#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 {} {0.849550357434 0.30804904912 0.0624132069332} Si1 1 0.0 1 14 {} {0.850225797613 0.385367840141 0.444320084229} Si2 2 0.0 1 14 {} {0.0995057368233 0.307702525868 0.192400164915} Si3 3 0.0 1 14 {} {0.0996547938285 0.383671910985 0.317567819513} Si4 4 0.0 1 14 {} {0.860619693428 0.543201546425 0.439645174141} Si5 5 0.0 1 14 {} {0.102872146588 0.537744185967 0.304646854107} Si6 6 0.0 1 14 {} {0.846925416447 0.45923557752 0.066712066458} Si7 7 0.0 1 14 {} {0.845947329399 0.230083024944 0.442253807458} Si8 8 0.0 1 14 {} {0.0992971016852 0.458721622496 0.192086098149} Si9 9 0.0 1 14 {} {0.0956553965853 0.229280601044 0.313589041401} Si10 10 0.0 1 8 {} {0.331855008848 0.591982638202 0.524659237015} O1 11 0.0 1 14 {} {0.350134499242 0.659234685576 0.517202706149} Si11 12 0.0 1 8 {} {0.113205669544 0.589476736935 0.208478722112} O2 13 0.0 1 1 {} {0.0132326738173 0.594401488505 0.148986954799} H1 14 0.0 1 8 {} {0.334827213182 0.178080019623 0.540251314861} O3 15 0.0 1 1 {} {0.933723938697 0.175366790963 0.600951449225} H2 16 0.0 1 8 {} {0.084540880294 0.177525957052 0.215919579797} O4 17 0.0 1 1 {} {0.183557222453 0.173987338102 0.155808504523} H3 18 0.0 1 14 {} {0.850230392245 0.308326146783 0.565090082758} Si12 19 0.0 1 14 {} {0.849286997394 0.384816102739 0.939024327921} Si13 20 0.0 1 14 {} {0.0998341237056 0.309714017189 0.694761594455} Si14 21 0.0 1 14 {} {0.10067415425 0.388334282889 0.813188989869} Si15 22 0.0 1 14 {} {0.852263940731 0.537594029006 0.950882190525} Si16 23 0.0 1 14 {} {0.104112987964 0.543204973861 0.820792839794} Si17 24 0.0 1 14 {} {0.85125578703 0.464517861204 0.559929546939} Si18 25 0.0 1 14 {} {0.84596928827 0.229345755875 0.942536788994} Si19 26 0.0 1 14 {} {0.101329081523 0.466416586832 0.689939811959} Si20 27 0.0 1 14 {} {0.0961302522572 0.230567927519 0.814904847468} Si21 28 0.0 1 8 {} {0.363515973216 0.589557362998 0.0466634287368} O5 29 0.0 1 1 {} {0.263466640237 0.594185788985 0.107005313237} H4 30 0.0 1 8 {} {0.10926455193 0.603969615775 0.781624510938} O6 31 0.0 1 1 {} {0.107282989245 0.626556336119 0.705191895399} H5 32 0.0 1 8 {} {0.334852439256 0.177858792442 0.0410538122866} O7 33 0.0 1 1 {} {0.93386465715 0.17418809697 0.100993626373} H6 34 0.0 1 8 {} {0.0850033717424 0.180055434047 0.713807625473} O8 35 0.0 1 1 {} {0.184573723376 0.17616864418 0.654092513986} H7 36 0.0 1 14 {} {0.349639380055 0.308068067812 0.0625508240887} Si22 37 0.0 1 14 {} {0.350258961353 0.384703561359 0.443306818058} Si23 38 0.0 1 14 {} {0.5996631948 0.308312159744 0.192380477062} Si24 39 0.0 1 14 {} {0.600791128553 0.384305581318 0.317964758163} Si25 40 0.0 1 14 {} {0.349854084 0.540762304384 0.435637138957} Si26 41 0.0 1 14 {} {0.607083192878 0.542481202159 0.312837044482} Si27 42 0.0 1 14 {} {0.354403505396 0.459023360898 0.069179829946} Si28 43 0.0 1 14 {} {0.345482038263 0.229693629731 0.442150055692} Si29 44 0.0 1 14 {} {0.602340687718 0.461640275042 0.20035871926} Si30 45 0.0 1 14 {} {0.595799390894 0.229842582043 0.313870161661} Si31 46 0.0 1 8 {} {0.873607996273 0.590997949412 0.540276622509} O9 47 0.0 1 1 {} {0.952915686809 0.621640506149 0.534655381941} H8 48 0.0 1 8 {} {0.616860730226 0.591453166538 0.209469191998} O10 49 0.0 1 1 {} {0.515415376064 0.595693590147 0.150778172424} H9 50 0.0 1 8 {} {0.834576699957 0.178616089948 0.540719518955} O11 51 0.0 1 1 {} {0.43381922209 0.174751835844 0.600537650741} H10 52 0.0 1 8 {} {0.585034447153 0.178181724422 0.215898744572} O12 53 0.0 1 1 {} {0.684013604964 0.174540852028 0.155774618379} H11 54 0.0 1 14 {} {0.349074089324 0.307878462345 0.564839641266} Si32 55 0.0 1 14 {} {0.351489629624 0.384963796263 0.939717338179} Si33 56 0.0 1 14 {} {0.599517414276 0.308787862701 0.693510873839} Si34 57 0.0 1 14 {} {0.600312837429 0.386973609886 0.811973831859} Si35 58 0.0 1 14 {} {0.354455417843 0.537180029319 0.953584783643} Si36 59 0.0 1 14 {} {0.601259542942 0.541472017037 0.819007882505} Si37 60 0.0 1 14 {} {0.351806062677 0.463297833753 0.560518174574} Si38 61 0.0 1 14 {} {0.346210990758 0.229351490169 0.942685227065} Si39 62 0.0 1 14 {} {0.601643298941 0.465080795504 0.690666973224} Si40 63 0.0 1 14 {} {0.595988781455 0.230065750952 0.81458947466} Si41 64 0.0 1 8 {} {0.861728997019 0.590211649662 0.0435390520715} O13 65 0.0 1 1 {} {0.763402383279 0.594389414631 0.105563468225} H12 66 0.0 1 8 {} {0.595846364018 0.596807238496 0.742914398073} O14 67 0.0 1 14 {} {0.593424634196 0.662512347258 0.743341276635} Si42 68 0.0 1 8 {} {0.834864454591 0.177849019926 0.0408838375603} O15 69 0.0 1 1 {} {0.433872005521 0.174356769336 0.101185006425} H13 70 0.0 1 8 {} {0.58472643955 0.179284102263 0.714256234646} O16 71 0.0 1 1 {} {0.68408150388 0.17574347155 0.654251752213} H14 72 0.0 1 7 {} {0.446291521271 0.688497793194 0.644239237009} N 73 0.0 1 1 {} {0.441932131622 0.752062273231 0.647285446307} H16 74 0.0 1 9 {} {0.790736650048 0.680676686846 0.721035361755} F4 75 0.0 1 9 {} {0.262970976491 0.682105346646 0.392046656558} F5 76 0.0 1 9 {} {0.540826656087 0.680209427866 0.879995649622} F3 77 0.0 1 9 {} {0.137782198437 0.663149367316 0.587666011407} F1 78 0.0 1 9 {} {0.436037808475 0.790478107769 0.661916687116} F2 79 0.0 1 9 {} {0.555958323023 0.657849905581 0.455314800308} 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