#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 {} {0.21292430803 0.527281244018 0.322481705927} C1 1 1 14 {} {0.266847004847 0.49028499966 0.280699508612} Si1 2 1 14 {} {0.166226461131 0.535731818514 0.241507250786} Si2 3 1 8 {} {0.279440318337 0.523322266064 0.182857637524} O1 4 1 8 {} {0.306785629983 0.510597993481 0.351652046895} O2 5 1 6 {} {0.264871337716 0.397096768053 0.273673131542} C2 6 1 6 {} {0.134682089954 0.456028741807 0.223765705533} C3 7 1 8 {} {0.190693719126 0.561634329438 0.147219669389} O3 8 1 8 {} {0.130871322837 0.596835723138 0.268481505525} O4 9 1 14 {} {0.358269740987 0.539504297731 0.356750190149} Si3 10 1 7 {} {0.392891501631 0.476491453869 0.398457838419} N1 11 1 14 {} {0.447147144558 0.474774807707 0.356912178475} Si4 12 1 14 {} {0.372624604391 0.422337272493 0.481266484607} Si5 13 1 7 {} {0.343515024101 0.460180541222 0.566646595499} N2 14 1 7 {} {0.468257357748 0.555057561464 0.361757111435} N3 15 1 1 {} {0.201304223102 0.498666319886 0.380956832266} H1 16 1 1 {} {0.220767191174 0.578121116324 0.346643975436} H2 17 1 1 {} {0.253932305719 0.543494131772 0.152113839769} H3 18 1 1 {} {0.259716299011 0.374096303385 0.339504900779} H4 19 1 1 {} {0.296591372883 0.378063414728 0.246918166019} H5 20 1 1 {} {0.238094310737 0.380014264115 0.228966728422} H6 21 1 1 {} {0.108168148075 0.462256486513 0.173715494578} H7 22 1 1 {} {0.119141300926 0.438311189489 0.285955758243} H8 23 1 1 {} {0.157079330767 0.41622012749 0.200143501016} H9 24 1 1 {} {0.172190774645 0.584715971296 0.104007883409} H10 25 1 1 {} {0.102486486521 0.584490908017 0.29454979649} H11 26 1 1 {} {0.374677185069 0.559468859302 0.266905691367} H12 27 1 1 {} {0.357172519144 0.598341768729 0.417830457723} H13 28 1 1 {} {0.47149760879 0.42290934679 0.409920709229} H14 29 1 1 {} {0.449547566494 0.45729269122 0.260252058616} H15 30 1 1 {} {0.34119491352 0.373218083476 0.440908241508} H16 31 1 1 {} {0.412143256765 0.388133865997 0.520413513918} H17 32 1 1 {} {0.311903938812 0.476677928611 0.555617366947} H18 33 1 1 {} {0.359534661249 0.490610118514 0.610593073976} H19 34 1 1 {} {0.492149211933 0.569410129448 0.317437394427} H20 35 1 1 {} {0.473932991601 0.577024998886 0.421908306267} H21 36 1 6 {} {0.647484891977 0.638680620937 0.490131105588} C4 37 1 14 {} {0.608145265271 0.574883004054 0.442591373859} Si6 38 1 14 {} {0.644940226069 0.725248017967 0.445269000545} Si7 39 1 8 {} {0.60527684488 0.583098121387 0.332955927946} O5 40 1 8 {} {0.627548751949 0.499970542786 0.466536034751} O6 41 1 6 {} {0.551447780863 0.581142977775 0.492777152968} C5 42 1 6 {} {0.597357474798 0.77566172112 0.490046022306} C6 43 1 8 {} {0.640598693823 0.714437218259 0.334831972409} O7 44 1 8 {} {0.69257325174 0.766588312582 0.460936633029} O8 45 1 14 {} {0.638133855071 0.422092112051 0.43866607089} Si8 46 1 7 {} {0.592796568987 0.369881213232 0.456718932528} N4 47 1 14 {} {0.573240655972 0.320683531605 0.368272927272} Si9 48 1 14 {} {0.568066875344 0.366573943894 0.563237960168} Si10 49 1 7 {} {0.603359065667 0.385363088832 0.6500011894} N5 50 1 7 {} {0.608193482962 0.257933512327 0.330843230445} N6 51 1 1 {} {0.64318115486 0.640074851168 0.563171718379} H22 52 1 1 {} {0.681507347646 0.619878960535 0.477704328648} H23 53 1 1 {} {0.61776695914 0.625264342421 0.310853671679} H24 54 1 1 {} {0.551258062349 0.571223354123 0.564875732338} H25 55 1 1 {} {0.530138440442 0.543389372698 0.460889619596} H26 56 1 1 {} {0.536539551698 0.630701629255 0.480890554916} H27 57 1 1 {} {0.596591826744 0.826085291462 0.460633471798} H28 58 1 1 {} {0.599404282133 0.781188725916 0.562987394695} H29 59 1 1 {} {0.565287045125 0.751519165122 0.474853849339} H30 60 1 1 {} {0.648654662209 0.75180508645 0.296862918834} H31 61 1 1 {} {0.692902001513 0.801612901735 0.505589922924} H32 62 1 1 {} {0.649641794153 0.417064721622 0.341911166705} H33 63 1 1 {} {0.677295296624 0.401773147575 0.493462883526} H34 64 1 1 {} {0.531467445109 0.288725129945 0.401156103162} H35 65 1 1 {} {0.565061905358 0.363531472112 0.288783441062} H36 66 1 1 {} {0.530868897919 0.416006024755 0.569665240448} H37 67 1 1 {} {0.550910596238 0.297127807028 0.575006607975} H38 68 1 1 {} {0.609858515441 0.433880590432 0.665165181891} H39 69 1 1 {} {0.630302381748 0.356281780929 0.66334569451} H40 70 1 1 {} {0.63284481634 0.269069824275 0.286657182313} H41 71 1 1 {} {0.61775802302 0.22016299106 0.372133673657} 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