#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 {} {0.217850314484 0.525841001402 0.331958149365} C1 1 1 14 {} {0.271669176815 0.488218832987 0.291205978839} Si1 2 1 14 {} {0.17162920788 0.534872857766 0.251089828262} Si2 3 1 8 {} {0.28502862325 0.523369518506 0.19498841297} O1 4 1 8 {} {0.313730007082 0.50468734774 0.364914929875} O2 5 1 6 {} {0.270287206727 0.39610237369 0.282405897625} C2 6 1 6 {} {0.139830742661 0.45496262308 0.232971491317} C3 7 1 8 {} {0.195923087189 0.560013152585 0.155256235042} O3 8 1 8 {} {0.135447462501 0.595930720977 0.275428290785} O4 9 1 14 {} {0.364943137094 0.542992598244 0.370664450621} Si3 10 1 7 {} {0.401831552843 0.47819773732 0.4135360522} N1 11 1 14 {} {0.459643120866 0.482592278128 0.371421793408} Si4 12 1 14 {} {0.377455754753 0.421149510558 0.495939920209} Si5 13 1 7 {} {0.348235906286 0.46362476942 0.577529598789} N2 14 1 7 {} {0.478133041378 0.567887161528 0.396666708402} N3 15 1 1 {} {0.206105658627 0.497216656709 0.390692127788} H1 16 1 1 {} {0.225596050196 0.577224262579 0.355805847474} H2 17 1 1 {} {0.259608867481 0.542686849761 0.162235311677} H3 18 1 1 {} {0.265636434553 0.373787582179 0.34833676761} H4 19 1 1 {} {0.302235652495 0.378247804919 0.256308616664} H5 20 1 1 {} {0.24418678284 0.378337975363 0.238525362438} H6 21 1 1 {} {0.113249058364 0.460089526521 0.18234189032} H7 22 1 1 {} {0.124618884189 0.436417789241 0.295276927419} H8 23 1 1 {} {0.163148760014 0.415994967003 0.209359755939} H9 24 1 1 {} {0.178295044148 0.583642032638 0.11286459262} H10 25 1 1 {} {0.107766978656 0.58506592235 0.303735458489} H11 26 1 1 {} {0.369025544897 0.556071954783 0.278374460791} H12 27 1 1 {} {0.361742419027 0.595623536394 0.426660904549} H13 28 1 1 {} {0.476090631382 0.410845649379 0.424671101682} H14 29 1 1 {} {0.457698591984 0.483414078093 0.285680439714} H15 30 1 1 {} {0.346536886273 0.371586065746 0.444579920868} H16 31 1 1 {} {0.420467557707 0.387477351245 0.526448901339} H17 32 1 1 {} {0.315935596329 0.473983185437 0.561464348851} H18 33 1 1 {} {0.368559135087 0.488692872915 0.618771542987} H19 34 1 1 {} {0.519048924488 0.56934526146 0.331044197404} H20 35 1 1 {} {0.513640643463 0.540518618822 0.449911179405} H21 36 1 6 {} {0.63170900446 0.653837239461 0.482877430405} C4 37 1 14 {} {0.600734526011 0.576302191614 0.436393349051} Si6 38 1 14 {} {0.633081274351 0.733784419243 0.432498203594} Si7 39 1 8 {} {0.604595379312 0.581501078465 0.316966099132} O5 40 1 8 {} {0.615787077471 0.498554020572 0.448711629522} O6 41 1 6 {} {0.537167050694 0.583860524794 0.4727814915} C5 42 1 6 {} {0.59188436998 0.776608293731 0.481862303063} C6 43 1 8 {} {0.63551059238 0.711382475834 0.32681571634} O7 44 1 8 {} {0.683033518553 0.756068432683 0.453807075077} O8 45 1 14 {} {0.63184130794 0.417027002377 0.429811738915} Si8 46 1 7 {} {0.585151622293 0.368850554034 0.444772633015} N4 47 1 14 {} {0.569427719348 0.323441891651 0.362463110629} Si9 48 1 14 {} {0.562506116343 0.370659075226 0.555752883881} Si10 49 1 7 {} {0.597399239712 0.387817736562 0.64122364955} N5 50 1 7 {} {0.602467602258 0.260268134559 0.322572583829} N6 51 1 1 {} {0.629222901132 0.639194257441 0.556507997334} H22 52 1 1 {} {0.662907786547 0.604352689557 0.449645866895} H23 53 1 1 {} {0.615965901841 0.628820219517 0.301080592154} H24 54 1 1 {} {0.52947521435 0.560696384397 0.541441037991} H25 55 1 1 {} {0.525660148449 0.553475313918 0.417726020885} H26 56 1 1 {} {0.530335986283 0.645334305514 0.468514903887} H27 57 1 1 {} {0.592794080099 0.824840996255 0.451292215823} H28 58 1 1 {} {0.594178855121 0.781076091668 0.554383116238} H29 59 1 1 {} {0.562024811995 0.750023304302 0.465767040991} H30 60 1 1 {} {0.643272688304 0.752976029692 0.293578445192} H31 61 1 1 {} {0.686718878352 0.800550482489 0.494598903213} H32 62 1 1 {} {0.644531166823 0.420039330252 0.331541664695} H33 63 1 1 {} {0.671508456092 0.40258282551 0.483384178427} H34 64 1 1 {} {0.526780604716 0.291821455497 0.393140623391} H35 65 1 1 {} {0.559366574536 0.36586888613 0.278129219733} H36 66 1 1 {} {0.525313493907 0.416342505641 0.555778114318} H37 67 1 1 {} {0.546027874937 0.299491086288 0.564358132932} H38 68 1 1 {} {0.604299952873 0.434648167619 0.656372101107} H39 69 1 1 {} {0.623877247216 0.356468753681 0.65185162891} H40 70 1 1 {} {0.627682132057 0.270022339879 0.278531863207} H41 71 1 1 {} {0.612604244827 0.222002097815 0.363807238773} 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