#MD System 2.0 @Title neb0_image02 @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 {} {0.351089251224 0.555076444759 0.421941270006} C1 1 1 14 {} {0.332033886335 0.522046123303 0.532985519626} Si1 2 1 14 {} {0.406322547132 0.597221886226 0.417718279163} Si2 3 1 8 {} {0.335328673222 0.582272136104 0.608238666279} O1 4 1 8 {} {0.279091714865 0.500017458748 0.524985383612} O2 5 1 6 {} {0.363692845315 0.446083774515 0.568365099421} C2 6 1 6 {} {0.455416962247 0.539622316127 0.411442242098} C3 7 1 8 {} {0.407931255684 0.641632170219 0.512790922354} O3 8 1 8 {} {0.406641404868 0.648142747256 0.329971598067} O4 9 1 14 {} {0.226792175763 0.505661138666 0.555590868945} Si3 10 1 7 {} {0.207162696683 0.426946999051 0.587035643825} N1 11 1 14 {} {0.171140394061 0.422671848859 0.678928128053} Si4 12 1 14 {} {0.222775101474 0.356948239724 0.523007545593} Si5 13 1 7 {} {0.223977645922 0.369254105412 0.409378006766} N2 14 1 7 {} {0.123599320152 0.470962663777 0.671788384933} N3 15 1 1 {} {0.35065966119 0.514651301621 0.371885632631} H1 16 1 1 {} {0.32615605571 0.592218924479 0.399885888542} H2 17 1 1 {} {0.359109809812 0.614483194929 0.595120613911} H3 18 1 1 {} {0.360373232011 0.405086201482 0.519871190449} H4 19 1 1 {} {0.351035265432 0.428019851878 0.632874095285} H5 20 1 1 {} {0.399402377863 0.457090665523 0.576629077767} H6 21 1 1 {} {0.487193732949 0.567265788011 0.410676144279} H7 22 1 1 {} {0.453995472567 0.509030656498 0.350477570738} H8 23 1 1 {} {0.456384641461 0.505451976629 0.468867974397} H9 24 1 1 {} {0.433183478657 0.670985367069 0.523075062373} H10 25 1 1 {} {0.43501473769 0.656878549255 0.301110993519} H11 26 1 1 {} {0.221041754052 0.551349522207 0.633581980091} H12 27 1 1 {} {0.201305903528 0.532273880941 0.477870747606} H13 28 1 1 {} {0.158275621383 0.35098311836 0.687083325843} H14 29 1 1 {} {0.1941983868 0.447043745694 0.760794367422} H15 30 1 1 {} {0.26869434154 0.335290022485 0.547961561169} H16 31 1 1 {} {0.189640924635 0.303570268554 0.543382636236} H17 32 1 1 {} {0.250419799714 0.393341366828 0.381511243021} H18 33 1 1 {} {0.195501147719 0.380035980154 0.375478791482} H19 34 1 1 {} {0.123445910248 0.518598634498 0.695477763272} H20 35 1 1 {} {0.100959953726 0.465030148869 0.621980453956} H21 36 1 6 {} {0.590858638138 0.327610710377 0.309983437105} C4 37 1 14 {} {0.586077317829 0.361098332045 0.426982498304} Si6 38 1 14 {} {0.574912857868 0.238543843768 0.29202850894} Si7 39 1 8 {} {0.614702261703 0.311997946931 0.495025417535} O5 40 1 8 {} {0.608736709735 0.436100142517 0.431988170645} O6 41 1 6 {} {0.526828041314 0.36987358031 0.463591235509} C5 42 1 6 {} {0.514025912834 0.227855503049 0.268428188359} C6 43 1 8 {} {0.590154706272 0.199859166228 0.386302509048} O7 44 1 8 {} {0.604665333155 0.201644822682 0.212100971933} O8 45 1 14 {} {0.652456587374 0.480990267206 0.460672310528} Si8 46 1 7 {} {0.636973918049 0.562075401168 0.487743940255} N4 47 1 14 {} {0.6432551977 0.589683626971 0.598000451529} Si9 48 1 14 {} {0.613054584318 0.615707527718 0.408385848779} Si10 49 1 7 {} {0.624063802395 0.596463008335 0.299208452763} N5 50 1 7 {} {0.696372602734 0.609641659969 0.634484837346} N6 51 1 1 {} {0.571442070415 0.359381768809 0.264022631482} H22 52 1 1 {} {0.626193070159 0.33273526509 0.290399100838} H23 53 1 1 {} {0.613171757308 0.264925967278 0.477478956037} H24 54 1 1 {} {0.507714407907 0.402850956907 0.419011213588} H25 55 1 1 {} {0.525597780253 0.391327348346 0.53110627378} H26 56 1 1 {} {0.510030050368 0.320972235602 0.465917371486} H27 57 1 1 {} {0.50471681055 0.174740682418 0.263813740433} H28 58 1 1 {} {0.504736182176 0.252024281019 0.205089940686} H29 59 1 1 {} {0.493606772863 0.25073195772 0.321204550024} H30 60 1 1 {} {0.592926918479 0.151541089309 0.384028233118} H31 61 1 1 {} {0.591430642641 0.197517369834 0.153472801231} H32 62 1 1 {} {0.674479614535 0.452242237763 0.541297254152} H33 63 1 1 {} {0.684146604843 0.480613115903 0.383972030501} H34 64 1 1 {} {0.615931183979 0.651820658047 0.604665037927} H35 65 1 1 {} {0.627078575029 0.536761985748 0.659734931343} H36 66 1 1 {} {0.563244985599 0.614978914406 0.416331390432} H37 67 1 1 {} {0.630028104583 0.684569813253 0.426692103973} H38 68 1 1 {} {0.607724087156 0.558029233267 0.268987340916} H39 69 1 1 {} {0.655803073472 0.600004125559 0.274732774948} H40 70 1 1 {} {0.717548140629 0.572398110711 0.652199749975} H41 71 1 1 {} {0.713154582568 0.648574452206 0.607237425536} 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