#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 {} {0.218138862996 0.526328035583 0.331045574306} C1 1 1 14 {} {0.272115937384 0.489361085903 0.289294340109} Si1 2 1 14 {} {0.171480929787 0.534834723898 0.250026739489} Si2 3 1 8 {} {0.284699090556 0.522406820811 0.191422971384} O1 4 1 8 {} {0.312116236961 0.50969822367 0.360141548661} O2 5 1 6 {} {0.270145774713 0.3961734143 0.282170381492} C2 6 1 6 {} {0.139945796001 0.45509504936 0.232308023813} C3 7 1 8 {} {0.195984068699 0.560701205795 0.155779619902} O3 8 1 8 {} {0.136143142043 0.59586166292 0.276991718021} O4 9 1 14 {} {0.36359940662 0.538440768708 0.365244218353} Si3 10 1 7 {} {0.398311871333 0.475582557086 0.406943835493} N1 11 1 14 {} {0.451557305993 0.473232257101 0.364622527599} Si4 12 1 14 {} {0.377795704189 0.42157453764 0.490088176046} Si5 13 1 7 {} {0.348800324674 0.459174412585 0.57510972069} N2 14 1 7 {} {0.471359511624 0.553812478976 0.367618039588} N3 15 1 1 {} {0.206577926128 0.497696012399 0.389499184891} H1 16 1 1 {} {0.226029017843 0.577130739027 0.35520320203} H2 17 1 1 {} {0.259182440495 0.542530370068 0.16066503485} H3 18 1 1 {} {0.264997496158 0.373164820768 0.348007380697} H4 19 1 1 {} {0.301869792901 0.377104060484 0.255440681207} H5 20 1 1 {} {0.243378879527 0.379038288829 0.237513737775} H6 21 1 1 {} {0.113429990085 0.461277246418 0.182241970149} H7 22 1 1 {} {0.124407344339 0.437335312256 0.294494869383} H8 23 1 1 {} {0.16235972306 0.415281497449 0.208682115446} H9 24 1 1 {} {0.177483677995 0.583730914317 0.112546419073} H10 25 1 1 {} {0.107757688701 0.583567350651 0.30304620597} H11 26 1 1 {} {0.379947505522 0.55851047201 0.275452070057} H12 27 1 1 {} {0.362453612347 0.597329077401 0.426280816229} H13 28 1 1 {} {0.476818956082 0.42209387964 0.418480399074} H14 29 1 1 {} {0.454937689581 0.456526929764 0.269132001974} H15 30 1 1 {} {0.346477550078 0.372261741237 0.449404620988} H16 31 1 1 {} {0.417421171231 0.387163962302 0.528901775586} H17 32 1 1 {} {0.317234927746 0.475686691873 0.564154078257} H18 33 1 1 {} {0.36477875632 0.489564208039 0.619015915229} H19 34 1 1 {} {0.497152489142 0.568644508064 0.326484173368} H20 35 1 1 {} {0.477534655313 0.576356499488 0.427768700923} H21 36 1 6 {} {0.642155912954 0.639514677506 0.481497476726} C4 37 1 14 {} {0.603019346304 0.575874436753 0.434590006377} Si6 38 1 14 {} {0.639705266118 0.726145392836 0.436863599976} Si7 39 1 8 {} {0.599908698122 0.583960707711 0.324153652732} O5 40 1 8 {} {0.622222371046 0.501066646676 0.457991662556} O6 41 1 6 {} {0.547833799388 0.582518542532 0.486357188515} C5 42 1 6 {} {0.592091666773 0.776627465041 0.481526713406} C6 43 1 8 {} {0.635308247462 0.715352138079 0.326264155451} O7 44 1 8 {} {0.68722387013 0.767532699091 0.452454368561} O8 45 1 14 {} {0.632736064697 0.422899221101 0.430103158032} Si8 46 1 7 {} {0.587574739801 0.371024014469 0.448671240745} N4 47 1 14 {} {0.56816779935 0.321196047781 0.35967973663} Si9 48 1 14 {} {0.562568887484 0.367542097116 0.553877808835} Si10 49 1 7 {} {0.598127651733 0.386311086116 0.64154811399} N5 50 1 7 {} {0.602930001276 0.258914947989 0.322320393091} N6 51 1 1 {} {0.637872913861 0.641027025075 0.55462542977} H22 52 1 1 {} {0.676146779515 0.620794640603 0.46918398723} H23 53 1 1 {} {0.612550062166 0.626347000162 0.302265142726} H24 54 1 1 {} {0.546096342868 0.572159955028 0.556706233778} H25 55 1 1 {} {0.527491390796 0.544137325581 0.454619791972} H26 56 1 1 {} {0.531448283334 0.631538606416 0.472381731042} H27 57 1 1 {} {0.591318564137 0.827035925314 0.452109847333} H28 58 1 1 {} {0.594129620167 0.782137687426 0.554471253948} H29 59 1 1 {} {0.56000089664 0.752477097413 0.466317593076} H30 60 1 1 {} {0.643379486231 0.752788524007 0.288354741315} H31 61 1 1 {} {0.687625132731 0.80256032276 0.497050159781} H32 62 1 1 {} {0.644384152601 0.418039673368 0.333372317847} H33 63 1 1 {} {0.67203671695 0.402746212688 0.484956450524} H34 64 1 1 {} {0.526203138965 0.289715331492 0.392622103469} H35 65 1 1 {} {0.559774843717 0.364559402608 0.280204276574} H36 66 1 1 {} {0.525719354604 0.416943644705 0.561333550806} H37 67 1 1 {} {0.545644569659 0.298095728443 0.566593623227} H38 68 1 1 {} {0.604632491058 0.435025964829 0.656774673267} H39 69 1 1 {} {0.625195284311 0.35711228399 0.65494701637} H40 70 1 1 {} {0.627547594149 0.270035425735 0.278244525729} H41 71 1 1 {} {0.61248066185 0.221273224603 0.363551614072} 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