 1 14 {} {0.5653579214 0.321893596655 0.355337562226} Si9 48 1 14 {} {0.560028113725 0.368026487642 0.550060825805} Si10 49 1 7 {} {0.595384781811 0.386784911012 0.637069926925} N5 50 1 7 {} {0.60020569753 0.259340257647 0.317831693142} N6 51 1 1 {} {0.635141771289 0.64149615967 0.550104860251} H22 52 1 1 {} {0.673597285834 0.621374551986 0.464776671739} H23 53 1 1 {} {0.60972939254 0.626694450159 0.297980902977} H24 54 1 1 {} {0.543825948526 0.572863619924 0.554536205205} H25 55 1 1 {} {0.527469416563 0.543746326927 0.452402295398} H26 56 1 1 {} {0.529218574014 0.631539254301 0.468477423539} H27 57 1 1 {} {0.58859493443 0.827547907377 0.447690682675} H28 58 1 1 {} {0.591406545618 0.782637716256 0.550025844774} H29 59 1 1 {} {0.557283347848 0.752985049625 0.461909168085} H30 60 1 1 {} {0.640651496207 0.75327933031 0.283939370895} H31 61 1 1 {} {0.684904058184 0.803081373501 0.4926490276} H32 62 1 1 {} {0.641651347676 0.418547430691 0.328972228421} H33 63 1 1 {} {0.669311494002 0.403264532095 0.480537048853} H34 64 1 1 {} {0.523482412162 0.290211720061 0.388224432987} H35 65 1 1 {} {0.557052581421 0.365019127739 0.275898089956} H36 66 1 1 {} {0.523024003636 0.417457365761 0.557100894761} H37 67 1 1 {} {0.542896161755 0.298602220804 0.562133327515} H38 68 1 1 {} {0.601892984236 0.435406565419 0.652310370746} H39 69 1 1 {} {0.622407054222 0.357686347984 0.650489994722} H40 70 1 1 {} {0.62484587426 0.270552886027 0.273789315878} H41 71 1 1 {} {0.609764269462 0.221711457123 0.359186661943} 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