#MD System 2.0 @Title neb0_image05 @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 {} {0.213936721925 0.527227541799 0.323365031484} C1 1 1 14 {} {0.267716427705 0.489750336087 0.282124828623} Si1 2 1 14 {} {0.167288340849 0.535393827116 0.242659411399} Si2 3 1 8 {} {0.280122382342 0.52117133319 0.18294501751} O1 4 1 8 {} {0.307001124614 0.51114875383 0.353288935918} O2 5 1 6 {} {0.265695518132 0.396529412464 0.275620522678} C2 6 1 6 {} {0.135701957104 0.455642488781 0.225131364692} C3 7 1 8 {} {0.191407181437 0.561930778603 0.148685107786} O3 8 1 8 {} {0.13186097074 0.595683531885 0.271283718049} O4 9 1 14 {} {0.358821573023 0.539663862678 0.358415329703} Si3 10 1 7 {} {0.392518323317 0.475177988452 0.398756498147} N1 11 1 14 {} {0.444717393747 0.473130520449 0.349744772321} Si4 12 1 14 {} {0.373143950639 0.421718646398 0.483398105744} Si5 13 1 7 {} {0.343989320336 0.459633745362 0.56877645842} N2 14 1 7 {} {0.458331259971 0.558842245251 0.342652717166} N3 15 1 1 {} {0.202348873715 0.498727065769 0.381907460804} H1 16 1 1 {} {0.222022676282 0.578036997957 0.347218135103} H2 17 1 1 {} {0.25524241779 0.543132843601 0.152984913649} H3 18 1 1 {} {0.260396887793 0.373159169033 0.341119664136} H4 19 1 1 {} {0.297363750558 0.377310253797 0.248835122851} H5 20 1 1 {} {0.238916173145 0.380003610018 0.230629320467} H6 21 1 1 {} {0.10919257673 0.462366484957 0.175178365085} H7 22 1 1 {} {0.12001941889 0.438384033026 0.287484931867} H8 23 1 1 {} {0.157794424506 0.415368033228 0.201632146843} H9 24 1 1 {} {0.17249555402 0.584978935228 0.10550725215} H10 25 1 1 {} {0.103343335724 0.583002232026 0.296993414948} H11 26 1 1 {} {0.375085119138 0.559341295955 0.268821432149} H12 27 1 1 {} {0.358106319334 0.598197737614 0.419985842086} H13 28 1 1 {} {0.472466684223 0.426873732037 0.407771089253} H14 29 1 1 {} {0.448573739185 0.449459476143 0.255902698063} H15 30 1 1 {} {0.341764519045 0.372080766666 0.442905425653} H16 31 1 1 {} {0.413177028735 0.387821715703 0.521553140561} H17 32 1 1 {} {0.312699823629 0.476471128714 0.557053794445} H18 33 1 1 {} {0.360032859371 0.490927352282 0.612153380428} H19 34 1 1 {} {0.489871783982 0.564901812642 0.313949054622} H20 35 1 1 {} {0.458871167688 0.57984652365 0.405662562405} H21 36 1 6 {} {0.650260528297 0.640383166569 0.488481171522} C4 37 1 14 {} {0.610590365787 0.576958092058 0.446350871407} Si6 38 1 14 {} {0.644751977828 0.726507468971 0.443153362089} Si7 39 1 8 {} {0.601498554306 0.584735927664 0.337177882208} O5 40 1 8 {} {0.628652225498 0.500354657873 0.465307770402} O6 41 1 6 {} {0.557123666466 0.582533377147 0.506040758279} C5 42 1 6 {} {0.596628595455 0.776065599022 0.488463509756} C6 43 1 8 {} {0.639844345874 0.714779160532 0.332853303894} O7 44 1 8 {} {0.692134044192 0.768572462403 0.45844087305} O8 45 1 14 {} {0.637433720996 0.422112699878 0.43759471136} Si8 46 1 7 {} {0.592014527188 0.370447744195 0.456006930052} N4 47 1 14 {} {0.572571997453 0.320350346808 0.366859237931} Si9 48 1 14 {} {0.566281981127 0.366344260425 0.559610736735} Si10 49 1 7 {} {0.604083861716 0.385995062764 0.649190330595} N5 50 1 7 {} {0.606308310411 0.258286742796 0.327972773314} N6 51 1 1 {} {0.643726249327 0.640679596601 0.560979757287} H22 52 1 1 {} {0.684592436082 0.623111916287 0.476709183845} H23 53 1 1 {} {0.615647561529 0.624477141765 0.310283849635} H24 54 1 1 {} {0.556810576029 0.577351548239 0.578907273901} H25 55 1 1 {} {0.541896528759 0.537446374616 0.475869358439} H26 56 1 1 {} {0.538519035311 0.628082624692 0.486004673533} H27 57 1 1 {} {0.595737813636 0.826489239728 0.458919112548} H28 58 1 1 {} {0.598631912257 0.781785400702 0.56143236217} H29 59 1 1 {} {0.564444230005 0.752059667617 0.473437455814} H30 60 1 1 {} {0.647810683425 0.751789215927 0.294354005484} H31 61 1 1 {} {0.692249842112 0.802392819127 0.50374876312} H32 62 1 1 {} {0.648756065607 0.417533214867 0.340460598548} H33 63 1 1 {} {0.676890662566 0.402136840194 0.492605849809} H34 64 1 1 {} {0.53053242592 0.289279516106 0.400253860256} H35 65 1 1 {} {0.564144800829 0.364144849389 0.28737562421} H36 66 1 1 {} {0.52981250043 0.415443746645 0.570062674135} H37 67 1 1 {} {0.550229762978 0.296844834874 0.573601064999} H38 68 1 1 {} {0.608341207096 0.433711197861 0.663608518067} H39 69 1 1 {} {0.628932830225 0.356754720657 0.66190252428} H40 70 1 1 {} {0.631478251141 0.269082537258 0.284407327589} H41 71 1 1 {} {0.616276162859 0.219242962823 0.369283165938} 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