#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 {} {0.202493655865 0.529217150852 0.305636254457} C1 1 1 14 {} {0.256416665719 0.49220086093 0.26384853345} Si1 2 1 14 {} {0.155813609732 0.537656915907 0.224635901173} Si2 3 1 8 {} {0.269014430681 0.525295273673 0.16603705565} O1 4 1 8 {} {0.296459907706 0.512373679663 0.334704850284} O2 5 1 6 {} {0.254478236296 0.399028059453 0.256828693062} C2 6 1 6 {} {0.124263399367 0.457969184707 0.206920658964} C3 7 1 8 {} {0.180323995831 0.563427007172 0.130331446823} O3 8 1 8 {} {0.120493137897 0.598789499828 0.251682106575} O4 9 1 14 {} {0.347913932267 0.541396599001 0.339874786459} Si3 10 1 7 {} {0.382677140205 0.478534582346 0.381553072672} N1 11 1 14 {} {0.437100630924 0.476915458321 0.340715087323} Si4 12 1 14 {} {0.362292051908 0.42429471723 0.464279642306} Si5 13 1 7 {} {0.333129632395 0.462058420106 0.549707850919} N2 14 1 7 {} {0.459086083711 0.556617524934 0.346908452673} N3 15 1 1 {} {0.190893284254 0.500571510134 0.364092997373} H1 16 1 1 {} {0.210369727394 0.580043550379 0.329785633454} H2 17 1 1 {} {0.243514282279 0.545437644348 0.135246799612} H3 18 1 1 {} {0.249321047226 0.376000657626 0.322631905885} H4 19 1 1 {} {0.286189493552 0.379953872598 0.230088573744} H5 20 1 1 {} {0.227699739768 0.38192484407 0.212161704115} H6 21 1 1 {} {0.0977500161288 0.464182946983 0.156863230585} H7 22 1 1 {} {0.108729945472 0.440242972425 0.269116893263} H8 23 1 1 {} {0.146669265872 0.418159367181 0.183312961738} H9 24 1 1 {} {0.161820996001 0.586603336048 0.0872133561745} H10 25 1 1 {} {0.0920961571294 0.586436499084 0.277682447755} H11 26 1 1 {} {0.364296876966 0.561392430087 0.250055070753} H12 27 1 1 {} {0.346769482692 0.60021835984 0.400922508269} H13 28 1 1 {} {0.461077639479 0.424487075707 0.393233906869} H14 29 1 1 {} {0.439188829283 0.459606203723 0.24394614205} H15 30 1 1 {} {0.330801141945 0.37514391476 0.424047662853} H16 31 1 1 {} {0.401745731648 0.390022652147 0.503601166204} H17 32 1 1 {} {0.30151225324 0.478564432088 0.538788442854} H18 33 1 1 {} {0.349103402262 0.492492517695 0.593696914115} H19 34 1 1 {} {0.481926591113 0.571593066936 0.300927428426} H20 35 1 1 {} {0.464950288805 0.578840327529 0.406795055029} H21 36 1 6 {} {0.657676061803 0.636664419546 0.507009193582} C4 37 1 14 {} {0.618188619781 0.572818073819 0.459131645253} Si6 38 1 14 {} {0.655308830642 0.72328709009 0.462118826329} Si7 39 1 8 {} {0.615964694008 0.581057645084 0.349470699278} O5 40 1 8 {} {0.637958531339 0.498087286927 0.483470473353} O6 41 1 6 {} {0.561072020709 0.578921590836 0.508221906147} C5 42 1 6 {} {0.607743679328 0.773766698693 0.506894658975} C6 43 1 8 {} {0.651167675122 0.7124884904 0.351639010535} O7 44 1 8 {} {0.70288351011 0.764734186305 0.477786770757} O8 45 1 14 {} {0.648531041047 0.420211944776 0.455542411943} Si8 46 1 7 {} {0.603170785405 0.368017720758 0.473613557539} N4 47 1 14 {} {0.58360156399 0.318808680804 0.385110798161} Si9 48 1 14 {} {0.578500206966 0.364653477047 0.580080929759} Si10 49 1 7 {} {0.613681719474 0.383425813945 0.667086293344} N5 50 1 7 {} {0.618633034263 0.256108183298 0.347812979822} N6 51 1 1 {} {0.653576478935 0.638191984585 0.580093915783} H22 52 1 1 {} {0.691753386355 0.617928184932 0.494558652582} H23 53 1 1 {} {0.628221015341 0.623446107408 0.327602102527} H24 54 1 1 {} {0.561192822433 0.56900258028 0.580376944508} H25 55 1 1 {} {0.538993196287 0.541987988856 0.476427766971} H26 56 1 1 {} {0.546626570516 0.628867889561 0.497338358703} H27 57 1 1 {} {0.606981609151 0.824188616791 0.477483634001} H28 58 1 1 {} {0.609798186368 0.77927574902 0.579847588987} H29 59 1 1 {} {0.575677021499 0.749604986514 0.491715375046} H30 60 1 1 {} {0.659085749936 0.749943705966 0.313698087279} H31 61 1 1 {} {0.703285473701 0.79972194662 0.522474116046} H32 62 1 1 {} {0.66004584217 0.415119223953 0.358770399719} H33 63 1 1 {} {0.687712808208 0.399773783182 0.510351294484} H34 64 1 1 {} {0.541828798625 0.286814178729 0.417954009348} H35 65 1 1 {} {0.575446191156 0.361635372968 0.30551648295} H36 66 1 1 {} {0.541272768385 0.414019412224 0.586317529447} H37 67 1 1 {} {0.561319452887 0.295193400833 0.591787039144} H38 68 1 1 {} {0.62027552896 0.43203058198 0.681951140279} H39 69 1 1 {} {0.640728016349 0.35436237855 0.680188220855} H40 70 1 1 {} {0.643231077714 0.267159887486 0.303499585607} H41 71 1 1 {} {0.628161186461 0.218290586918 0.388990532026} 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