#MD System 2.0 @Title neb0_image03 @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 {} {0.207965036418 0.528200294697 0.313920057405} C1 1 1 14 {} {0.261792625122 0.490853827852 0.27231772944} Si1 2 1 14 {} {0.161291136016 0.536613415232 0.233136398436} Si2 3 1 8 {} {0.273979709132 0.522590204153 0.173373894313} O1 4 1 8 {} {0.301804287126 0.511551569651 0.342589458203} O2 5 1 6 {} {0.259584084634 0.397665744017 0.26589178697} C2 6 1 6 {} {0.129526523746 0.457111171472 0.215327165184} C3 7 1 8 {} {0.185671631183 0.562653291612 0.138828315056} O3 8 1 8 {} {0.126081084421 0.597634244627 0.261090231077} O4 9 1 14 {} {0.353301193249 0.540686715167 0.34883147789} Si3 10 1 7 {} {0.387871402008 0.477636216894 0.390260403233} N1 11 1 14 {} {0.441868443353 0.475417664119 0.347598527165} Si4 12 1 14 {} {0.367584127819 0.42323982103 0.472962943259} Si5 13 1 7 {} {0.338200785166 0.460716995872 0.558422980433} N2 14 1 7 {} {0.462701700627 0.555822845116 0.35189195595} N3 15 1 1 {} {0.196290211892 0.499785134182 0.372526384046} H1 16 1 1 {} {0.215883579616 0.579104393978 0.337766476976} H2 17 1 1 {} {0.248872084747 0.544305365074 0.143438727575} H3 18 1 1 {} {0.254324048215 0.374454275804 0.331509437268} H4 19 1 1 {} {0.291266362091 0.378573480572 0.239077295694} H5 20 1 1 {} {0.232817374162 0.381016822194 0.220925238595} H6 21 1 1 {} {0.103066175437 0.463596739475 0.165221275596} H7 22 1 1 {} {0.113842663261 0.439642962351 0.277510255425} H8 23 1 1 {} {0.151717628051 0.416984512593 0.191837006216} H9 24 1 1 {} {0.167001455309 0.585795957981 0.0959959352753} H10 25 1 1 {} {0.0975911927503 0.585029952266 0.286398926287} H11 26 1 1 {} {0.3697811442 0.560901908845 0.259404739245} H12 27 1 1 {} {0.351986814574 0.599269925504 0.410091866567} H13 28 1 1 {} {0.466316363945 0.42382155374 0.400605498738} H14 29 1 1 {} {0.443974478667 0.457118893081 0.251319645275} H15 30 1 1 {} {0.336157513326 0.374044459307 0.432428417754} H16 31 1 1 {} {0.407100474003 0.388869505225 0.511928002656} H17 32 1 1 {} {0.306662125376 0.477323993628 0.546941462784} H18 33 1 1 {} {0.354118941069 0.491766852598 0.602092679039} H19 34 1 1 {} {0.487145313054 0.569636828049 0.30857829193} H20 35 1 1 {} {0.467625092195 0.578190156907 0.412018275199} H21 36 1 6 {} {0.653039968108 0.638138330433 0.498365417551} C4 37 1 14 {} {0.6134933998 0.574296049439 0.451442343313} Si6 38 1 14 {} {0.650302343638 0.724557560535 0.453308411928} Si7 39 1 8 {} {0.60955046971 0.582610661428 0.342054185082} O5 40 1 8 {} {0.633506664795 0.499505116179 0.475016366453} O6 41 1 6 {} {0.557007668128 0.579955780144 0.502574290745} C5 42 1 6 {} {0.602533708075 0.774901618634 0.498059509718} C6 43 1 8 {} {0.646784916816 0.713271360276 0.342949270406} O7 44 1 8 {} {0.697805829931 0.766384763933 0.469371479371} O8 45 1 14 {} {0.643344966931 0.421392173095 0.447511084462} Si8 46 1 7 {} {0.597936810253 0.369109370286 0.465135098712} N4 47 1 14 {} {0.578397083054 0.319867746854 0.376762645744} Si9 48 1 14 {} {0.572656016097 0.365244129154 0.570693561028} Si10 49 1 7 {} {0.609249362044 0.384897305816 0.658884170068} N5 50 1 7 {} {0.612611013963 0.257319405377 0.338392441399} N6 51 1 1 {} {0.648614016791 0.639352750626 0.571370382739} H22 52 1 1 {} {0.687168211214 0.619819098887 0.485884207941} H23 53 1 1 {} {0.622661316803 0.624136949543 0.319022143588} H24 54 1 1 {} {0.556852555448 0.571111875427 0.574971591346} H25 55 1 1 {} {0.535990304887 0.5415699471 0.471069056456} H26 56 1 1 {} {0.5417870113 0.629182740854 0.489881865726} H27 57 1 1 {} {0.601660049449 0.825389900991 0.468724810625} H28 58 1 1 {} {0.604610105515 0.780525001802 0.571049246913} H29 59 1 1 {} {0.570398019332 0.750792907394 0.483226761996} H30 60 1 1 {} {0.653933297396 0.75097011554 0.304689626381} H31 61 1 1 {} {0.697967370184 0.801226912993 0.514108910783} H32 62 1 1 {} {0.654665742921 0.416258415013 0.350509812931} H33 63 1 1 {} {0.682560343232 0.400983781277 0.502240314946} H34 64 1 1 {} {0.536426126625 0.288376929337 0.409828702251} H35 65 1 1 {} {0.570039787635 0.362986999836 0.297349061427} H36 66 1 1 {} {0.535612994773 0.414418602202 0.5788753308} H37 67 1 1 {} {0.556256169212 0.295663059969 0.583685931752} H38 68 1 1 {} {0.614531009132 0.432763042437 0.673237374881} H39 69 1 1 {} {0.63509766659 0.355753591624 0.671799989406} H40 70 1 1 {} {0.637491288212 0.268243278544 0.294191325517} H41 71 1 1 {} {0.622369520548 0.218697814831 0.379512180807} 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