#MD System 2.0 @Title neb0_image07 @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 {} {0.218557478535 0.52627578639 0.331579993788} C1 1 1 14 {} {0.272390874464 0.489199584978 0.289651502642} Si1 2 1 14 {} {0.171882322103 0.534780688681 0.250723750136} Si2 3 1 8 {} {0.285029585114 0.522007574214 0.191674596613} O1 4 1 8 {} {0.312071635196 0.510006893815 0.360877915801} O2 5 1 6 {} {0.270545194264 0.396002650011 0.282963622505} C2 6 1 6 {} {0.14035836776 0.455047083302 0.232906246138} C3 7 1 8 {} {0.196318217935 0.560878944388 0.156452048253} O3 8 1 8 {} {0.136460517568 0.595760169283 0.27790434354} O4 9 1 14 {} {0.363612367618 0.538566235889 0.365564971193} Si3 10 1 7 {} {0.397727455454 0.474604079168 0.406812372651} N1 11 1 14 {} {0.451206547029 0.473402796019 0.361765025972} Si4 12 1 14 {} {0.377960209679 0.420776787665 0.490888761499} Si5 13 1 7 {} {0.349013934757 0.459009374236 0.576337590232} N2 14 1 7 {} {0.467976928574 0.556183340248 0.361077935072} N3 15 1 1 {} {0.206960580311 0.497674238988 0.390076532783} H1 16 1 1 {} {0.22646695451 0.577089086172 0.355740728702} H2 17 1 1 {} {0.259582838567 0.542458969807 0.161144681131} H3 18 1 1 {} {0.26536186434 0.372973897293 0.34876632634} H4 19 1 1 {} {0.302263569231 0.377004209158 0.256156609093} H5 20 1 1 {} {0.24377110314 0.379023167521 0.238177904484} H6 21 1 1 {} {0.113828301841 0.46125074409 0.182866322885} H7 22 1 1 {} {0.124806517141 0.437370715491 0.295123032357} H8 23 1 1 {} {0.162726284783 0.415160724689 0.209356366625} H9 24 1 1 {} {0.177797235841 0.583741133704 0.113178732538} H10 25 1 1 {} {0.108112081999 0.583262259753 0.303858600888} H11 26 1 1 {} {0.380085865048 0.558318335473 0.27570657856} H12 27 1 1 {} {0.362949177527 0.597370389712 0.427158706151} H13 28 1 1 {} {0.477090647701 0.424045294112 0.417347197588} H14 29 1 1 {} {0.454361570275 0.452375168143 0.265881825362} H15 30 1 1 {} {0.346571932208 0.37155316239 0.450377175096} H16 31 1 1 {} {0.41785008997 0.387051616688 0.529585756893} H17 32 1 1 {} {0.317439913606 0.475713763004 0.564852087652} H18 33 1 1 {} {0.36509869731 0.489689403253 0.619959534767} H19 34 1 1 {} {0.495470653163 0.566650134329 0.323004348907} H20 35 1 1 {} {0.470307059514 0.577720304355 0.422645187021} H21 36 1 6 {} {0.643973334868 0.640642727963 0.481069198213} C4 37 1 14 {} {0.604531412129 0.576807513499 0.435993238677} Si6 38 1 14 {} {0.6396034847 0.726799302563 0.435842542675} Si7 39 1 8 {} {0.598815980906 0.584654632713 0.326415355212} O5 40 1 8 {} {0.622854765852 0.500875816582 0.45724608227} O6 41 1 6 {} {0.549074575417 0.582721219509 0.490575717212} C5 42 1 6 {} {0.591711827871 0.776604653399 0.480888803713} C6 43 1 8 {} {0.634965483316 0.715419116477 0.325576739345} O7 44 1 8 {} {0.68705139678 0.768254328698 0.451431214959} O8 45 1 14 {} {0.632630294366 0.422772010232 0.42959406036} Si8 46 1 7 {} {0.587111358763 0.370916337258 0.447731497586} N4 47 1 14 {} {0.567587238929 0.321606335189 0.359088067699} Si9 48 1 14 {} {0.562460757114 0.367539836625 0.554250200215} Si10 49 1 7 {} {0.597957534886 0.386323308692 0.640754415224} N5 50 1 7 {} {0.602449865055 0.258813191822 0.321424100282} N6 51 1 1 {} {0.637964917009 0.64108186804 0.553628887622} H22 52 1 1 {} {0.678099976188 0.622102842232 0.469055433066} H23 53 1 1 {} {0.611555118228 0.625916859243 0.301967434867} H24 54 1 1 {} {0.549216119109 0.575348667187 0.563585751103} H25 55 1 1 {} {0.531030400275 0.540906883714 0.459138290199} H26 56 1 1 {} {0.53244978366 0.630246115331 0.474662817945} H27 57 1 1 {} {0.590983561189 0.827031671183 0.451452736922} H28 58 1 1 {} {0.593760334279 0.782249037491 0.553809400144} H29 59 1 1 {} {0.559595484047 0.752591878278 0.465718688539} H30 60 1 1 {} {0.642944476862 0.752778010916 0.2874999226} H31 61 1 1 {} {0.687254837325 0.802969691712 0.496513354316} H32 62 1 1 {} {0.643983715795 0.418063840963 0.332675939829} H33 63 1 1 {} {0.671807697485 0.402682233912 0.484473779367} H34 64 1 1 {} {0.525838036993 0.289676469286 0.392090564762} H35 65 1 1 {} {0.55941996919 0.364662538741 0.279545316134} H36 66 1 1 {} {0.525443954345 0.416940212703 0.561431365866} H37 67 1 1 {} {0.545267300324 0.298089685324 0.565900790818} H38 68 1 1 {} {0.604150759013 0.435002196629 0.656190344282} H39 69 1 1 {} {0.624869532802 0.357151911969 0.654390929603} H40 70 1 1 {} {0.627161427267 0.269999027268 0.277432294416} H41 71 1 1 {} {0.612086562741 0.221062270447 0.362617918413} 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