#MD System 2.0 @Title neb0_image08 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Freeze int 0 Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.122708211654 0.131003006553 0.386224281946} 7 Si1 1 0.0 1 14 {} {0.368377361654 0.124901556553 0.307360021946} 7 Si2 2 0.0 1 14 {} {0.304028508003 0.0892482708209 0.609325987264} 0 Si3 3 0.0 1 14 {} {0.095087421654 0.398446476553 0.149884771946} 7 Si4 4 0.0 1 14 {} {0.088083261654 0.382900576553 0.462775671946} 7 Si5 5 0.0 1 14 {} {0.346126681654 0.371788476553 0.228837961946} 7 Si6 6 0.0 1 14 {} {0.341123439848 0.349658435922 0.53713911861} 0 Si7 7 0.0 1 8 {} {0.066130041654 0.0181598165528 0.103561911946} 7 O1 8 0.0 1 8 {} {0.076044611654 0.0316785365528 0.438698211946} 7 O2 9 0.0 1 8 {} {0.296016231654 0.243699776553 0.268624251946} 7 O3 10 0.0 1 8 {} {0.306114199484 0.188120629063 0.552719040465} 0 O4 11 0.0 1 8 {} {0.148959931654 0.271619056553 0.107811101946} 7 O5 12 0.0 1 8 {} {0.150729671654 0.279512666553 0.415199251946} 7 O6 13 0.0 1 8 {} {0.412716251654 0.492519186553 0.268101671946} 7 O7 14 0.0 1 8 {} {0.354875295867 0.442227058676 0.595971317283} 0 O8 15 0.0 1 8 {} {0.459728001654 0.311865896553 0.184301581946} 7 O9 16 0.0 1 8 {} {0.442987221654 0.377876506553 0.480870871946} 7 O10 17 0.0 1 8 {} {0.217261261654 0.438449826553 0.194616581946} 7 O11 18 0.0 1 8 {} {0.192835440584 0.406197247034 0.514296225831} 0 O12 19 0.0 1 8 {} {0.261885801654 0.0732002665528 0.356510001946} 7 O13 20 0.0 1 8 {} {0.151118037685 0.0744747383081 0.637008487584} 0 O14 21 0.0 1 8 {} {0.00855935165399 0.147641226553 0.336342061946} 7 O15 22 0.0 1 8 {} {0.896066408332 0.231180719924 0.657742476499} 0 O16 23 0.0 1 14 {} {0.123513521654 0.632127466553 0.382182411946} 7 Si8 24 0.0 1 14 {} {0.374270201654 0.625197456553 0.306870531946} 7 Si9 25 0.0 1 14 {} {0.320597118496 0.598126572322 0.616387874417} 0 Si10 26 0.0 1 14 {} {0.108174081654 0.896961156553 0.146791781946} 7 Si11 27 0.0 1 14 {} {0.082945371654 0.876932686553 0.463772411946} 7 Si12 28 0.0 1 14 {} {0.354278111654 0.872692206553 0.228703301946} 7 Si13 29 0.0 1 14 {} {0.340500374719 0.840876234085 0.538870947166} 0 Si14 30 0.0 1 8 {} {0.045334421654 0.523278396553 0.109925121946} 7 O17 31 0.0 1 8 {} {0.065445831654 0.530034346553 0.431482711946} 7 O18 32 0.0 1 8 {} {0.302869111654 0.745098966553 0.268447791946} 7 O19 33 0.0 1 8 {} {0.375205801812 0.687264577152 0.561038521367} 0 O20 34 0.0 1 8 {} {0.160348101654 0.765560366553 0.106869641946} 7 O21 35 0.0 1 8 {} {0.138591091654 0.781232656553 0.412340781946} 7 O22 36 0.0 1 8 {} {0.416300641654 0.995190496553 0.268515351946} 7 O23 37 0.0 1 8 {} {0.372720622135 0.943276883554 0.591955241556} 0 O24 38 0.0 1 8 {} {0.471145721654 0.812345776553 0.185809181946} 7 O25 39 0.0 1 8 {} {0.434386931654 0.873184206553 0.483853581946} 7 O26 40 0.0 1 8 {} {0.228066921654 0.937925536553 0.192387241946} 7 O27 41 0.0 1 8 {} {0.181825960267 0.867140470791 0.519709478359} 0 O28 42 0.0 1 8 {} {0.271629631654 0.580313006553 0.358637481946} 7 O29 43 0.0 1 8 {} {0.023275981654 0.645250796553 0.327201401946} 7 O30 44 0.0 1 8 {} {0.932080100402 0.544043560083 0.677498151207} 0 O31 45 0.0 1 14 {} {0.619453501654 0.174138416553 0.386938211946} 7 Si15 46 0.0 1 14 {} {0.864124341654 0.0998513365528 0.308409651946} 7 Si16 47 0.0 1 14 {} {0.812841023781 0.121958386561 0.616680879973} 0 Si17 48 0.0 1 14 {} {0.591324001654 0.369948786553 0.148746831946} 7 Si18 49 0.0 1 14 {} {0.594677061654 0.425628206553 0.461194031946} 7 Si19 50 0.0 1 14 {} {0.841559711654 0.348496766553 0.229695661946} 7 Si20 51 0.0 1 14 {} {0.832831588473 0.353511341227 0.53619928007} 0 Si21 52 0.0 1 8 {} {0.552519191654 0.990758496553 0.104730601946} 7 O32 53 0.0 1 8 {} {0.570096511654 0.0832057165528 0.441717141946} 7 O33 54 0.0 1 8 {} {0.811984561654 0.197861666553 0.256706141946} 7 O34 55 0.0 1 8 {} {0.781882969681 0.200231480608 0.555795696014} 0 O35 56 0.0 1 8 {} {0.645046161654 0.239771426553 0.108493721946} 7 O36 57 0.0 1 8 {} {0.653363361654 0.327638496553 0.410428401946} 7 O37 58 0.0 1 8 {} {0.873631381654 0.447835646553 0.283775421946} 7 O38 59 0.0 1 8 {} {0.915993542883 0.429711851513 0.586155185247} 0 O39 60 0.0 1 8 {} {0.969670491654 0.332269276553 0.186112201946} 7 O40 61 0.0 1 8 {} {0.941009911654 0.329442706553 0.487342571946} 7 O41 62 0.0 1 8 {} {0.710819451654 0.408258946553 0.194766301946} 7 O42 63 0.0 1 8 {} {0.700836587316 0.436853598053 0.514598579081} 0 O43 64 0.0 1 8 {} {0.753356381654 0.100451126553 0.360046031946} 7 O44 65 0.0 1 8 {} {0.668159476131 0.0960600666209 0.651310460103} 0 O45 66 0.0 1 8 {} {0.502812361654 0.188906406553 0.338139771946} 7 O46 67 0.0 1 8 {} {0.39413486659 0.147916516818 0.663035836684} 0 O47 68 0.0 1 14 {} {0.626832201654 0.679764246553 0.385354211946} 7 Si22 69 0.0 1 14 {} {0.870521791654 0.605568116553 0.305283711946} 7 Si23 70 0.0 1 14 {} {0.816487450596 0.657007297629 0.652476781096} 0 Si24 71 0.0 1 14 {} {0.598630591654 0.870474396553 0.147809221946} 7 Si25 72 0.0 1 14 {} {0.584697251654 0.925820416553 0.463434501946} 7 Si26 73 0.0 1 14 {} {0.851657301654 0.851248386553 0.226644051946} 7 Si27 74 0.0 1 14 {} {0.835971795838 0.856352109375 0.545108613939} 0 Si28 75 0.0 1 8 {} {0.548751601654 0.491951546553 0.105937891946} 7 O48 76 0.0 1 8 {} {0.582420421654 0.581976156553 0.438287041946} 7 O49 77 0.0 1 8 {} {0.820709271654 0.698640306553 0.251647191946} 7 O50 78 0.0 1 8 {} {0.82661740639 0.718994171706 0.586326968307} 0 O51 79 0.0 1 8 {} {0.649162051654 0.738819106553 0.107729871946} 7 O52 80 0.0 1 8 {} {0.642995081654 0.833674086553 0.411149581946} 7 O53 81 0.0 1 8 {} {0.884119761654 0.947563386553 0.281791851946} 7 O54 82 0.0 1 8 {} {0.88566664413 0.978340802395 0.593380380209} 0 O55 83 0.0 1 8 {} {0.979658241654 0.837571406553 0.183084821946} 7 O56 84 0.0 1 8 {} {0.931205901654 0.831550836553 0.486226351946} 7 O57 85 0.0 1 8 {} {0.721326351654 0.912488236553 0.191851981946} 7 O58 86 0.0 1 8 {} {0.688373597149 0.908280373784 0.519342820633} 0 O59 87 0.0 1 8 {} {0.770772091654 0.624976226553 0.359995681946} 7 O60 88 0.0 1 8 {} {0.671169918194 0.572200126928 0.660352177092} 0 O61 89 0.0 1 8 {} {0.514737691654 0.684396836553 0.334435131946} 7 O62 90 0.0 1 8 {} {0.396467389145 0.622314872588 0.678282758165} 0 O63 91 0.0 1 1 {} {0.097708311654 0.115016466553 0.107670391946} 7 H1 92 0.0 1 1 {} {0.194281351654 0.300771946553 0.0729498019457} 7 H2 93 0.0 1 1 {} {0.090496511654 0.615055626553 0.109965351946} 7 H3 94 0.0 1 1 {} {0.204595301654 0.791082096553 0.0712684519457} 7 H4 95 0.0 1 1 {} {0.586913041654 0.0868872465528 0.108447701946} 7 H5 96 0.0 1 1 {} {0.683656501654 0.267020256553 0.0719906719457} 7 H6 97 0.0 1 1 {} {0.587183351654 0.586589546553 0.108719711946} 7 H7 98 0.0 1 1 {} {0.689145211654 0.764754316553 0.0713139819457} 7 H8 99 0.0 1 14 {} {0.964449642262 0.388328723319 0.650551309539} 0 Si29 100 0.0 1 14 {} {0.544605314017 0.215554812464 0.652304186368} 0 Si30 101 0.0 1 8 {} {0.565178418925 0.336449084306 0.699074101072} 0 O64 102 0.0 1 14 {} {0.603321024146 0.497456106771 0.719712266517} 0 Si31 103 0.0 1 8 {} {0.544051922578 0.275201347564 0.586446074544} 0 O65 104 0.0 1 1 {} {0.614108706948 0.231702700922 0.562394792437} 0 H9 105 0.0 1 1 {} {0.0814795184236 0.0173846854521 0.618576793418} 0 H10 106 0.0 1 8 {} {0.830899401169 0.781683661789 0.699196132393} 0 O66 107 0.0 1 1 {} {0.76945206572 0.85959379371 0.695304026045} 0 H11 108 0.0 1 8 {} {0.121141290801 0.36514492975 0.672280717155} 0 O67 109 0.0 1 1 {} {0.146519880406 0.267863157794 0.673222309849} 0 H12 110 0.0 1 8 {} {0.161308693988 0.649367784658 0.622786724496} 0 O68 111 0.0 1 1 {} {0.110169305693 0.616168708264 0.655951003607} 0 H13 112 0.0 1 8 {} {0.73823387466 0.446355452583 0.760564272706} 0 O69 113 0.0 1 1 {} {0.815030440162 0.506846508749 0.767396555888} 0 H14 114 0.0 1 8 {} {0.507587984544 0.586788467508 0.770179468195} 0 O70 115 0.0 1 1 {} {0.53712878514 0.570074842057 0.807576484084} 0 H15 116 0.0 1 1 {} {0.370247296438 0.681331114467 0.70797471271} 0 H16 117 0.0 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} {9.74432 9.74432 23.42768 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{9.74432 0 0} {0 9.74432 0} {0 0 23.42768}} {{0.102623887557 0 0} {0 0.102623887557 0} {0 0 0.0426845509244}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 76 68 0 0 49 16 0 0 16 6 0 0 57 45 0 0 84 74 0 0 71 52 0 0 61 4 0 0 35 27 0 0 102 88 0 0 60 50 0 0 81 46 0 0 95 52 0 0 39 29 0 0 13 5 0 0 21 0 0 0 46 21 0 0 43 23 0 0 59 51 0 0 103 100 0 0 26 7 0 0 17 5 0 0 37 29 0 0 66 45 0 0 32 28 0 0 70 44 0 0 77 73 0 0 105 20 0 0 80 72 0 0 48 15 0 0 58 50 0 0 12 0 0 0 17 3 0 0 40 26 0 0 85 71 0 0 55 47 0 0 40 28 0 0 27 8 0 0 90 25 0 2 31 23 0 0 19 0 0 0 14 6 0 0 42 23 0 0 82 74 0 0 37 2 0 0 93 30 0 0 63 51 0 0 79 71 0 0 8 0 0 0 57 49 0 0 76 49 0 0 25 14 0 0 33 25 0 0 106 70 0 0 65 47 0 0 78 70 0 0 89 24 0 0 67 2 0 0 75 48 0 0 31 4 0 0 96 56 0 0 101 100 0 0 87 69 0 0 84 27 0 0 10 2 0 0 94 34 0 0 69 58 0 0 77 69 0 0 107 106 0 0 10 6 0 0 53 45 0 0 109 108 0 0 36 28 0 0 87 68 0 0 35 23 0 0 61 51 0 0 82 47 0 0 80 68 0 0 18 6 0 0 89 68 0 0 33 29 0 0 78 74 0 0 81 73 0 0 108 99 0 0 69 43 0 0 102 101 0 0 18 4 0 0 41 27 0 0 54 50 0 0 86 72 0 0 56 48 0 0 41 29 0 0 104 103 0 0 9 1 0 0 32 24 0 0 92 11 0 0 9 5 0 0 112 102 0 0 72 53 0 0 110 25 0 0 91 7 0 0 111 110 0 0 34 26 0 0 113 112 0 0 19 1 0 0 42 24 0 0 115 114 0 0 64 46 0 0 11 3 0 0 30 3 0 0 85 73 0 0 47 22 0 0 60 3 0 0 54 46 0 0 97 75 0 0 66 1 0 0 88 70 0 0 99 59 0 0 83 26 0 0 24 13 0 0 99 44 0 0 64 45 0 0 98 79 0 0 55 51 0 0 71 38 0 0 15 5 0 0 100 67 0 0 100 65 0 0 62 48 0 0 12 4 0 0 86 74 0 0 20 2 0 0 62 50 0 0 38 28 0 0 83 73 0 0 72 39 0 0 99 22 0 0 63 49 0 0 36 1 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 68 76 {0 0 0} 0 1 16 49 {0 0 0} 0 2 6 16 {0 0 0} 0 3 45 57 {0 0 0} 0 4 74 84 {0 0 0} 0 5 52 71 {0 0 0} 0 6 4 61 {-1 0 0} 0 7 35 27 {0 0 0} 0 8 102 88 {0 0 0} 0 9 50 60 {0 0 0} 0 10 81 46 {0 1 0} 0 11 52 95 {0 1 0} 0 12 39 29 {0 0 0} 0 13 13 5 {0 0 0} 0 14 0 21 {0 0 0} 0 15 21 46 {-1 0 0} 0 16 23 43 {0 0 0} 0 17 59 51 {0 0 0} 0 18 100 103 {0 0 0} 0 19 7 26 {0 -1 0} 0 20 17 5 {0 0 0} 0 21 29 37 {0 0 0} 0 22 66 45 {0 0 0} 0 23 28 32 {0 0 0} 0 24 44 70 {0 0 0} 0 25 73 77 {0 0 0} 0 26 20 105 {0 0 0} 0 27 80 72 {0 0 0} 0 28 48 15 {0 0 0} 0 29 50 58 {0 0 0} 0 30 12 0 {0 0 0} 0 31 3 17 {0 0 0} 0 32 26 40 {0 0 0} 0 33 71 85 {0 0 0} 0 34 55 47 {0 0 0} 0 35 40 28 {0 0 0} 0 36 8 27 {0 -1 0} 0 37 90 25 {0 0 0} 0 38 31 23 {0 0 0} 0 39 0 19 {0 0 0} 0 40 6 14 {0 0 0} 0 41 23 42 {0 0 0} 0 42 74 82 {0 0 0} 0 43 37 2 {0 1 0} 0 44 30 93 {0 0 0} 0 45 51 63 {0 0 0} 0 46 79 71 {0 0 0} 0 47 0 8 {0 0 0} 0 48 49 57 {0 0 0} 0 49 49 76 {0 0 0} 0 50 25 14 {0 0 0} 0 51 25 33 {0 0 0} 0 52 106 70 {0 0 0} 0 53 47 65 {0 0 0} 0 54 70 78 {0 0 0} 0 55 89 24 {0 0 0} 0 56 2 67 {0 0 0} 0 57 75 48 {0 0 0} 0 58 31 4 {0 0 0} 0 59 96 56 {0 0 0} 0 60 100 101 {0 0 0} 0 61 87 69 {0 0 0} 0 62 84 27 {1 0 0} 0 63 2 10 {0 0 0} 0 64 34 94 {0 0 0} 0 65 69 58 {0 0 0} 0 66 69 77 {0 0 0} 0 67 106 107 {0 0 0} 0 68 10 6 {0 0 0} 0 69 45 53 {0 0 0} 0 70 108 109 {0 0 0} 0 71 36 28 {0 0 0} 0 72 87 68 {0 0 0} 0 73 35 23 {0 0 0} 0 74 51 61 {0 0 0} 0 75 82 47 {0 1 0} 0 76 80 68 {0 0 0} 0 77 18 6 {0 0 0} 0 78 68 89 {0 0 0} 0 79 29 33 {0 0 0} 0 80 74 78 {0 0 0} 0 81 81 73 {0 0 0} 0 82 99 108 {1 0 0} 0 83 43 69 {-1 0 0} 0 84 102 101 {0 0 0} 0 85 4 18 {0 0 0} 0 86 27 41 {0 0 0} 0 87 50 54 {0 0 0} 0 88 72 86 {0 0 0} 0 89 56 48 {0 0 0} 0 90 41 29 {0 0 0} 0 91 104 103 {0 0 0} 0 92 1 9 {0 0 0} 0 93 32 24 {0 0 0} 0 94 11 92 {0 0 0} 0 95 5 9 {0 0 0} 0 96 112 102 {0 0 0} 0 97 53 72 {0 -1 0} 0 98 110 25 {0 0 0} 0 99 7 91 {0 0 0} 0 100 111 110 {0 0 0} 0 101 26 34 {0 0 0} 0 102 113 112 {0 0 0} 0 103 1 19 {0 0 0} 0 104 24 42 {0 0 0} 0 105 115 114 {0 0 0} 0 106 64 46 {0 0 0} 0 107 3 11 {0 0 0} 0 108 3 30 {0 0 0} 0 109 85 73 {0 0 0} 0 110 47 22 {0 0 0} 0 111 60 3 {1 0 0} 0 112 46 54 {0 0 0} 0 113 97 75 {0 0 0} 0 114 66 1 {0 0 0} 0 115 88 70 {0 0 0} 0 116 59 99 {0 0 0} 0 117 26 83 {-1 0 0} 0 118 13 24 {0 0 0} 0 119 44 99 {0 0 0} 0 120 64 45 {0 0 0} 0 121 98 79 {0 0 0} 0 122 51 55 {0 0 0} 0 123 71 38 {0 0 0} 0 124 15 5 {0 0 0} 0 125 100 67 {0 0 0} 0 126 65 100 {0 0 0} 0 127 48 62 {0 0 0} 0 128 4 12 {0 0 0} 0 129 86 74 {0 0 0} 0 130 2 20 {0 0 0} 0 131 62 50 {0 0 0} 0 132 28 38 {0 0 0} 0 133 73 83 {0 0 0} 0 134 72 39 {0 0 0} 0 135 22 99 {0 0 0} 0 136 49 63 {0 0 0} 0 137 1 36 {0 -1 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