#MD System 2.0 @Title neb0_image09 @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 {} {0.223281106875 0.525362369315 0.339332183987} C1 1 1 14 {} {0.277261951478 0.488402684995 0.297514874106} Si1 2 1 14 {} {0.176593675918 0.533875871307 0.258343090419} Si2 3 1 8 {} {0.28984136368 0.521576161353 0.199717934299} O1 4 1 8 {} {0.317150822676 0.508676426284 0.368485131349} O2 5 1 6 {} {0.275257468678 0.39519135403 0.290459416005} C2 6 1 6 {} {0.145055941775 0.454146509575 0.240573105767} C3 7 1 8 {} {0.201088363332 0.559701064685 0.164050584021} O3 8 1 8 {} {0.141236698744 0.595014392357 0.285207184119} O4 9 1 14 {} {0.368750633947 0.537502168766 0.373485671231} Si3 10 1 7 {} {0.403443985388 0.474614157195 0.41539828967} N1 11 1 14 {} {0.45726636492 0.473084812331 0.373487722351} Si4 12 1 14 {} {0.383074509419 0.420529372614 0.497806372088} Si5 13 1 7 {} {0.353919020922 0.458329638249 0.583411418788} N2 14 1 7 {} {0.476594588529 0.551746695639 0.376195502112} N3 15 1 1 {} {0.21168032489 0.496757676108 0.397820140284} H1 16 1 1 {} {0.231116109997 0.576187365074 0.363519872637} H2 17 1 1 {} {0.264286289286 0.541581487199 0.168992633678} H3 18 1 1 {} {0.270106967095 0.372246248413 0.356345272366} H4 19 1 1 {} {0.306987032007 0.376204869232 0.263684143281} H5 20 1 1 {} {0.248487367818 0.378091389296 0.245768516363} H6 21 1 1 {} {0.118540306291 0.460315046617 0.190527672613} H7 22 1 1 {} {0.129528327787 0.436384275643 0.302756116252} H8 23 1 1 {} {0.167471128457 0.414345784449 0.216953583553} H9 24 1 1 {} {0.182616311711 0.582777040737 0.120829878756} H10 25 1 1 {} {0.112873709539 0.582659392411 0.31129952678} H11 26 1 1 {} {0.38505452928 0.557560896483 0.2836516356} H12 27 1 1 {} {0.367546463773 0.596446751514 0.434634654924} H13 28 1 1 {} {0.481867917511 0.420869160485 0.426869140635} H14 29 1 1 {} {0.460025967359 0.455721433439 0.277556980742} H15 30 1 1 {} {0.351550612267 0.371288892456 0.457764237324} H16 31 1 1 {} {0.42252021297 0.386216655268 0.537303150596} H17 32 1 1 {} {0.322300830417 0.474752224283 0.572462065699} H18 33 1 1 {} {0.369937547857 0.488659050934 0.627415773121} H19 34 1 1 {} {0.502568700539 0.567934966361 0.334345546129} H20 35 1 1 {} {0.483577229603 0.575805199496 0.438704323573} H21 36 1 6 {} {0.637002091581 0.640432235108 0.473242262328} C4 37 1 14 {} {0.597383632619 0.576882094112 0.42631537292} Si6 38 1 14 {} {0.634555423595 0.72703967884 0.428591500504} Si7 39 1 8 {} {0.595029085192 0.584826821572 0.315673163585} O5 40 1 8 {} {0.617101856907 0.501806671644 0.44967281861} O6 41 1 6 {} {0.542984252061 0.583508671642 0.478159346501} C5 42 1 6 {} {0.586960889061 0.7775700018 0.473207522783} C6 43 1 8 {} {0.630223543174 0.716331422715 0.317997551062} O7 44 1 8 {} {0.682162896989 0.76846312685 0.444176982315} O8 45 1 14 {} {0.627718252528 0.424028500843 0.421762765024} Si8 46 1 7 {} {0.582415750779 0.371840686013 0.440193374315} N4 47 1 14 {} {0.562842699695 0.322468082799 0.351383468445} Si9 48 1 14 {} {0.557588948727 0.368490859671 0.546132635854} Si10 49 1 7 {} {0.593044964572 0.387263357906 0.633478422795} N5 50 1 7 {} {0.597863051165 0.259928277223 0.314178780107} N6 51 1 1 {} {0.632742600559 0.641972599351 0.546410316667} H22 52 1 1 {} {0.670994384844 0.621684959717 0.460914949476} H23 53 1 1 {} {0.607447847684 0.627303446526 0.293969186069} H24 54 1 1 {} {0.540741429126 0.572999917218 0.546996768648} H25 55 1 1 {} {0.521039699 0.544773294659 0.444851012934} H26 56 1 1 {} {0.526043467689 0.632839538639 0.463773380745} H27 57 1 1 {} {0.586209071968 0.827980601942 0.443847180964} H28 58 1 1 {} {0.589021758172 0.783063498036 0.546160590996} H29 59 1 1 {} {0.554892009857 0.753376622598 0.458028506124} H30 60 1 1 {} {0.638265414736 0.753738302453 0.280088895062} H31 61 1 1 {} {0.682506562029 0.803498787474 0.488794407255} H32 62 1 1 {} {0.639266032047 0.418928670485 0.325091226708} H33 63 1 1 {} {0.666902160966 0.403609450156 0.476631440886} H34 64 1 1 {} {0.521071105175 0.290576064369 0.384314379856} H35 65 1 1 {} {0.554670789548 0.365470518165 0.271860888286} H36 66 1 1 {} {0.520624233001 0.417849641876 0.552815077604} H37 67 1 1 {} {0.540518540561 0.299097112826 0.558190636758} H38 68 1 1 {} {0.599502238856 0.435876763072 0.64838892885} H39 69 1 1 {} {0.619964003104 0.358130893891 0.64653562846} H40 70 1 1 {} {0.622494482499 0.270959415234 0.269913313348} H41 71 1 1 {} {0.607422302998 0.22213288368 0.355392100746} 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