#MD System 2.0 @Title neb0_image02 @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 {} {0.205088294974 0.528703945272 0.309851724802} C1 1 1 14 {} {0.259015451302 0.491737080504 0.268021296607} Si1 2 1 14 {} {0.158379618268 0.537220808665 0.228870982285} Si2 3 1 8 {} {0.271647317449 0.524922441194 0.170258343473} O1 4 1 8 {} {0.298996950501 0.511992694149 0.339012985902} O2 5 1 6 {} {0.257052323343 0.398552542863 0.260993071757} C2 6 1 6 {} {0.126855628557 0.457487474942 0.211095778249} C3 7 1 8 {} {0.182883998091 0.563006695113 0.134567098476} O3 8 1 8 {} {0.12304061102 0.59838255976 0.255729496392} O4 9 1 14 {} {0.350487910711 0.540940359969 0.34407179007} Si3 10 1 7 {} {0.385233545463 0.478010339521 0.385692691449} N1 11 1 14 {} {0.439664768453 0.476468141464 0.344841621534} Si4 12 1 14 {} {0.364855220754 0.4238163988 0.468515797909} Si5 13 1 7 {} {0.335726091749 0.461639450561 0.553915090162} N2 14 1 7 {} {0.461635899674 0.556169815109 0.351015501609} N3 15 1 1 {} {0.193478810668 0.500103371372 0.36833545036} H1 16 1 1 {} {0.212915607389 0.579534701027 0.33403628163} H2 17 1 1 {} {0.246083473215 0.544932659794 0.139507300607} H3 18 1 1 {} {0.251904171455 0.375588960671 0.326858838027} H4 19 1 1 {} {0.288784889687 0.379544396668 0.234204065341} H5 20 1 1 {} {0.230286456107 0.381439819777 0.216291149774} H6 21 1 1 {} {0.100338423788 0.46366288517 0.161046914947} H7 22 1 1 {} {0.111324141822 0.439730598021 0.273276897542} H8 23 1 1 {} {0.14926987015 0.417690095279 0.187472587679} H9 24 1 1 {} {0.164411915894 0.586121585711 0.0913500209021} H10 25 1 1 {} {0.0946705783177 0.586007202891 0.281820216744} H11 26 1 1 {} {0.366871906513 0.560893428488 0.254168267245} H12 27 1 1 {} {0.349347843761 0.59977327728 0.405135010382} H13 28 1 1 {} {0.463677927998 0.424051889752 0.397467916259} H14 29 1 1 {} {0.441772226045 0.45914817141 0.248070759462} H15 30 1 1 {} {0.333357948362 0.374649891393 0.428241568766} H16 31 1 1 {} {0.404306580143 0.389575962781 0.507810932636} H17 32 1 1 {} {0.304099467479 0.478109124387 0.54297480541} H18 33 1 1 {} {0.351735158564 0.492008683621 0.597920666202} H19 34 1 1 {} {0.484498699224 0.571123254072 0.305031037978} H20 35 1 1 {} {0.467462926608 0.578346103078 0.410986590106} H21 36 1 6 {} {0.655102937405 0.637088535636 0.502830956512} C4 37 1 14 {} {0.615613738417 0.573259657088 0.45493346407} Si6 38 1 14 {} {0.652753500441 0.723758522757 0.458023923041} Si7 39 1 8 {} {0.613330473273 0.581540456607 0.345286439472} O5 40 1 8 {} {0.635306727894 0.498516876852 0.479193571255} O6 41 1 6 {} {0.558512942303 0.579402050852 0.504005343128} C5 42 1 6 {} {0.60516480736 0.77421432578 0.502710258703} C6 43 1 8 {} {0.648413960481 0.713002735958 0.347514050047} O7 44 1 8 {} {0.700362364559 0.765104450447 0.473649761453} O8 45 1 14 {} {0.645913933702 0.420651261652 0.451302518167} Si8 46 1 7 {} {0.600591530319 0.368468010567 0.46946590761} N4 47 1 14 {} {0.581044648061 0.319242371021 0.38090070192} Si9 48 1 14 {} {0.575933413235 0.36515046985 0.575845889956} Si10 49 1 7 {} {0.611136997803 0.383926271552 0.662886465534} N5 50 1 7 {} {0.616069126852 0.256556073338 0.34365263135} N6 51 1 1 {} {0.650967792332 0.638650432014 0.57593304497} H22 52 1 1 {} {0.689162465616 0.618303970292 0.490395254549} H23 53 1 1 {} {0.62564682153 0.623921198908 0.323459302653} H24 54 1 1 {} {0.558684515706 0.569449985443 0.576102762726} H25 55 1 1 {} {0.536450812798 0.542467116217 0.47219372497} H26 56 1 1 {} {0.544087768011 0.629385744797 0.493137068602} H27 57 1 1 {} {0.604412637574 0.824633087129 0.473325615376} H28 58 1 1 {} {0.607223074111 0.779724353489 0.575644912269} H29 59 1 1 {} {0.573095717274 0.750034251943 0.487504371101} H30 60 1 1 {} {0.656470212271 0.750393673486 0.309570762587} H31 61 1 1 {} {0.700710151141 0.80015334704 0.518274716059} H32 62 1 1 {} {0.657469467419 0.41558745136 0.354564598828} H33 63 1 1 {} {0.68510739642 0.400265832968 0.506101211613} H34 64 1 1 {} {0.539265785974 0.287238353771 0.413790585229} H35 65 1 1 {} {0.572872996424 0.36211255929 0.301327903425} H36 66 1 1 {} {0.538738363973 0.414550411863 0.582118198069} H37 67 1 1 {} {0.558715855986 0.295743925826 0.587635484318} H38 68 1 1 {} {0.617710312548 0.432507094092 0.677829334368} H39 69 1 1 {} {0.638148430405 0.354802057715 0.675974778611} H40 70 1 1 {} {0.640696592228 0.26761679632 0.299385716534} H41 71 1 1 {} {0.625626931479 0.218792423441 0.384876349906} 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