#MD System 2.0 @Title neb0_image07 @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 {} {0.218459306611 0.5262877884 0.331447187814} C1 1 1 14 {} {0.272359799723 0.48925803029 0.289603220759} Si1 2 1 14 {} {0.171787274694 0.534780019842 0.250522027531} Si2 3 1 8 {} {0.284947516079 0.52211559026 0.191660348843} O1 4 1 8 {} {0.312114280533 0.509852166991 0.360606761224} O2 5 1 6 {} {0.270438766581 0.396064126246 0.282738292146} C2 6 1 6 {} {0.140240933524 0.455045400817 0.232743767623} C3 7 1 8 {} {0.196249430774 0.560808662838 0.15629913795} O3 8 1 8 {} {0.136395920301 0.5958002618 0.277637839909} O4 9 1 14 {} {0.363620828448 0.538633664872 0.365465919187} Si3 10 1 7 {} {0.397750185528 0.47485711009 0.407164876384} N1 11 1 14 {} {0.451406680848 0.473349940388 0.362934924399} Si4 12 1 14 {} {0.377919098458 0.420862813357 0.490681295605} Si5 13 1 7 {} {0.348922341476 0.459107454999 0.576071440063} N2 14 1 7 {} {0.468765243009 0.555845833411 0.362497816356} N3 15 1 1 {} {0.206855539906 0.497671424477 0.389926232617} H1 16 1 1 {} {0.226348357286 0.577110428594 0.355604044467} H2 17 1 1 {} {0.259469889092 0.542487609388 0.1610145864} H3 18 1 1 {} {0.265267538659 0.373025505265 0.348546772478} H4 19 1 1 {} {0.302156462439 0.377028608362 0.255964207028} H5 20 1 1 {} {0.243668372007 0.379035926952 0.238003756389} H6 21 1 1 {} {0.113724622009 0.461258650413 0.182707357746} H7 22 1 1 {} {0.124699202283 0.437356697301 0.294952852887} H8 23 1 1 {} {0.162628709455 0.41519986318 0.209177820702} H9 24 1 1 {} {0.177704081489 0.583751155746 0.112971655863} H10 25 1 1 {} {0.108000596276 0.583351560504 0.303646327243} H11 26 1 1 {} {0.380104459548 0.558385461541 0.275679327821} H12 27 1 1 {} {0.362814385052 0.597349676501 0.426916421072} H13 28 1 1 {} {0.477015737882 0.423347076052 0.41781385264} H14 29 1 1 {} {0.454648123417 0.453703412726 0.266486139677} H15 30 1 1 {} {0.346620061009 0.371889151531 0.450058098665} H16 31 1 1 {} {0.417737642423 0.387110668354 0.529355586451} H17 32 1 1 {} {0.317375837146 0.475694874476 0.564620031032} H18 33 1 1 {} {0.365040103279 0.48967298588 0.619737278873} H19 34 1 1 {} {0.495910580389 0.567041361021 0.324228119304} H20 35 1 1 {} {0.472154329257 0.577120736378 0.423859707238} H21 36 1 6 {} {0.643407308735 0.640434951676 0.481160949893} C4 37 1 14 {} {0.604340914263 0.576671471625 0.435390917971} Si6 38 1 14 {} {0.639554313572 0.726619902364 0.436101705946} Si7 39 1 8 {} {0.599088566081 0.584449232469 0.325629768653} O5 40 1 8 {} {0.622546817927 0.500865760842 0.457440705248} O6 41 1 6 {} {0.548887592877 0.582820554444 0.489648785838} C5 42 1 6 {} {0.59181096708 0.776619548871 0.481070522352} C6 43 1 8 {} {0.635051097132 0.71537827555 0.325756797794} O7 44 1 8 {} {0.687056507591 0.767942161911 0.451809271197} O8 45 1 14 {} {0.632653962929 0.422745820636 0.429587084029} Si8 46 1 7 {} {0.587240403289 0.370979778755 0.448085945698} N4 47 1 14 {} {0.567664057824 0.321556647173 0.359119468593} Si9 48 1 14 {} {0.562527473717 0.367486716244 0.554239896316} Si10 49 1 7 {} {0.5979581615 0.386337112636 0.640834842738} N5 50 1 7 {} {0.602600632544 0.258770159736 0.321613091023} N6 51 1 1 {} {0.637797123337 0.641002479866 0.553859407716} H22 52 1 1 {} {0.677336801722 0.621571911492 0.468955264808} H23 53 1 1 {} {0.611875094752 0.626030206336 0.302016252239} H24 54 1 1 {} {0.548180516704 0.574265559032 0.562076616282} H25 55 1 1 {} {0.530615043059 0.541666608343 0.457778036017} H26 56 1 1 {} {0.532146278637 0.630935626367 0.473814520162} H27 57 1 1 {} {0.591071170442 0.827031712499 0.45163191724} H28 58 1 1 {} {0.593850715774 0.782222540048 0.553993811839} H29 59 1 1 {} {0.559703539974 0.752577244341 0.465889772489} H30 60 1 1 {} {0.64306311135 0.752755822607 0.287803831347} H31 61 1 1 {} {0.687340947288 0.802768534649 0.496599618316} H32 62 1 1 {} {0.644077485975 0.418103072358 0.332966201227} H33 63 1 1 {} {0.671844965932 0.402775897915 0.484611631294} H34 64 1 1 {} {0.525974233152 0.289721048345 0.392224967146} H35 65 1 1 {} {0.559528248787 0.364577365945 0.279842101438} H36 66 1 1 {} {0.525486500058 0.416988796157 0.561408901428} H37 67 1 1 {} {0.545366982606 0.298117464577 0.56608916421} H38 68 1 1 {} {0.604275601832 0.434998097699 0.656333886959} H39 69 1 1 {} {0.624942615231 0.357135503783 0.654529256235} H40 70 1 1 {} {0.627284709949 0.27003102155 0.277620953007} H41 71 1 1 {} {0.612205151417 0.221086638844 0.362927216595} 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