#MD System 2.0 @Title neb0_image09 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849592348882 0.308100295489 0.0622656718001} Si1 1 0.0 1 14 {} {0.850305801216 0.385400132591 0.444206037154} Si2 2 0.0 1 14 {} {0.0995273998628 0.307758207916 0.192301806115} Si3 3 0.0 1 14 {} {0.099805264305 0.383668762596 0.3175974905} Si4 4 0.0 1 14 {} {0.860695900222 0.543194327783 0.439789307627} Si5 5 0.0 1 14 {} {0.102980309609 0.537732403352 0.304436175175} Si6 6 0.0 1 14 {} {0.846727385204 0.459291158289 0.0667913844428} Si7 7 0.0 1 14 {} {0.845991671948 0.230162827537 0.442257685542} Si8 8 0.0 1 14 {} {0.0992732127482 0.458697390672 0.191846881337} Si9 9 0.0 1 14 {} {0.0957070417597 0.229360195374 0.313593384019} Si10 10 0.0 1 8 {} {0.318893599578 0.58928433523 0.53089680939} O1 11 0.0 1 14 {} {0.345100175414 0.655751569626 0.520219906429} Si11 12 0.0 1 8 {} {0.113211924282 0.5896736639 0.208217071205} O2 13 0.0 1 1 {} {0.013182678517 0.594473388241 0.148523336663} H1 14 0.0 1 8 {} {0.334861958052 0.178112967277 0.54019216291} O3 15 0.0 1 1 {} {0.933730078146 0.175402036986 0.600899460711} H2 16 0.0 1 8 {} {0.0845875634467 0.177595000612 0.215943753508} O4 17 0.0 1 1 {} {0.183553997731 0.174047727485 0.155811648922} H3 18 0.0 1 14 {} {0.850367137011 0.308399945493 0.565141381139} Si12 19 0.0 1 14 {} {0.849422756579 0.384883230085 0.938924051226} Si13 20 0.0 1 14 {} {0.0999056638868 0.309811772308 0.694924297121} Si14 21 0.0 1 14 {} {0.100845110301 0.388534365293 0.813239892449} Si15 22 0.0 1 14 {} {0.852951491854 0.537759903579 0.950794825566} Si16 23 0.0 1 14 {} {0.104506275333 0.542869063877 0.820552979774} Si17 24 0.0 1 14 {} {0.851600507603 0.464515789175 0.560005596183} Si18 25 0.0 1 14 {} {0.845977241102 0.229399645697 0.942473118402} Si19 26 0.0 1 14 {} {0.101505263574 0.466722227108 0.690214394583} Si20 27 0.0 1 14 {} {0.0961689165769 0.230652805621 0.814924161697} Si21 28 0.0 1 8 {} {0.363696949855 0.589698292587 0.0467547587443} O5 29 0.0 1 1 {} {0.263451250149 0.594246999619 0.107152164113} H4 30 0.0 1 8 {} {0.109413008387 0.603551862441 0.781324872001} O6 31 0.0 1 1 {} {0.108587539434 0.627465785899 0.705921477271} H5 32 0.0 1 8 {} {0.334931354071 0.177946300244 0.0410423452399} O7 33 0.0 1 1 {} {0.933876249908 0.174262477018 0.100989452549} H6 34 0.0 1 8 {} {0.0851237488609 0.180146868313 0.713809610332} O8 35 0.0 1 1 {} {0.184606963453 0.176261281976 0.654035937022} H7 36 0.0 1 14 {} {0.349717684369 0.308141817219 0.0624373113609} Si22 37 0.0 1 14 {} {0.350429003172 0.384643571689 0.443359738986} Si23 38 0.0 1 14 {} {0.599749931664 0.308380117624 0.192344201493} Si24 39 0.0 1 14 {} {0.600825946111 0.384411788325 0.317830524715} Si25 40 0.0 1 14 {} {0.348847173496 0.539857337812 0.43581970085} Si26 41 0.0 1 14 {} {0.606375757916 0.543455353636 0.314308718435} Si27 42 0.0 1 14 {} {0.354705338459 0.459016542446 0.0692634056502} Si28 43 0.0 1 14 {} {0.345500491104 0.229749882977 0.442145473501} Si29 44 0.0 1 14 {} {0.602328672508 0.462104065561 0.201034414158} Si30 45 0.0 1 14 {} {0.595800095169 0.229939483174 0.313889054229} Si31 46 0.0 1 8 {} {0.874761233976 0.591040833514 0.54111300414} O9 47 0.0 1 1 {} {0.954477000267 0.621606416959 0.537000988081} H8 48 0.0 1 8 {} {0.618197303032 0.591337704956 0.207836103384} O10 49 0.0 1 1 {} {0.515490708513 0.595895155287 0.150275493642} H9 50 0.0 1 8 {} {0.834586473376 0.178676976274 0.540697886702} O11 51 0.0 1 1 {} {0.433799363595 0.174774771791 0.600503557916} H10 52 0.0 1 8 {} {0.585066320855 0.178280495221 0.215909224118} O12 53 0.0 1 1 {} {0.684055450891 0.174627676427 0.155815077179} H11 54 0.0 1 14 {} {0.349072562821 0.307883688484 0.564873258666} Si32 55 0.0 1 14 {} {0.351722073527 0.385037956478 0.939589647726} Si33 56 0.0 1 14 {} {0.599567735328 0.308852271137 0.693507873512} Si34 57 0.0 1 14 {} {0.600474035803 0.387025065281 0.811843676758} Si35 58 0.0 1 14 {} {0.354576792584 0.537235318081 0.953710797109} Si36 59 0.0 1 14 {} {0.601116245255 0.541756720452 0.818369572671} Si37 60 0.0 1 14 {} {0.351563242265 0.463073839952 0.560382889301} Si38 61 0.0 1 14 {} {0.346202105328 0.229436369297 0.942664238775} Si39 62 0.0 1 14 {} {0.601600123009 0.465130843306 0.69033296634} Si40 63 0.0 1 14 {} {0.595997269748 0.230148993855 0.814609426987} Si41 64 0.0 1 8 {} {0.861986894671 0.59034271912 0.0435842287782} O13 65 0.0 1 1 {} {0.763321451006 0.594369820894 0.105746485351} H12 66 0.0 1 8 {} {0.595584377182 0.597252260784 0.742734884665} O14 67 0.0 1 14 {} {0.592888651465 0.662740362313 0.741554122941} Si42 68 0.0 1 8 {} {0.834909068953 0.177914031158 0.0408612825585} O15 69 0.0 1 1 {} {0.433940034456 0.174426896188 0.101164836867} H13 70 0.0 1 8 {} {0.584785149768 0.179370001475 0.714260508982} O16 71 0.0 1 1 {} {0.684091231063 0.175831747002 0.654225399631} H14 72 0.0 1 7 {} {0.453975213342 0.687980652179 0.637137935306} N 73 0.0 1 1 {} {0.441562618376 0.752762482333 0.646740168386} H16 74 0.0 1 9 {} {0.789617456671 0.680907596419 0.721897300587} F4 75 0.0 1 9 {} {0.272147729947 0.682771866694 0.394947041255} F5 76 0.0 1 9 {} {0.539678857524 0.680209211919 0.877912807481} F3 77 0.0 1 9 {} {0.140913837033 0.662814185005 0.587376206343} F1 78 0.0 1 9 {} {0.436873723625 0.789938642462 0.662009968558} F2 79 0.0 1 9 {} {0.548494514368 0.658445769819 0.4526146434} F6 80 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {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