#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 {} {0.362139156688 0.525712662173 0.423559292197} C1 1 1 14 {} {0.343308383859 0.492504550007 0.534653710802} Si1 2 1 14 {} {0.416344596607 0.570519605934 0.418402501312} Si2 3 1 8 {} {0.346627064876 0.552758784799 0.609850877168} O1 4 1 8 {} {0.290454926278 0.470414594305 0.526645062959} O2 5 1 6 {} {0.375004033691 0.416578904826 0.569970745213} C2 6 1 6 {} {0.46505632785 0.514669032745 0.411652928018} C3 7 1 8 {} {0.418887518689 0.61267593855 0.515264997509} O3 8 1 8 {} {0.417069728825 0.620593560713 0.329828460496} O4 9 1 14 {} {0.238077347514 0.476098589208 0.557246649069} Si3 10 1 7 {} {0.218468467264 0.397402548983 0.588701292057} N1 11 1 14 {} {0.182437424379 0.393102859105 0.68057100351} Si4 12 1 14 {} {0.234065771912 0.32738757598 0.524693079214} Si5 13 1 7 {} {0.235290457831 0.339705446397 0.411070913286} N2 14 1 7 {} {0.134897685572 0.44139976014 0.673419912935} N3 15 1 1 {} {0.36202809366 0.485263795829 0.373509088969} H1 16 1 1 {} {0.337161649082 0.56260110465 0.401489039974} H2 17 1 1 {} {0.370389978007 0.584954458348 0.596803093366} H3 18 1 1 {} {0.371665624596 0.375553056578 0.521521405993} H4 19 1 1 {} {0.362337025228 0.398500146045 0.634485382871} H5 20 1 1 {} {0.410712231067 0.427529718262 0.578287688965} H6 21 1 1 {} {0.497874816058 0.538847826373 0.41257357281} H7 22 1 1 {} {0.463674122775 0.482250577991 0.352547032257} H8 23 1 1 {} {0.464140973035 0.482388355801 0.470355313555} H9 24 1 1 {} {0.444495054426 0.64151778588 0.524673535158} H10 25 1 1 {} {0.446207879722 0.627500618676 0.303091155682} H11 26 1 1 {} {0.232344518273 0.521804797897 0.635226915328} H12 27 1 1 {} {0.212608885422 0.502720726992 0.479524129225} H13 28 1 1 {} {0.169566521864 0.321418056989 0.688715192577} H14 29 1 1 {} {0.205485695649 0.417477828848 0.762442782149} H15 30 1 1 {} {0.279993009477 0.305739904552 0.549631037952} H16 31 1 1 {} {0.20092694119 0.274015229198 0.545043869939} H17 32 1 1 {} {0.261709453896 0.363805662944 0.383202285633} H18 33 1 1 {} {0.206803286804 0.35047881141 0.377148933366} H19 34 1 1 {} {0.134732437236 0.489018146527 0.697121628166} H20 35 1 1 {} {0.112245823458 0.435477413128 0.623595479238} H21 36 1 6 {} {0.579682199682 0.357098129429 0.30817200995} C4 37 1 14 {} {0.576205247166 0.389243936786 0.425808005026} Si6 38 1 14 {} {0.563622531487 0.268040740503 0.290403630304} Si7 39 1 8 {} {0.605063072742 0.340929773496 0.493804198293} O5 40 1 8 {} {0.59725323603 0.465597716756 0.430295161392} O6 41 1 6 {} {0.517747351009 0.394048263108 0.464188737981} C5 42 1 6 {} {0.502721838125 0.25746046581 0.266792084061} C6 43 1 8 {} {0.578918097325 0.229398833292 0.384640720826} O7 44 1 8 {} {0.593326403938 0.231155020597 0.210479432823} O8 45 1 14 {} {0.641042247933 0.510387201717 0.458994534043} Si8 46 1 7 {} {0.625597145059 0.591487102349 0.486076450422} N4 47 1 14 {} {0.632097994017 0.619288117524 0.596444938712} Si9 48 1 14 {} {0.601730017344 0.645272782113 0.406996791877} Si10 49 1 7 {} {0.61285698973 0.625945783172 0.297343243604} N5 50 1 7 {} {0.68492809242 0.639160435871 0.632875191089} N6 51 1 1 {} {0.56016666263 0.388928967927 0.262440245038} H22 52 1 1 {} {0.614922260132 0.362276746457 0.288519525862} H23 53 1 1 {} {0.602033106967 0.294019391425 0.476059068449} H24 54 1 1 {} {0.500495343052 0.424843118725 0.415646323092} H25 55 1 1 {} {0.514909351798 0.419654158883 0.529101318092} H26 56 1 1 {} {0.499269480237 0.346712416125 0.465893826647} H27 57 1 1 {} {0.493395337237 0.204339160753 0.262171607339} H28 58 1 1 {} {0.493447398652 0.28158063905 0.203412798557} H29 59 1 1 {} {0.482306324585 0.280293841459 0.319595712844} H30 60 1 1 {} {0.581606526018 0.181055637019 0.382431664659} H31 61 1 1 {} {0.580115797112 0.22704358022 0.151779177997} H32 62 1 1 {} {0.663162729594 0.481767693576 0.539660219873} H33 63 1 1 {} {0.672840040233 0.51015261067 0.38233996514} H34 64 1 1 {} {0.604613590202 0.681352731853 0.602957886063} H35 65 1 1 {} {0.615774936392 0.566341837261 0.657994835852} H36 66 1 1 {} {0.551940544564 0.644425597852 0.414611639306} H37 67 1 1 {} {0.618686800415 0.714161232731 0.425062932576} H38 68 1 1 {} {0.596496546538 0.587604105772 0.267316735244} H39 69 1 1 {} {0.644397354412 0.629583704946 0.27315480834} H40 70 1 1 {} {0.706315234924 0.601849353234 0.650583693577} H41 71 1 1 {} {0.701911226226 0.67823704142 0.605517186826} 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