#MD System 2.0 @Title neb0_image01 @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 {} {0.201524590481 0.529018205346 0.309636923607} C1 1 1 14 {} {0.255801872302 0.494762986212 0.266249724768} Si1 2 1 14 {} {0.15588767849 0.53859972383 0.226564441188} Si2 3 1 8 {} {0.270634080275 0.53513553155 0.173425434512} O1 4 1 8 {} {0.293806327467 0.515683949621 0.342744555312} O2 5 1 6 {} {0.25564024919 0.401465724449 0.255364972124} C2 6 1 6 {} {0.124965988898 0.457320770784 0.206006990524} C3 7 1 8 {} {0.181472222899 0.565512034756 0.13361201741} O3 8 1 8 {} {0.11748430555 0.600289986985 0.243365376251} O4 9 1 14 {} {0.346851532854 0.543036013966 0.339953426523} Si3 10 1 7 {} {0.380738607935 0.475520135435 0.379448281211} N1 11 1 14 {} {0.436113822018 0.47785734045 0.338704007643} Si4 12 1 14 {} {0.360989036917 0.422867994878 0.466993360883} Si5 13 1 7 {} {0.334765195877 0.465411897672 0.549951907405} N2 14 1 7 {} {0.456029743281 0.560458028282 0.341823215945} N3 15 1 1 {} {0.190434009263 0.497315601106 0.366026654494} H1 16 1 1 {} {0.208877748927 0.579946629761 0.335382977028} H2 17 1 1 {} {0.243067921908 0.546354088407 0.137285109704} H3 18 1 1 {} {0.251200352481 0.379984906628 0.321674940204} H4 19 1 1 {} {0.287672720541 0.384154947641 0.228556290898} H5 20 1 1 {} {0.229066079121 0.384079271325 0.211718314035} H6 21 1 1 {} {0.0976484439598 0.460945239541 0.156170027836} H7 22 1 1 {} {0.110597737677 0.437466890472 0.268852565088} H8 23 1 1 {} {0.1496637306 0.419519546608 0.182406311302} H9 24 1 1 {} {0.163604760817 0.584639350052 0.0872689680607} H10 25 1 1 {} {0.0918267157804 0.591853570091 0.27454518872} H11 26 1 1 {} {0.362362045601 0.559344767679 0.247196318591} H12 27 1 1 {} {0.348226932153 0.601587229806 0.401698790968} H13 28 1 1 {} {0.461443636774 0.428788607392 0.395465434954} H14 29 1 1 {} {0.439467295436 0.45919788353 0.23955718033} H15 30 1 1 {} {0.329538506994 0.375715228551 0.428316178744} H16 31 1 1 {} {0.400340092136 0.391594072558 0.504666177076} H17 32 1 1 {} {0.302524141005 0.48319226233 0.543477478736} H18 33 1 1 {} {0.35228533234 0.490943811826 0.595656520728} H19 34 1 1 {} {0.479750702802 0.572438066354 0.299288568806} H20 35 1 1 {} {0.461291518043 0.579857170347 0.408705670167} H21 36 1 6 {} {0.657509266476 0.632917414649 0.506218004867} C4 37 1 14 {} {0.61726505816 0.571646529111 0.454217535909} Si6 38 1 14 {} {0.654774318944 0.719309600908 0.463814890899} Si7 39 1 8 {} {0.615727383766 0.582157520269 0.344785761455} O5 40 1 8 {} {0.634483217143 0.494334195984 0.478105761942} O6 41 1 6 {} {0.561656792262 0.579769576463 0.504471885149} C5 42 1 6 {} {0.608527891752 0.771528575273 0.511059809564} C6 43 1 8 {} {0.643103468185 0.713955102494 0.353891870433} O7 44 1 8 {} {0.704286663865 0.754515930122 0.479960562006} O8 45 1 14 {} {0.647203123222 0.417405136221 0.450159034178} Si8 46 1 7 {} {0.603084986231 0.366269650114 0.475153167819} N4 47 1 14 {} {0.584398029655 0.314591389921 0.3856676253} Si9 48 1 14 {} {0.578016491006 0.367893802895 0.575541690592} Si10 49 1 7 {} {0.616356357815 0.384655588947 0.665593978281} N5 50 1 7 {} {0.620340750422 0.253504861341 0.350092312486} N6 51 1 1 {} {0.651651217623 0.634043939 0.579153991949} H22 52 1 1 {} {0.691238442838 0.61152406271 0.498477898579} H23 53 1 1 {} {0.627815547939 0.625585258058 0.32591608988} H24 54 1 1 {} {0.564296466974 0.566963485303 0.575602523683} H25 55 1 1 {} {0.539145888275 0.544485937001 0.470525843566} H26 56 1 1 {} {0.548433023326 0.631003442769 0.497207674323} H27 57 1 1 {} {0.608279633128 0.82118511907 0.477863657192} H28 58 1 1 {} {0.608354888336 0.777583651408 0.584914517759} H29 59 1 1 {} {0.577066527786 0.745884416072 0.489743720768} H30 60 1 1 {} {0.65557727085 0.749688583362 0.315858697096} H31 61 1 1 {} {0.704715832029 0.795895554419 0.518763647748} H32 62 1 1 {} {0.659266224287 0.413482015079 0.354245179894} H33 63 1 1 {} {0.686712863282 0.400651208619 0.505810660435} H34 64 1 1 {} {0.543140465802 0.281282169147 0.416835762584} H35 65 1 1 {} {0.575815104412 0.359057230821 0.305132285127} H36 66 1 1 {} {0.544170742889 0.422083706552 0.58416523799} H37 67 1 1 {} {0.558219454999 0.300729313229 0.594438596018} H38 68 1 1 {} {0.62210349978 0.43021355433 0.686123308281} H39 69 1 1 {} {0.641121970998 0.352626140475 0.677826185126} H40 70 1 1 {} {0.647982975689 0.266904406563 0.307884591444} H41 71 1 1 {} {0.632240232512 0.220114555332 0.396823003755} 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