#MD System 2.0 @Title neb0_image08 @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 {} {0.371318666973 0.581358411374 0.411359456879} C1 1 1 14 {} {0.348304029755 0.554435316155 0.521655838341} Si1 2 1 14 {} {0.432484451783 0.590336829 0.407249019881} Si2 3 1 8 {} {0.361505867356 0.611180596689 0.597972969133} O1 4 1 8 {} {0.293484562366 0.552596061102 0.514926146874} O2 5 1 6 {} {0.367280791607 0.469209985018 0.556679758734} C2 6 1 6 {} {0.459469755906 0.50543698889 0.392911423533} C3 7 1 8 {} {0.446107245828 0.626165888989 0.504715370941} O3 8 1 8 {} {0.445281084588 0.643077845641 0.325756801485} O4 9 1 14 {} {0.243009273166 0.557081220796 0.55620489354} Si3 10 1 7 {} {0.223340178368 0.479115588629 0.590345907454} N1 11 1 14 {} {0.200870705046 0.470837464072 0.697745596788} Si4 12 1 14 {} {0.223870029654 0.411456894024 0.515227078631} Si5 13 1 7 {} {0.217804534571 0.43247857436 0.404749302612} N2 14 1 7 {} {0.150427878229 0.509812862291 0.718075342295} N3 15 1 1 {} {0.361700994423 0.545322643017 0.359098999138} H1 16 1 1 {} {0.355988053951 0.62956948891 0.394309812711} H2 17 1 1 {} {0.391373143903 0.629512543634 0.588176413843} H3 18 1 1 {} {0.35863884638 0.430608298993 0.507263072015} H4 19 1 1 {} {0.351533561567 0.455393215818 0.620345333483} H5 20 1 1 {} {0.403593725795 0.467942499064 0.566527652133} H6 21 1 1 {} {0.495112475816 0.513625605457 0.390049023441} H7 22 1 1 {} {0.451192225823 0.482631410641 0.327048231406} H8 23 1 1 {} {0.453888169109 0.47048933173 0.449235179646} H9 24 1 1 {} {0.4767233788 0.640235826066 0.512723102708} H10 25 1 1 {} {0.476187405344 0.644278136465 0.307870271703} H11 26 1 1 {} {0.241298064512 0.601412123737 0.636382242744} H12 27 1 1 {} {0.214121181765 0.5853289627 0.484524895327} H13 28 1 1 {} {0.194192109141 0.397678080927 0.712129373924} H14 29 1 1 {} {0.232448093084 0.499985294284 0.763885117369} H15 30 1 1 {} {0.267163171719 0.374804025478 0.521087110593} H16 31 1 1 {} {0.186292193852 0.366765306888 0.541842932785} H17 32 1 1 {} {0.244801665439 0.447251829579 0.368810383027} H18 33 1 1 {} {0.189829423875 0.45602050332 0.382693171886} H19 34 1 1 {} {0.149676691181 0.559413798234 0.732911801218} H20 35 1 1 {} {0.12244278712 0.496078861663 0.684408482681} H21 36 1 6 {} {0.621751452353 0.612296113037 0.351114483217} C4 37 1 14 {} {0.579159672548 0.550574258313 0.389073780519} Si6 38 1 14 {} {0.613968779536 0.700205895086 0.388388735373} Si7 39 1 8 {} {0.532738066014 0.595293572307 0.383733825675} O5 40 1 8 {} {0.577026021181 0.485486351981 0.322145599079} O6 41 1 6 {} {0.587601701552 0.516905592334 0.504489828003} C5 42 1 6 {} {0.631602327249 0.717177527893 0.505555217696} C6 43 1 8 {} {0.559061156377 0.71638445472 0.37679044164} O7 44 1 8 {} {0.641153471499 0.749676199513 0.31843231845} O8 45 1 14 {} {0.570403624547 0.42447281951 0.249291709704} Si8 46 1 7 {} {0.582854221748 0.346262491182 0.292243304969} N4 47 1 14 {} {0.539262295378 0.289997943874 0.315881897898} Si9 48 1 14 {} {0.637472906572 0.320861598913 0.317402398619} Si10 49 1 7 {} {0.678494459783 0.367094528645 0.266235311387} N5 50 1 7 {} {0.515392434205 0.246779931104 0.228571984401} N6 51 1 1 {} {0.655018032363 0.594034384202 0.369727949189} H22 52 1 1 {} {0.61873268149 0.61232810007 0.2777700783} H23 53 1 1 {} {0.535048844264 0.644596809385 0.379346500506} H24 54 1 1 {} {0.619557444348 0.489988724501 0.50806530498} H25 55 1 1 {} {0.560935939793 0.481896731419 0.523644047711} H26 56 1 1 {} {0.588061168464 0.55775285703 0.553623188134} H27 57 1 1 {} {0.626364014156 0.769977217626 0.523665419041} H28 58 1 1 {} {0.667192609975 0.705750480773 0.514801148839} H29 59 1 1 {} {0.612655500675 0.686596606099 0.553302074453} H30 60 1 1 {} {0.548178745072 0.761930668635 0.373670273863} H31 61 1 1 {} {0.659131994231 0.785241702915 0.34337552176} H32 62 1 1 {} {0.522726542455 0.42240173279 0.220476239646} H33 63 1 1 {} {0.599609332582 0.440373214313 0.171760826205} H34 64 1 1 {} {0.559246397048 0.239154794299 0.376834573105} H35 65 1 1 {} {0.502441872215 0.328004334876 0.358956890356} H36 66 1 1 {} {0.646752176193 0.326967812977 0.414944645211} H37 67 1 1 {} {0.64129264536 0.249459149548 0.289271523379} H38 68 1 1 {} {0.691848027797 0.407829933293 0.296553357551} H39 69 1 1 {} {0.681490567074 0.37000944532 0.198872996586} H40 70 1 1 {} {0.493148015313 0.269944541614 0.187821638027} H41 71 1 1 {} {0.532790777249 0.211299428792 0.19481905267} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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