#MD System 2.0 @Title neb0_image05 @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 {} {0.356651384255 0.540565571434 0.422739502044} C1 1 1 14 {} {0.337599747256 0.50754129913 0.533746918431} Si1 2 1 14 {} {0.411723094499 0.583062043945 0.418403102743} Si2 3 1 8 {} {0.34087036666 0.567807546541 0.608995475757} O1 4 1 8 {} {0.284627264878 0.485607394282 0.525816604552} O2 5 1 6 {} {0.369260755434 0.431586785414 0.569164080235} C2 6 1 6 {} {0.460638326865 0.525798455716 0.412103624513} C3 7 1 8 {} {0.413506560673 0.627058716509 0.513672562367} O3 8 1 8 {} {0.41215776159 0.633714224095 0.330579886426} O4 9 1 14 {} {0.232326087839 0.491190436651 0.556402480054} Si3 10 1 7 {} {0.21273057545 0.412434725344 0.587874896886} N1 11 1 14 {} {0.17669520422 0.408134824293 0.679749580912} Si4 12 1 14 {} {0.228331641899 0.34243347634 0.52386610528} Si5 13 1 7 {} {0.229526758224 0.354890839392 0.410304860599} N2 14 1 7 {} {0.129170459653 0.456472466755 0.672553999303} N3 15 1 1 {} {0.356215781395 0.500136481617 0.372685598583} H1 16 1 1 {} {0.331714846406 0.57768564566 0.400711351689} H2 17 1 1 {} {0.364652563732 0.599977863646 0.595952526729} H3 18 1 1 {} {0.365931156788 0.390582003791 0.52067383023} H4 19 1 1 {} {0.356586982408 0.413518398391 0.633661434142} H5 20 1 1 {} {0.404979061112 0.442555539124 0.577440374886} H6 21 1 1 {} {0.492669559315 0.552788420771 0.411563298381} H7 22 1 1 {} {0.459379491704 0.494797283933 0.351444420774} H8 23 1 1 {} {0.461607752113 0.491682952431 0.46946073238} H9 24 1 1 {} {0.438733977785 0.656423016494 0.523869047313} H10 25 1 1 {} {0.440561943675 0.642419472789 0.301998287405} H11 26 1 1 {} {0.226589386841 0.536831607338 0.634419262171} H12 27 1 1 {} {0.206847076496 0.517747767468 0.478683410934} H13 28 1 1 {} {0.163809802068 0.336419003292 0.687868368652} H14 29 1 1 {} {0.199738704949 0.432474154301 0.761616253204} H15 30 1 1 {} {0.27424193181 0.320758831345 0.548802675} H16 31 1 1 {} {0.195195771334 0.28904398477 0.544207274614} H17 32 1 1 {} {0.255980764512 0.378824810015 0.382358554381} H18 33 1 1 {} {0.20105303743 0.365503422277 0.376302326299} H19 34 1 1 {} {0.128996166724 0.504075434778 0.696308421168} H20 35 1 1 {} {0.106510222111 0.450490846921 0.622770272431} H21 36 1 6 {} {0.585304104073 0.342126659631 0.309203867733} C4 37 1 14 {} {0.580589469398 0.375541554256 0.426246053968} Si6 38 1 14 {} {0.569354934958 0.25306767615 0.291247205698} Si7 39 1 8 {} {0.609254001534 0.326561536352 0.494196598301} O5 40 1 8 {} {0.603134551928 0.450684854116 0.431111371729} O6 41 1 6 {} {0.521581956316 0.383706795102 0.46297576158} C5 42 1 6 {} {0.508460776262 0.242403404095 0.267638410914} C6 43 1 8 {} {0.584649327903 0.214390553125 0.38550470202} O7 44 1 8 {} {0.599080856993 0.216014785871 0.211373541835} O8 45 1 14 {} {0.646917015119 0.495521946673 0.459765391587} Si8 46 1 7 {} {0.631367832903 0.57652983748 0.486833868706} N4 47 1 14 {} {0.63792974198 0.604259050768 0.597211217299} Si9 48 1 14 {} {0.607501553828 0.630208046919 0.407978109321} Si10 49 1 7 {} {0.618532729141 0.611098840014 0.298135562666} N5 50 1 7 {} {0.690749680909 0.624040182518 0.633555612512} N6 51 1 1 {} {0.565889562894 0.373863880599 0.263197816848} H22 52 1 1 {} {0.620631643911 0.347236314239 0.289580416785} H23 53 1 1 {} {0.607612974075 0.279456601518 0.476687966461} H24 54 1 1 {} {0.502661794983 0.416396380079 0.418291031785} H25 55 1 1 {} {0.520092321485 0.40571929274 0.530088912519} H26 56 1 1 {} {0.504537572696 0.335143545999 0.465240143999} H27 57 1 1 {} {0.499141788148 0.189296683213 0.263000221683} H28 58 1 1 {} {0.499205670678 0.266549638549 0.204269639267} H29 59 1 1 {} {0.488038917709 0.265280678061 0.32039300091} H30 60 1 1 {} {0.587332886632 0.1660471454 0.383266746202} H31 61 1 1 {} {0.585874825422 0.21200201541 0.15265164884} H32 62 1 1 {} {0.668923885708 0.466756955419 0.540483608394} H33 63 1 1 {} {0.678617339645 0.495136559775 0.383159104918} H34 64 1 1 {} {0.610355631387 0.666337779313 0.603886749742} H35 65 1 1 {} {0.621508886395 0.551269627109 0.658957890635} H36 66 1 1 {} {0.55772133717 0.629428402623 0.415476046221} H37 67 1 1 {} {0.624449741686 0.699096690541 0.425916445276} H38 68 1 1 {} {0.602204821119 0.57244231247 0.268123170409} H39 69 1 1 {} {0.650256903422 0.614531530411 0.273878711418} H40 70 1 1 {} {0.711990633127 0.586907284967 0.651371588952} H41 71 1 1 {} {0.707562321626 0.663035524908 0.606416761371} 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