#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 {} {0.225802920105 0.524603253417 0.345537507485} C1 1 1 14 {} {0.278375191862 0.486907149644 0.303829116409} Si1 2 1 14 {} {0.180156435493 0.53384933833 0.265511014136} Si2 3 1 8 {} {0.293130552914 0.516721354886 0.205289913969} O1 4 1 8 {} {0.310173823672 0.514194211169 0.385811074553} O2 5 1 6 {} {0.279781692424 0.39375647332 0.298947336483} C2 6 1 6 {} {0.149699741717 0.453489215074 0.247359048431} C3 7 1 8 {} {0.205453929685 0.561192881456 0.172990229971} O3 8 1 8 {} {0.144925718107 0.594027123672 0.294896248291} O4 9 1 14 {} {0.363602005325 0.532215020732 0.378782232612} Si3 10 1 7 {} {0.394950186959 0.460662428569 0.402652596353} N1 11 1 14 {} {0.441757966118 0.46661000451 0.335215242465} Si4 12 1 14 {} {0.383667616853 0.415166785204 0.501965013057} Si5 13 1 7 {} {0.358347175552 0.456683965797 0.587925539554} N2 14 1 7 {} {0.438881140625 0.550530129446 0.29680563206} N3 15 1 1 {} {0.216053249209 0.496105926548 0.405128127986} H1 16 1 1 {} {0.236412955548 0.574319450003 0.369243186866} H2 17 1 1 {} {0.269121638643 0.540662924026 0.17491775649} H3 18 1 1 {} {0.274477252373 0.370606543436 0.364715687574} H4 19 1 1 {} {0.311634330958 0.374940934667 0.272268968136} H5 20 1 1 {} {0.253244706805 0.376414882279 0.253638982552} H6 21 1 1 {} {0.123192707906 0.459762008287 0.197561124006} H7 22 1 1 {} {0.13428511892 0.43677005326 0.310246079508} H8 23 1 1 {} {0.171864695558 0.413048357509 0.224568259971} H9 24 1 1 {} {0.186651279841 0.582827554608 0.12848265536} H10 25 1 1 {} {0.11694556074 0.579284110376 0.32099039718} H11 26 1 1 {} {0.370343527568 0.55305898924 0.283186031223} H12 27 1 1 {} {0.373967879643 0.589399097547 0.438828335789} H13 28 1 1 {} {0.482701311297 0.461371608948 0.389222140619} H14 29 1 1 {} {0.44519379354 0.407911264282 0.263350338972} H15 30 1 1 {} {0.352697267752 0.361021500211 0.47960701232} H16 31 1 1 {} {0.424808680966 0.387130044167 0.541700002091} H17 32 1 1 {} {0.326634293732 0.473866365094 0.582680711562} H18 33 1 1 {} {0.373968308713 0.486294698677 0.633651065124} H19 34 1 1 {} {0.461272750472 0.580400101228 0.316139376845} H20 35 1 1 {} {0.410640137205 0.590792490325 0.302013840791} H21 36 1 6 {} {0.657049694602 0.64665143062 0.467030218491} C4 37 1 14 {} {0.611332796732 0.577952444356 0.440460521663} Si6 38 1 14 {} {0.639100911821 0.731667890786 0.419766197508} Si7 39 1 8 {} {0.582332800052 0.593308347886 0.349129648238} O5 40 1 8 {} {0.633129482101 0.501822202607 0.442712198856} O6 41 1 6 {} {0.570938793131 0.579057174825 0.533140985141} C5 42 1 6 {} {0.585728815818 0.774703701015 0.464480039584} C6 43 1 8 {} {0.630058003736 0.719878523734 0.310442683501} O7 44 1 8 {} {0.679508250561 0.789292316569 0.428741872789} O8 45 1 14 {} {0.627931207623 0.42327303606 0.415581723722} Si8 46 1 7 {} {0.57899917223 0.376697804448 0.433989405807} N4 47 1 14 {} {0.558553867404 0.324415788439 0.345899005339} Si9 48 1 14 {} {0.554796259985 0.368219295487 0.540154714615} Si10 49 1 7 {} {0.591560583839 0.385680984462 0.62754539618} N5 50 1 7 {} {0.592451855269 0.261193410372 0.306208315473} N6 51 1 1 {} {0.65229728249 0.652336815604 0.540120678683} H22 52 1 1 {} {0.693781975165 0.649786362739 0.470467536857} H23 53 1 1 {} {0.59319381136 0.623241778974 0.30219840358} H24 54 1 1 {} {0.582834893666 0.607979475769 0.586680226809} H25 55 1 1 {} {0.559898158854 0.53006240483 0.563827591388} H26 56 1 1 {} {0.539000204689 0.593238138606 0.508207075142} H27 57 1 1 {} {0.583190175802 0.825289878528 0.43481260637} H28 58 1 1 {} {0.58541879446 0.782939581951 0.53691164062} H29 59 1 1 {} {0.553233670777 0.751409440263 0.448375607301} H30 60 1 1 {} {0.632708648678 0.755395934645 0.267478451537} H31 61 1 1 {} {0.680304430333 0.814041290479 0.482568004356} H32 62 1 1 {} {0.634781069029 0.415424057639 0.317216750391} H33 63 1 1 {} {0.664973999139 0.394873803393 0.468034867781} H34 64 1 1 {} {0.516736445283 0.29119682355 0.377560346289} H35 65 1 1 {} {0.549552255279 0.36667650465 0.265410036127} H36 66 1 1 {} {0.518705710299 0.417620794457 0.556876780652} H37 67 1 1 {} {0.536659767497 0.298662544833 0.550730731087} H38 68 1 1 {} {0.595191128835 0.434454006273 0.643981172153} H39 69 1 1 {} {0.61913566649 0.359076335149 0.642315319287} H40 70 1 1 {} {0.616595321385 0.271753623555 0.260611726935} H41 71 1 1 {} {0.601194452068 0.221430762899 0.344481654741} 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