#MD System 2.0 @Title neb0_image02 @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 {} {0.205126137074 0.5289442862 0.309659511246} C1 1 1 14 {} {0.258973707793 0.491696838103 0.268245081997} Si1 2 1 14 {} {0.158336295521 0.537157262011 0.228894975311} Si2 3 1 8 {} {0.271496129625 0.524010083904 0.169925750985} O1 4 1 8 {} {0.2992541705 0.511930773178 0.33873430296} O2 5 1 6 {} {0.257004274825 0.398542852707 0.261411127284} C2 6 1 6 {} {0.126772800242 0.457449507243 0.211212210064} C3 7 1 8 {} {0.182645586477 0.562683929468 0.134346104418} O3 8 1 8 {} {0.123118978544 0.598233209815 0.256552384923} O4 9 1 14 {} {0.350613700652 0.54114329773 0.344374313607} Si3 10 1 7 {} {0.385417969654 0.478300653563 0.385982115176} N1 11 1 14 {} {0.439607572158 0.476092369745 0.344326814369} Si4 12 1 14 {} {0.365123764282 0.423939983084 0.468801893093} Si5 13 1 7 {} {0.335626464747 0.46127089786 0.554101837305} N2 14 1 7 {} {0.461599820402 0.555765457583 0.350350029183} N3 15 1 1 {} {0.193538709952 0.500296742503 0.368086779896} H1 16 1 1 {} {0.213125190434 0.579775363872 0.333575134347} H2 17 1 1 {} {0.246294320189 0.544931467803 0.139154844365} H3 18 1 1 {} {0.251789937785 0.375152269026 0.326935459493} H4 19 1 1 {} {0.288688413359 0.379328288243 0.234736094553} H5 20 1 1 {} {0.230242318721 0.381665890898 0.216555314788} H6 21 1 1 {} {0.100344143994 0.463901368004 0.160979820656} H7 22 1 1 {} {0.111131304323 0.439811688338 0.273357464984} H8 23 1 1 {} {0.149171327367 0.417602060522 0.187612611236} H9 24 1 1 {} {0.164129942929 0.586235507258 0.0915438502135} H10 25 1 1 {} {0.0946795527155 0.585714511076 0.282313580522} H11 26 1 1 {} {0.367018855771 0.561192480267 0.25478201664} H12 27 1 1 {} {0.349406934422 0.599798794771 0.405319308131} H13 28 1 1 {} {0.463595173664 0.423767233477 0.396886230163} H14 29 1 1 {} {0.441705147583 0.45866456919 0.247816703354} H15 30 1 1 {} {0.333721702604 0.374820994594 0.428177938541} H16 31 1 1 {} {0.404575362013 0.389489040573 0.507731751533} H17 32 1 1 {} {0.304079535146 0.477782528842 0.542624329766} H18 33 1 1 {} {0.351419049327 0.492210324282 0.597789414264} H19 34 1 1 {} {0.484730144282 0.570807811736 0.304912163008} H20 35 1 1 {} {0.467107999411 0.578407751574 0.409973065234} H21 36 1 6 {} {0.655202998578 0.637292705769 0.502620828341} C4 37 1 14 {} {0.615683858794 0.573308416678 0.455430803556} Si6 38 1 14 {} {0.652639928213 0.723906796141 0.457900780285} Si7 39 1 8 {} {0.612678674208 0.581793915896 0.345786452313} O5 40 1 8 {} {0.635720056421 0.498760098022 0.479268077563} O6 41 1 6 {} {0.558734416215 0.579401395417 0.505249880715} C5 42 1 6 {} {0.605106993423 0.774456370055 0.502850851831} C6 43 1 8 {} {0.648391032641 0.712970318854 0.347359762048} O7 44 1 8 {} {0.700155157308 0.765654512615 0.473032872956} O8 45 1 14 {} {0.64605623415 0.42080837783 0.451644125189} Si8 46 1 7 {} {0.600802286783 0.368421917925 0.469265604141} N4 47 1 14 {} {0.581310908742 0.319325298522 0.380857584067} Si9 48 1 14 {} {0.575867868207 0.364881460818 0.575128410556} Si10 49 1 7 {} {0.611430824378 0.384033214043 0.662008157904} N5 50 1 7 {} {0.615670518859 0.256343525451 0.342631983204} N6 51 1 1 {} {0.651152296745 0.638680386573 0.575690163423} H22 52 1 1 {} {0.689354800674 0.618953857442 0.490012354233} H23 53 1 1 {} {0.62544301354 0.623740812951 0.323477387083} H24 54 1 1 {} {0.558490831597 0.56993297197 0.577495738851} H25 55 1 1 {} {0.537073621622 0.542026970579 0.473342769204} H26 56 1 1 {} {0.544060459015 0.629074620567 0.493486602122} H27 57 1 1 {} {0.604361691429 0.824806279429 0.473172891642} H28 58 1 1 {} {0.607127137131 0.780071787707 0.575813982839} H29 59 1 1 {} {0.573019007949 0.750352387748 0.487699304729} H30 60 1 1 {} {0.656535339112 0.75030858364 0.309322373695} H31 61 1 1 {} {0.700614380044 0.800318113768 0.518032811794} H32 62 1 1 {} {0.657447251489 0.415685064105 0.354545241276} H33 63 1 1 {} {0.685272283135 0.400444822175 0.506450404668} H34 64 1 1 {} {0.539332739792 0.287889428691 0.41380605936} H35 65 1 1 {} {0.572945140046 0.362414779721 0.30131895771} H36 66 1 1 {} {0.53854232638 0.413948455278 0.582766546901} H37 67 1 1 {} {0.559027050102 0.295175401984 0.587802250333} H38 68 1 1 {} {0.617452909046 0.432654092672 0.677729347656} H39 69 1 1 {} {0.638209362248 0.354921035143 0.67635692254} H40 70 1 1 {} {0.640354815902 0.267556136336 0.298765685932} H41 71 1 1 {} {0.625197221645 0.218470487859 0.383901862144} 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