#MD System 2.0 @Title neb0_image06 @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 {} {0.36753613111 0.570562651988 0.412098980692} C1 1 1 14 {} {0.344249765394 0.543911071569 0.52278953798} Si1 2 1 14 {} {0.429183418883 0.581375772326 0.407682270335} Si2 3 1 8 {} {0.357396019478 0.600657547735 0.598796908478} O1 4 1 8 {} {0.289251772003 0.542026704975 0.515849733933} O2 5 1 6 {} {0.363189090747 0.458697678447 0.557468130184} C2 6 1 6 {} {0.46042980565 0.501189706966 0.393006962133} C3 7 1 8 {} {0.442127448806 0.616384455139 0.50654141845} O3 8 1 8 {} {0.442219985734 0.632734823113 0.324570492905} O4 9 1 14 {} {0.238867903975 0.546643109332 0.557068426369} Si3 10 1 7 {} {0.21915556069 0.468548164685 0.59121604927} N1 11 1 14 {} {0.196702379942 0.460264065663 0.698670053542} Si4 12 1 14 {} {0.219719880937 0.400850029381 0.516183801473} Si5 13 1 7 {} {0.213660567788 0.422275477224 0.405839786893} N2 14 1 7 {} {0.14627593125 0.499312837975 0.718739502458} N3 15 1 1 {} {0.357521211753 0.53481431948 0.359777584538} H1 16 1 1 {} {0.351904444247 0.618916752504 0.395084511077} H2 17 1 1 {} {0.387265003411 0.619090642251 0.589173516051} H3 18 1 1 {} {0.354471353113 0.420127190995 0.508145464056} H4 19 1 1 {} {0.347484002419 0.444908249952 0.621188658258} H5 20 1 1 {} {0.399530148469 0.457492594532 0.56745122675} H6 21 1 1 {} {0.496518273587 0.510782726623 0.389844015042} H7 22 1 1 {} {0.450841042687 0.476900133128 0.32999930623} H8 23 1 1 {} {0.454308945175 0.465607736733 0.447495563486} H9 24 1 1 {} {0.472875257862 0.630994208965 0.512772175652} H10 25 1 1 {} {0.474192465903 0.635591051252 0.313218181034} H11 26 1 1 {} {0.237119125293 0.590857517069 0.637326039519} H12 27 1 1 {} {0.209986931427 0.574793506162 0.485413595649} H13 28 1 1 {} {0.189986659328 0.387184731349 0.712948110612} H14 29 1 1 {} {0.228242702989 0.489465509263 0.764695791359} H15 30 1 1 {} {0.263030773264 0.364362482202 0.521996895972} H16 31 1 1 {} {0.182146622722 0.356166382975 0.542748452556} H17 32 1 1 {} {0.240653124005 0.436705457783 0.369662095065} H18 33 1 1 {} {0.185621325344 0.445438812773 0.383524404753} H19 34 1 1 {} {0.145495804035 0.548899655927 0.733840157979} H20 35 1 1 {} {0.118227041616 0.485571746386 0.685254996836} H21 36 1 6 {} {0.623281685534 0.622119821419 0.350909457969} C4 37 1 14 {} {0.580195811977 0.559600588809 0.388305157908} Si6 38 1 14 {} {0.617638859552 0.710594188371 0.387382298076} Si7 39 1 8 {} {0.529915372996 0.595237987761 0.382892851984} O5 40 1 8 {} {0.580964202661 0.495114683157 0.321208650996} O6 41 1 6 {} {0.5912444138 0.527643782286 0.503198896631} C5 42 1 6 {} {0.63578788641 0.727657637712 0.504605516981} C6 43 1 8 {} {0.562785782326 0.725433057747 0.37584203789} O7 44 1 8 {} {0.645495989657 0.759902734115 0.31757471842} O8 45 1 14 {} {0.574563226066 0.434712935474 0.248301216582} Si8 46 1 7 {} {0.587057949994 0.356652704781 0.291288465939} N4 47 1 14 {} {0.543443526833 0.300313774516 0.314713204256} Si9 48 1 14 {} {0.641603138163 0.331302816203 0.316517003644} Si10 49 1 7 {} {0.68270870747 0.37739920044 0.265430113017} N5 50 1 7 {} {0.519421691657 0.257140465372 0.227904262166} N6 51 1 1 {} {0.656698401459 0.603776324872 0.369689457355} H22 52 1 1 {} {0.622547374385 0.622908796902 0.277233448261} H23 53 1 1 {} {0.532156442733 0.644289026104 0.377947919885} H24 54 1 1 {} {0.623363942804 0.501073334434 0.505874277459} H25 55 1 1 {} {0.565155373021 0.492092264836 0.523525465023} H26 56 1 1 {} {0.592167493274 0.568155776321 0.552802286792} H27 57 1 1 {} {0.630529100239 0.780430440396 0.522782788419} H28 58 1 1 {} {0.671381288424 0.716261533496 0.513983644617} H29 59 1 1 {} {0.616811545171 0.697103443199 0.552364665384} H30 60 1 1 {} {0.552357899321 0.771296873429 0.372994280731} H31 61 1 1 {} {0.663321811613 0.795669916134 0.342676335327} H32 62 1 1 {} {0.526908902812 0.432829148759 0.219564648799} H33 63 1 1 {} {0.603769301607 0.450799928935 0.170780787023} H34 64 1 1 {} {0.563402832116 0.249647036866 0.375982811015} H35 65 1 1 {} {0.506699972982 0.338318474224 0.358034595811} H36 66 1 1 {} {0.650900520647 0.337354498606 0.41402725328} H37 67 1 1 {} {0.64538831716 0.259874664245 0.288462067426} H38 68 1 1 {} {0.695883700957 0.418293089604 0.295710518954} H39 69 1 1 {} {0.6856537405 0.380467840615 0.198056968088} H40 70 1 1 {} {0.497366917437 0.280560368122 0.186905935897} H41 71 1 1 {} {0.536961280604 0.221801588133 0.193994816647} 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