#MD System 2.0 @Title neb0_image03 @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 {} {0.208057637175 0.528180167116 0.313968893866} C1 1 1 14 {} {0.261903962754 0.490714741567 0.27239273282} Si1 2 1 14 {} {0.161429455039 0.536585747315 0.23319998704} Si2 3 1 8 {} {0.273930713385 0.522133034371 0.17298557701} O1 4 1 8 {} {0.301702584562 0.511467144247 0.342382414327} O2 5 1 6 {} {0.259559062266 0.397515648783 0.266110477367} C2 6 1 6 {} {0.129553689488 0.457138043044 0.21533516151} C3 7 1 8 {} {0.185698806131 0.562668467363 0.138881113703} O3 8 1 8 {} {0.126222417798 0.597570829075 0.261397460768} O4 9 1 14 {} {0.353463270672 0.540809950407 0.349085270433} Si3 10 1 7 {} {0.387926491327 0.477596829587 0.3904264832} N1 11 1 14 {} {0.441749449654 0.47540912195 0.347145884855} Si4 12 1 14 {} {0.36759233335 0.423274096721 0.473150699033} Si5 13 1 7 {} {0.338108746065 0.46051157226 0.55843264355} N2 14 1 7 {} {0.462334252619 0.556047264016 0.351093542141} N3 15 1 1 {} {0.196343105858 0.499833767433 0.372525077968} H1 16 1 1 {} {0.215980514972 0.579126090826 0.337654668432} H2 17 1 1 {} {0.248934960713 0.54428736166 0.143388855971} H3 18 1 1 {} {0.254288071013 0.374260992159 0.331699462732} H4 19 1 1 {} {0.291262493048 0.378480618301 0.239256549571} H5 20 1 1 {} {0.232812306269 0.381072549819 0.221042899221} H6 21 1 1 {} {0.103107235415 0.463693258204 0.16523530777} H7 22 1 1 {} {0.113834760134 0.43974863537 0.277535101608} H8 23 1 1 {} {0.151693271319 0.416907675994 0.191894268788} H9 24 1 1 {} {0.167018574742 0.585827778582 0.0961349745322} H10 25 1 1 {} {0.0976814715835 0.584887291451 0.286524820982} H11 26 1 1 {} {0.369893520016 0.561043201797 0.259626037663} H12 27 1 1 {} {0.352016496209 0.599287015786 0.410316002135} H13 28 1 1 {} {0.466360223235 0.423761113886 0.400453710646} H14 29 1 1 {} {0.443902739335 0.456680081723 0.25099228069} H15 30 1 1 {} {0.336226092043 0.37400464056 0.432427953986} H16 31 1 1 {} {0.407178861209 0.38879515146 0.511899461613} H17 32 1 1 {} {0.306687467663 0.477227583283 0.546883145094} H18 33 1 1 {} {0.354124397728 0.491902323657 0.602203838364} H19 34 1 1 {} {0.487173162581 0.569291413885 0.308271279488} H20 35 1 1 {} {0.466936225489 0.578191340718 0.4112997965} H21 36 1 6 {} {0.653179310006 0.638247158242 0.498260156475} C4 37 1 14 {} {0.613581534648 0.574616077176 0.451606386776} Si6 38 1 14 {} {0.650361856672 0.724761182204 0.453179271189} Si7 39 1 8 {} {0.609223740197 0.582771669909 0.342347408036} O5 40 1 8 {} {0.633748868432 0.499531875004 0.475097389085} O6 41 1 6 {} {0.557289268339 0.579940785815 0.503356598623} C5 42 1 6 {} {0.602511752747 0.774956127831 0.497941454476} C6 43 1 8 {} {0.647035630763 0.713118861691 0.34285397383} O7 44 1 8 {} {0.697785155771 0.766654295712 0.469459150215} O8 45 1 14 {} {0.643171304902 0.421344090229 0.447140431396} Si8 46 1 7 {} {0.598015537013 0.369617674909 0.466619301337} N4 47 1 14 {} {0.578519232994 0.319183053695 0.376241194912} Si9 48 1 14 {} {0.571832546151 0.36481469666 0.568147792241} Si10 49 1 7 {} {0.610505541578 0.38527960059 0.660237316068} N5 50 1 7 {} {0.61209152588 0.257907335808 0.337996100093} N6 51 1 1 {} {0.648626681327 0.639387401982 0.571221568814} H22 52 1 1 {} {0.687304936152 0.62010236228 0.485759384965} H23 53 1 1 {} {0.622551810925 0.624063882728 0.318906908186} H24 54 1 1 {} {0.557022157737 0.571459200385 0.575746467824} H25 55 1 1 {} {0.536595628963 0.541192732879 0.471792147823} H26 56 1 1 {} {0.541873190658 0.629026768021 0.490127845647} H27 57 1 1 {} {0.601615996154 0.825467328762 0.468615126295} H28 58 1 1 {} {0.604584658756 0.780620780135 0.570936863006} H29 59 1 1 {} {0.57033075713 0.750862000561 0.483208383173} H30 60 1 1 {} {0.653944759745 0.751052420479 0.304450066652} H31 61 1 1 {} {0.697906682062 0.801254044491 0.513940916408} H32 62 1 1 {} {0.654609488188 0.416353701135 0.350660017542} H33 63 1 1 {} {0.682613302188 0.401058229175 0.502461925231} H34 64 1 1 {} {0.536338159565 0.288581004806 0.40988232577} H35 65 1 1 {} {0.569953198977 0.36313313479 0.29732414707} H36 66 1 1 {} {0.535552599222 0.414218563859 0.579238148954} H37 67 1 1 {} {0.556330094777 0.295588746059 0.583865369838} H38 68 1 1 {} {0.614264637446 0.432289779499 0.672994917543} H39 69 1 1 {} {0.634519206537 0.356289334018 0.671622962803} H40 70 1 1 {} {0.637344194947 0.268273336474 0.293919034111} H41 71 1 1 {} {0.622254174636 0.218350951902 0.379395771794} 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