#MD System 2.0 @Title neb0_image04 @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 {} {0.126375450827 0.128919813276 0.385945400973} 7 Si1 1 0.0 1 14 {} {0.372044600827 0.122818363276 0.307081140973} 7 Si2 2 0.0 1 14 {} {0.303362093033 0.0883732742235 0.608894067663} 0 Si3 3 0.0 1 14 {} {0.098754660827 0.396363283276 0.149605890973} 7 Si4 4 0.0 1 14 {} {0.091750500827 0.380817383276 0.462496790973} 7 Si5 5 0.0 1 14 {} {0.349793920827 0.369705283276 0.228559080973} 7 Si6 6 0.0 1 14 {} {0.343538585631 0.347048980118 0.536556062789} 0 Si7 7 0.0 1 8 {} {0.069797280827 0.0160766232764 0.103283030973} 7 O1 8 0.0 1 8 {} {0.079711850827 0.0295953432764 0.438419330973} 7 O2 9 0.0 1 8 {} {0.299683470827 0.241616583276 0.268345370973} 7 O3 10 0.0 1 8 {} {0.301509163872 0.186797389403 0.552289903223} 0 O4 11 0.0 1 8 {} {0.152627170827 0.269535863276 0.107532220973} 7 O5 12 0.0 1 8 {} {0.154396910827 0.277429473276 0.414920370973} 7 O6 13 0.0 1 8 {} {0.416383490827 0.490435993276 0.267822790973} 7 O7 14 0.0 1 8 {} {0.357396641692 0.437167791423 0.594619969092} 0 O8 15 0.0 1 8 {} {0.463395240827 0.309782703276 0.184022700973} 7 O9 16 0.0 1 8 {} {0.446654460827 0.375793313276 0.480591990973} 7 O10 17 0.0 1 8 {} {0.220928500827 0.436366633276 0.194337700973} 7 O11 18 0.0 1 8 {} {0.196498839534 0.406751076865 0.513551589772} 0 O12 19 0.0 1 8 {} {0.265553040827 0.0711170732764 0.356231120973} 7 O13 20 0.0 1 8 {} {0.151722131462 0.0709070353862 0.637525996703} 0 O14 21 0.0 1 8 {} {0.012226590827 0.145558033276 0.336063180973} 7 O15 22 0.0 1 8 {} {0.896825163031 0.229863243898 0.658296643757} 0 O16 23 0.0 1 14 {} {0.127180760827 0.630044273276 0.381903530973} 7 Si8 24 0.0 1 14 {} {0.377937440827 0.623114263276 0.306591650973} 7 Si9 25 0.0 1 14 {} {0.326211741363 0.592139411597 0.616855504732} 0 Si10 26 0.0 1 14 {} {0.111841320827 0.894877963276 0.146512900973} 7 Si11 27 0.0 1 14 {} {0.086612610827 0.874849493276 0.463493530973} 7 Si12 28 0.0 1 14 {} {0.357945350827 0.870609013276 0.228424420973} 7 Si13 29 0.0 1 14 {} {0.344005356031 0.839505382703 0.539033746505} 0 Si14 30 0.0 1 8 {} {0.049001660827 0.521195203276 0.109646240973} 7 O17 31 0.0 1 8 {} {0.069113070827 0.527951153276 0.431203830973} 7 O18 32 0.0 1 8 {} {0.306536350827 0.743015773276 0.268168910973} 7 O19 33 0.0 1 8 {} {0.377361227118 0.687943452995 0.562713489742} 0 O20 34 0.0 1 8 {} {0.164015340827 0.763477173276 0.106590760973} 7 O21 35 0.0 1 8 {} {0.142258330827 0.779149463276 0.412061900973} 7 O22 36 0.0 1 8 {} {0.419967880827 0.993107303276 0.268236470973} 7 O23 37 0.0 1 8 {} {0.375515765426 0.944363833669 0.591481566168} 0 O24 38 0.0 1 8 {} {0.474812960827 0.810262583276 0.185530300973} 7 O25 39 0.0 1 8 {} {0.438054170827 0.871101013276 0.483574700973} 7 O26 40 0.0 1 8 {} {0.231734160827 0.935842343276 0.192108360973} 7 O27 41 0.0 1 8 {} {0.185005863119 0.864492580098 0.519529299225} 0 O28 42 0.0 1 8 {} {0.275296870827 0.578229813276 0.358358600973} 7 O29 43 0.0 1 8 {} {0.026943220827 0.643167603276 0.326922520973} 7 O30 44 0.0 1 8 {} {0.923430773609 0.538267560799 0.678863716382} 0 O31 45 0.0 1 14 {} {0.623120740827 0.172055223276 0.386659330973} 7 Si15 46 0.0 1 14 {} {0.867791580827 0.0977681432764 0.308130770973} 7 Si16 47 0.0 1 14 {} {0.813799782168 0.121179813567 0.616624082583} 0 Si17 48 0.0 1 14 {} {0.594991240827 0.367865593276 0.148467950973} 7 Si18 49 0.0 1 14 {} {0.598344300827 0.423545013276 0.460915150973} 7 Si19 50 0.0 1 14 {} {0.845226950827 0.346413573276 0.229416780973} 7 Si20 51 0.0 1 14 {} {0.836781601669 0.352853968476 0.535912166426} 0 Si21 52 0.0 1 8 {} {0.556186430827 0.988675303276 0.104451720973} 7 O32 53 0.0 1 8 {} {0.573763750827 0.0811225232764 0.441438260973} 7 O33 54 0.0 1 8 {} {0.815651800827 0.195778473276 0.256427260973} 7 O34 55 0.0 1 8 {} {0.784033598437 0.200396016092 0.556051991548} 0 O35 56 0.0 1 8 {} {0.648713400827 0.237688233276 0.108214840973} 7 O36 57 0.0 1 8 {} {0.657030600827 0.325555303276 0.410149520973} 7 O37 58 0.0 1 8 {} {0.877298620827 0.445752453276 0.283496540973} 7 O38 59 0.0 1 8 {} {0.921128956123 0.427928719164 0.585938950693} 0 O39 60 0.0 1 8 {} {0.973337730827 0.330186083276 0.185833320973} 7 O40 61 0.0 1 8 {} {0.944677150827 0.327359513276 0.487063690973} 7 O41 62 0.0 1 8 {} {0.714486690827 0.406175753276 0.194487420973} 7 O42 63 0.0 1 8 {} {0.704234026178 0.435698380405 0.514514580109} 0 O43 64 0.0 1 8 {} {0.757023620827 0.0983679332764 0.359767150973} 7 O44 65 0.0 1 8 {} {0.667971572887 0.0979890965926 0.650918013323} 0 O45 66 0.0 1 8 {} {0.506479600827 0.186823213276 0.337860890973} 7 O46 67 0.0 1 8 {} {0.393971873745 0.150699731997 0.662298561818} 0 O47 68 0.0 1 14 {} {0.630499440827 0.677681053276 0.385075330973} 7 Si22 69 0.0 1 14 {} {0.874189030827 0.603484923276 0.305004830973} 7 Si23 70 0.0 1 14 {} {0.817897871216 0.656794182415 0.650943094932} 0 Si24 71 0.0 1 14 {} {0.602297830827 0.868391203276 0.147530340973} 7 Si25 72 0.0 1 14 {} {0.588364490827 0.923737223276 0.463155620973} 7 Si26 73 0.0 1 14 {} {0.855324540827 0.849165193276 0.226365170973} 7 Si27 74 0.0 1 14 {} {0.839608744708 0.855510444168 0.544656541656} 0 Si28 75 0.0 1 8 {} {0.552418840827 0.489868353276 0.105659010973} 7 O48 76 0.0 1 8 {} {0.586087660827 0.579892963276 0.438008160973} 7 O49 77 0.0 1 8 {} {0.824376510827 0.696557113276 0.251368310973} 7 O50 78 0.0 1 8 {} {0.834808667739 0.717890950003 0.585576777191} 0 O51 79 0.0 1 8 {} {0.652829290827 0.736735913276 0.107450990973} 7 O52 80 0.0 1 8 {} {0.646662320827 0.831590893276 0.410870700973} 7 O53 81 0.0 1 8 {} {0.887787000827 0.945480193276 0.281512970973} 7 O54 82 0.0 1 8 {} {0.886416279096 0.977886793325 0.593595712045} 0 O55 83 0.0 1 8 {} {0.983325480827 0.835488213276 0.182805940973} 7 O56 84 0.0 1 8 {} {0.934873140827 0.829467643276 0.485947470973} 7 O57 85 0.0 1 8 {} {0.724993590827 0.910405043276 0.191573100973} 7 O58 86 0.0 1 8 {} {0.691607403454 0.906630722673 0.519212078665} 0 O59 87 0.0 1 8 {} {0.774439330827 0.622893033276 0.359716800973} 7 O60 88 0.0 1 8 {} {0.670986702601 0.577846316429 0.652071358055} 0 O61 89 0.0 1 8 {} {0.518404930827 0.682313643276 0.334156250973} 7 O62 90 0.0 1 8 {} {0.411895051101 0.599974008832 0.678819570772} 0 O63 91 0.0 1 1 {} {0.101375550827 0.112933273276 0.107391510973} 7 H1 92 0.0 1 1 {} {0.197948590827 0.298688753276 0.0726709209729} 7 H2 93 0.0 1 1 {} {0.094163750827 0.612972433276 0.109686470973} 7 H3 94 0.0 1 1 {} {0.208262540827 0.788998903276 0.0709895709729} 7 H4 95 0.0 1 1 {} {0.590580280827 0.0848040532764 0.108168820973} 7 H5 96 0.0 1 1 {} {0.687323740827 0.264937063276 0.0717117909729} 7 H6 97 0.0 1 1 {} {0.590850590827 0.584506353276 0.108440830973} 7 H7 98 0.0 1 1 {} {0.692812450827 0.762671123276 0.0710351009729} 7 H8 99 0.0 1 14 {} {0.96530510302 0.386726648041 0.650790779545} 0 Si29 100 0.0 1 14 {} {0.543420267702 0.214767621737 0.649542399997} 0 Si30 101 0.0 1 8 {} {0.568162971623 0.338118459023 0.693654850414} 0 O64 102 0.0 1 14 {} {0.576122640688 0.506388221473 0.699737373227} 0 Si31 103 0.0 1 8 {} {0.541469068605 0.268116726536 0.582992075823} 0 O65 104 0.0 1 1 {} {0.614695769901 0.227177621912 0.55972188068} 0 H9 105 0.0 1 1 {} {0.0818778279028 0.0139919698808 0.619197632982} 0 H10 106 0.0 1 8 {} {0.828625460492 0.778614541131 0.698578058565} 0 O66 107 0.0 1 1 {} {0.767610049856 0.856932296721 0.694648916664} 0 H11 108 0.0 1 8 {} {0.120822793109 0.366267594144 0.673456840574} 0 O67 109 0.0 1 1 {} {0.148723715607 0.269798825242 0.675069140552} 0 H12 110 0.0 1 8 {} {0.166826453749 0.645503629411 0.626681835457} 0 O68 111 0.0 1 1 {} {0.120956827884 0.612330563854 0.661115592514} 0 H13 112 0.0 1 8 {} {0.667801288794 0.499806474683 0.763346142655} 0 O69 113 0.0 1 1 {} {0.767430988248 0.525586088562 0.771155526183} 0 H14 114 0.0 1 8 {} {0.404035502785 0.661725856942 0.782089928724} 0 O70 115 0.0 1 1 {} {0.50280658759 0.604166618834 0.807822978244} 0 H15 116 0.0 1 1 {} {0.360023971161 0.689178937418 0.73977156314} 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