#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 {} {0.358166073965 0.546632749139 0.413975316719} C1 1 1 14 {} {0.334780761092 0.520111599926 0.524743515027} Si1 2 1 14 {} {0.419836071626 0.557448248355 0.409692586949} Si2 3 1 8 {} {0.347959720718 0.576861360064 0.600685808417} O1 4 1 8 {} {0.279771253115 0.518557407835 0.51759930853} O2 5 1 6 {} {0.353680067259 0.434817113153 0.559451892894} C2 6 1 6 {} {0.451030432653 0.477205130534 0.395076412381} C3 7 1 8 {} {0.432802722721 0.592176805325 0.508719465251} O3 8 1 8 {} {0.433028501724 0.608900349148 0.326752078794} O4 9 1 14 {} {0.229369204374 0.522863851737 0.558927876816} Si3 10 1 7 {} {0.20974624417 0.444706070073 0.593113557825} N1 11 1 14 {} {0.187318163218 0.436441088037 0.700605227198} Si4 12 1 14 {} {0.210303925521 0.377005726627 0.518055117018} Si5 13 1 7 {} {0.204224242668 0.398183248974 0.407618547355} N2 14 1 7 {} {0.136896059109 0.47551722714 0.720746628564} N3 15 1 1 {} {0.348124954389 0.510849396808 0.361729279132} H1 16 1 1 {} {0.342519033077 0.594962523731 0.396987741037} H2 17 1 1 {} {0.377841370055 0.59514175568 0.591200996663} H3 18 1 1 {} {0.344990515737 0.396223135563 0.510078661587} H4 19 1 1 {} {0.337959072585 0.420944926475 0.623153172802} H5 20 1 1 {} {0.390033007537 0.433576255943 0.569434413632} H6 21 1 1 {} {0.48713901625 0.486686695391 0.392042490899} H7 22 1 1 {} {0.441460917403 0.452869812915 0.33209163754} H8 23 1 1 {} {0.444845234252 0.441673789813 0.449620326416} H9 24 1 1 {} {0.463433474658 0.607146154019 0.514912881196} H10 25 1 1 {} {0.464951184518 0.61204291243 0.315423603065} H11 26 1 1 {} {0.227724338091 0.56703106121 0.639192253555} H12 27 1 1 {} {0.200514962901 0.550947521076 0.487278248074} H13 28 1 1 {} {0.180623087509 0.363371114781 0.714861534082} H14 29 1 1 {} {0.218860274867 0.465601981993 0.766626069773} H15 30 1 1 {} {0.253563264664 0.340452745128 0.523887430344} H16 31 1 1 {} {0.172702306805 0.33242227105 0.544704634025} H17 32 1 1 {} {0.231233994637 0.412852367261 0.371594590141} H18 33 1 1 {} {0.17624236565 0.421616369041 0.38550100684} H19 34 1 1 {} {0.136095992703 0.525122290737 0.735774348975} H20 35 1 1 {} {0.10884699334 0.461697345807 0.687314584227} H21 36 1 6 {} {0.632675911916 0.645995279917 0.348983278191} C4 37 1 14 {} {0.589543597282 0.583498687526 0.38636782737} Si6 38 1 14 {} {0.627027230402 0.734468519045 0.385499667442} Si7 39 1 8 {} {0.539235136424 0.61888549923 0.380642180685} O5 40 1 8 {} {0.590386663774 0.518922836645 0.319271701816} O6 41 1 6 {} {0.600606572524 0.551600603101 0.501291229915} C5 42 1 6 {} {0.645220444234 0.751509238451 0.50265995312} C6 43 1 8 {} {0.572198986235 0.749304533501 0.373980546001} O7 44 1 8 {} {0.654807472306 0.783832880648 0.315594845878} O8 45 1 14 {} {0.584016600057 0.458633124394 0.246277209236} Si8 46 1 7 {} {0.596511654447 0.380539614608 0.289209029831} N4 47 1 14 {} {0.552950655028 0.324262614617 0.312802727203} Si9 48 1 14 {} {0.651109550005 0.355220290751 0.314542911932} Si10 49 1 7 {} {0.692143035087 0.401416383159 0.263451832056} N5 50 1 7 {} {0.528985368402 0.281120352001 0.225836339276} N6 51 1 1 {} {0.666076564544 0.627609347106 0.367689306014} H22 52 1 1 {} {0.631905044109 0.64679497412 0.275333117272} H23 53 1 1 {} {0.54133426484 0.667954421197 0.375904320271} H24 54 1 1 {} {0.632719152889 0.525014570239 0.504092147827} H25 55 1 1 {} {0.574495212149 0.516071688225 0.521615149199} H26 56 1 1 {} {0.601495208827 0.592155969324 0.550844975513} H27 57 1 1 {} {0.639962627616 0.804290300134 0.520833140996} H28 58 1 1 {} {0.680814187293 0.740097775087 0.512024502356} H29 59 1 1 {} {0.626224621382 0.720950679169 0.550391566446} H30 60 1 1 {} {0.561803008711 0.795170749123 0.371050661722} H31 61 1 1 {} {0.67273834393 0.819506201386 0.340641263786} H32 62 1 1 {} {0.536340768618 0.456648963689 0.217565681477} H33 63 1 1 {} {0.61318707016 0.474710306755 0.168696022431} H34 64 1 1 {} {0.572836863023 0.273429574088 0.373952225066} H35 65 1 1 {} {0.516101172151 0.362009255692 0.356100532135} H36 66 1 1 {} {0.660331105737 0.36132186496 0.412091978305} H37 67 1 1 {} {0.654888016237 0.283794397242 0.286471892682} H38 68 1 1 {} {0.705384776533 0.44221990839 0.293717648053} H39 69 1 1 {} {0.695085087002 0.404353541366 0.196093227072} H40 70 1 1 {} {0.506760130767 0.304335677108 0.184936861202} H41 71 1 1 {} {0.546401406972 0.245625220816 0.191920932454} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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