#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 {} {0.214252384283 0.527051467445 0.323501016248} C1 1 1 14 {} {0.268010242777 0.489537382586 0.28256216458} Si1 2 1 14 {} {0.167571478259 0.53522878075 0.243385543717} Si2 3 1 8 {} {0.2805894446 0.520144376778 0.183266757394} O1 4 1 8 {} {0.306821792115 0.511841512468 0.35439896946} O2 5 1 6 {} {0.266087121694 0.396224654973 0.276526230217} C2 6 1 6 {} {0.136134326619 0.455544187501 0.225612653451} C3 7 1 8 {} {0.191587994908 0.562202562347 0.149051079862} O3 8 1 8 {} {0.132013003189 0.595558125808 0.272599502236} O4 9 1 14 {} {0.35849301281 0.539493279444 0.35826284857} Si3 10 1 7 {} {0.391951216815 0.474409423169 0.397631885603} N1 11 1 14 {} {0.444398706408 0.472757463469 0.347867708098} Si4 12 1 14 {} {0.373429563681 0.421322020589 0.482553288717} Si5 13 1 7 {} {0.344652591539 0.459543108293 0.568900327233} N2 14 1 7 {} {0.457093629047 0.556694131553 0.338479811544} N3 15 1 1 {} {0.20284277582 0.49889173067 0.382452517125} H1 16 1 1 {} {0.222518508672 0.577815803982 0.347348958531} H2 17 1 1 {} {0.255699453049 0.542810181862 0.153374938004} H3 18 1 1 {} {0.260611720512 0.372852898978 0.34203454216} H4 19 1 1 {} {0.297700150877 0.376914667044 0.249547772273} H5 20 1 1 {} {0.239306507834 0.379772814882 0.231369405627} H6 21 1 1 {} {0.109635469294 0.46217002888 0.17573758576} H7 22 1 1 {} {0.120462553107 0.438434649789 0.287905207955} H8 23 1 1 {} {0.158010860746 0.415052919639 0.202255839081} H9 24 1 1 {} {0.172738921696 0.584977355137 0.10642746852} H10 25 1 1 {} {0.103773274586 0.58212923707 0.298045387622} H11 26 1 1 {} {0.374548699452 0.559262110156 0.269012768927} H12 27 1 1 {} {0.35857316407 0.59770965482 0.420967729397} H13 28 1 1 {} {0.47299068324 0.43041383398 0.404733968926} H14 29 1 1 {} {0.446760589569 0.444361226397 0.254876393284} H15 30 1 1 {} {0.341828324998 0.371184965575 0.444956403302} H16 31 1 1 {} {0.413292147826 0.38790178217 0.522259655857} H17 32 1 1 {} {0.31294992156 0.47627733944 0.557768953868} H18 33 1 1 {} {0.360214026812 0.490719736068 0.612525078043} H19 34 1 1 {} {0.488023962484 0.565063469151 0.312869775224} H20 35 1 1 {} {0.453559902211 0.5828580591 0.396615166909} H21 36 1 6 {} {0.651963656066 0.640584304732 0.488210153257} C4 37 1 14 {} {0.61129338818 0.576904999728 0.446869606637} Si6 38 1 14 {} {0.645173412703 0.726743961345 0.442418093409} Si7 39 1 8 {} {0.60012614559 0.585752448144 0.340227376372} O5 40 1 8 {} {0.630210431434 0.500853252224 0.465342356941} O6 41 1 6 {} {0.558087870107 0.581398585806 0.508795716241} C5 42 1 6 {} {0.59655114926 0.775947687712 0.487506107681} C6 43 1 8 {} {0.639824143268 0.715274010634 0.332334953099} O7 44 1 8 {} {0.692087620464 0.770585281938 0.456185235885} O8 45 1 14 {} {0.637764041958 0.422310740738 0.437234881905} Si8 46 1 7 {} {0.591640608836 0.370951624578 0.454394415852} N4 47 1 14 {} {0.57158315304 0.321569439104 0.365616060135} Si9 48 1 14 {} {0.567191271397 0.366332507462 0.56180970451} Si10 49 1 7 {} {0.60202031748 0.385710122189 0.6471990576} N5 50 1 7 {} {0.606075325011 0.257871264909 0.327710440032} N6 51 1 1 {} {0.645918092672 0.64203824506 0.560776474421} H22 52 1 1 {} {0.687128807149 0.625936627337 0.47762156442} H23 53 1 1 {} {0.614028083422 0.62394731278 0.311217938443} H24 54 1 1 {} {0.560608758349 0.580456009198 0.582357918182} H25 55 1 1 {} {0.541209870128 0.535907236922 0.485463290174} H26 56 1 1 {} {0.5384690637 0.625265675106 0.489061095623} H27 57 1 1 {} {0.595455859204 0.826571786249 0.458210041534} H28 58 1 1 {} {0.598464554652 0.782006345216 0.560468286999} H29 59 1 1 {} {0.564313029243 0.752017965548 0.472616373863} H30 60 1 1 {} {0.647421080298 0.752000973535 0.292820348313} H31 61 1 1 {} {0.692222606791 0.803873823995 0.503681605223} H32 62 1 1 {} {0.648395451006 0.417277099266 0.340268040723} H33 63 1 1 {} {0.676734954664 0.401229493731 0.491806549696} H34 64 1 1 {} {0.53002859725 0.289296579011 0.399836125757} H35 65 1 1 {} {0.563720237122 0.364300014217 0.286707346468} H36 66 1 1 {} {0.52927980318 0.415123850469 0.56917599645} H37 67 1 1 {} {0.549913412859 0.296916527683 0.572426907055} H38 68 1 1 {} {0.608082077889 0.434560835518 0.663501060995} H39 69 1 1 {} {0.629394912797 0.356348520105 0.661569210298} H40 70 1 1 {} {0.630795799216 0.268987521985 0.283343707342} H41 71 1 1 {} {0.61537206862 0.219323266124 0.367338817162} 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