#MD System 2.0 @Title neb0_image09 @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 {} {0.224026464275 0.52525287548 0.340499332925} C1 1 1 14 {} {0.27801404092 0.488330339991 0.298816961067} Si1 2 1 14 {} {0.17737309456 0.533696285071 0.259525310016} Si2 3 1 8 {} {0.29052898719 0.521232882402 0.200848708211} O1 4 1 8 {} {0.317805239109 0.508743482758 0.369749235077} O2 5 1 6 {} {0.276026104019 0.395087073701 0.291715031233} C2 6 1 6 {} {0.145801932982 0.453994654579 0.241775557739} C3 7 1 8 {} {0.201859472961 0.559753907974 0.165331644944} O3 8 1 8 {} {0.141982882982 0.594747692953 0.286524599349} O4 9 1 14 {} {0.369331636094 0.537711054441 0.374395800948} Si3 10 1 7 {} {0.402778924691 0.473774357745 0.41739938197} N1 11 1 14 {} {0.455253162495 0.470382933566 0.370215733774} Si4 12 1 14 {} {0.383451169253 0.419899076506 0.499982447631} Si5 13 1 7 {} {0.354641518031 0.458248347414 0.584701875123} N2 14 1 7 {} {0.46741466012 0.555916719894 0.362015143163} N3 15 1 1 {} {0.212445533878 0.496617424048 0.398976950216} H1 16 1 1 {} {0.231910358918 0.576075911908 0.364682831043} H2 17 1 1 {} {0.26504794599 0.541449667963 0.170134809579} H3 18 1 1 {} {0.270865607728 0.372055649248 0.357522060807} H4 19 1 1 {} {0.307735945674 0.375994131237 0.264983609889} H5 20 1 1 {} {0.249247036248 0.377972033327 0.24704113008} H6 21 1 1 {} {0.1192845141 0.460216280434 0.191722628938} H7 22 1 1 {} {0.130276439778 0.436279870398 0.303993845244} H8 23 1 1 {} {0.168211784644 0.414186955642 0.218191308068} H9 24 1 1 {} {0.183328674131 0.582683204206 0.122055226311} H10 25 1 1 {} {0.113611915514 0.582420557087 0.312618690679} H11 26 1 1 {} {0.385562128051 0.557311165269 0.284840994276} H12 27 1 1 {} {0.368374300521 0.596147273383 0.435805741187} H13 28 1 1 {} {0.482331865976 0.422609797837 0.426471057866} H14 29 1 1 {} {0.460589777616 0.452762903376 0.27517377494} H15 30 1 1 {} {0.35227884822 0.370995680957 0.459191797784} H16 31 1 1 {} {0.423313032815 0.38604966355 0.538382033691} H17 32 1 1 {} {0.323050834777 0.4745502312 0.573700169038} H18 33 1 1 {} {0.370629899716 0.488505889694 0.628666205962} H19 34 1 1 {} {0.499043583619 0.565949370123 0.334767081009} H20 35 1 1 {} {0.470819696289 0.576518795119 0.423409953051} H21 36 1 6 {} {0.638069061811 0.641639504441 0.471991514929} C4 37 1 14 {} {0.600791655396 0.578354763014 0.426123791459} Si6 38 1 14 {} {0.633973362822 0.727431000099 0.427098331212} Si7 39 1 8 {} {0.593422781711 0.585409668293 0.316776078174} O5 40 1 8 {} {0.616644073629 0.501629769271 0.448115215847} O6 41 1 6 {} {0.547757773064 0.587224090375 0.486706493404} C5 42 1 6 {} {0.586242638851 0.77761381206 0.471969111107} C6 43 1 8 {} {0.629567984804 0.716314705956 0.316696434009} O7 44 1 8 {} {0.681390906876 0.768812345824 0.442861395263} O8 45 1 14 {} {0.627025940857 0.423815284788 0.420602887623} Si8 46 1 7 {} {0.581675069232 0.371949296108 0.438838149062} N4 47 1 14 {} {0.562197815674 0.322570390316 0.350278497078} Si9 48 1 14 {} {0.557091770026 0.368454420807 0.545463296313} Si10 49 1 7 {} {0.592475381701 0.387321634349 0.631933785024} N5 50 1 7 {} {0.597103638405 0.25996093827 0.312801264497} N6 51 1 1 {} {0.632005964273 0.641906381022 0.544493695672} H22 52 1 1 {} {0.67151971825 0.622467946876 0.45975305711} H23 53 1 1 {} {0.606243919607 0.626887159485 0.293186790096} H24 54 1 1 {} {0.542762642425 0.574842680352 0.557216827425} H25 55 1 1 {} {0.535207906983 0.541580469444 0.45624818841} H26 56 1 1 {} {0.527930820282 0.630741361066 0.465360770421} H27 57 1 1 {} {0.58546663159 0.828095415533 0.442556786283} H28 58 1 1 {} {0.588254846266 0.783213507204 0.5449263681} H29 59 1 1 {} {0.55412757642 0.753594312599 0.456839670806} H30 60 1 1 {} {0.63748891037 0.753817023015 0.278829684489} H31 61 1 1 {} {0.681743800511 0.803737808608 0.48756989839} H32 62 1 1 {} {0.638491900588 0.41909997287 0.32382027361} H33 63 1 1 {} {0.666183690371 0.403830579737 0.475465651667} H34 64 1 1 {} {0.520364429388 0.290704240321 0.38308020945} H35 65 1 1 {} {0.553915019802 0.36558735641 0.2708726841} H36 66 1 1 {} {0.520154813444 0.418006316188 0.553002521189} H37 67 1 1 {} {0.539735236974 0.29911634103 0.557038622188} H38 68 1 1 {} {0.598729302866 0.435888604596 0.647244404722} H39 69 1 1 {} {0.619345735303 0.358268350609 0.645582913789} H40 70 1 1 {} {0.621716675678 0.271112301213 0.2685837569} H41 71 1 1 {} {0.606609438454 0.222179088412 0.354050431639} 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