#MD System 2.0 @Title neb0_image01 @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 {} {0.129125880207 0.127357418319 0.385736240243} 7 Si1 1 0.0 1 14 {} {0.374795030207 0.121255968319 0.306871980243} 7 Si2 2 0.0 1 14 {} {0.301739421787 0.0877451848348 0.608221939083} 0 Si3 3 0.0 1 14 {} {0.101505090207 0.394800888319 0.149396730243} 7 Si4 4 0.0 1 14 {} {0.0945009302067 0.379254988319 0.462287630243} 7 Si5 5 0.0 1 14 {} {0.352544350207 0.368142888319 0.228349920243} 7 Si6 6 0.0 1 14 {} {0.346018176393 0.34402155238 0.535929889508} 0 Si7 7 0.0 1 8 {} {0.0725477102067 0.0145142283191 0.103073870243} 7 O1 8 0.0 1 8 {} {0.0824622802067 0.0280329483191 0.438210170243} 7 O2 9 0.0 1 8 {} {0.302433900207 0.240054188319 0.268136210243} 7 O3 10 0.0 1 8 {} {0.296757566936 0.185538454013 0.551447607186} 0 O4 11 0.0 1 8 {} {0.155377600207 0.267973468319 0.107323060243} 7 O5 12 0.0 1 8 {} {0.157147340207 0.275867078319 0.414711210243} 7 O6 13 0.0 1 8 {} {0.419133920207 0.488873598319 0.267613630243} 7 O7 14 0.0 1 8 {} {0.360701597807 0.435150982804 0.594374551833} 0 O8 15 0.0 1 8 {} {0.466145670207 0.308220308319 0.183813540243} 7 O9 16 0.0 1 8 {} {0.449404890207 0.374230918319 0.480382830243} 7 O10 17 0.0 1 8 {} {0.223678930207 0.434804238319 0.194128540243} 7 O11 18 0.0 1 8 {} {0.20023566707 0.407423285559 0.512928823565} 0 O12 19 0.0 1 8 {} {0.268303470207 0.0695546783191 0.356021960243} 7 O13 20 0.0 1 8 {} {0.151336484796 0.0684571632256 0.637458909778} 0 O14 21 0.0 1 8 {} {0.0149770202067 0.143995638319 0.335854020243} 7 O15 22 0.0 1 8 {} {0.896818574897 0.22957050864 0.658740317081} 0 O16 23 0.0 1 14 {} {0.129931190207 0.628481878319 0.381694370243} 7 Si8 24 0.0 1 14 {} {0.380687870207 0.621551868319 0.306382490243} 7 Si9 25 0.0 1 14 {} {0.331794015962 0.588724300583 0.618295037063} 0 Si10 26 0.0 1 14 {} {0.114591750207 0.893315568319 0.146303740243} 7 Si11 27 0.0 1 14 {} {0.0893630402067 0.873287098319 0.463284370243} 7 Si12 28 0.0 1 14 {} {0.360695780207 0.869046618319 0.228215260243} 7 Si13 29 0.0 1 14 {} {0.347949543144 0.837592707425 0.539355944923} 0 Si14 30 0.0 1 8 {} {0.0517520902067 0.519632808319 0.109437080243} 7 O17 31 0.0 1 8 {} {0.0718635002067 0.526388758319 0.430994670243} 7 O18 32 0.0 1 8 {} {0.309286780207 0.741453378319 0.267959750243} 7 O19 33 0.0 1 8 {} {0.384088074438 0.688794799233 0.566412302554} 0 O20 34 0.0 1 8 {} {0.166765770207 0.761914778319 0.106381600243} 7 O21 35 0.0 1 8 {} {0.145008760207 0.777587068319 0.411852740243} 7 O22 36 0.0 1 8 {} {0.422718310207 0.991544908319 0.268027310243} 7 O23 37 0.0 1 8 {} {0.377491186529 0.945494260473 0.59087491153} 0 O24 38 0.0 1 8 {} {0.477563390207 0.808700188319 0.185321140243} 7 O25 39 0.0 1 8 {} {0.440804600207 0.869538618319 0.483365540243} 7 O26 40 0.0 1 8 {} {0.234484590207 0.934279948319 0.191899200243} 7 O27 41 0.0 1 8 {} {0.188715664885 0.858597902671 0.519216455971} 0 O28 42 0.0 1 8 {} {0.278047300207 0.576667418319 0.358149440243} 7 O29 43 0.0 1 8 {} {0.0296936502067 0.641605208319 0.326713360243} 7 O30 44 0.0 1 8 {} {0.917494979151 0.533654451491 0.67993366585} 0 O31 45 0.0 1 14 {} {0.625871170207 0.170492828319 0.386450170243} 7 Si15 46 0.0 1 14 {} {0.870542010207 0.0962057483191 0.307921610243} 7 Si16 47 0.0 1 14 {} {0.815152392483 0.121320188616 0.616636263478} 0 Si17 48 0.0 1 14 {} {0.597741670207 0.366303198319 0.148258790243} 7 Si18 49 0.0 1 14 {} {0.601094730207 0.421982618319 0.460705990243} 7 Si19 50 0.0 1 14 {} {0.847977380207 0.344851178319 0.229207620243} 7 Si20 51 0.0 1 14 {} {0.840451966998 0.353235857525 0.535895321958} 0 Si21 52 0.0 1 8 {} {0.558936860207 0.987112908319 0.104242560243} 7 O32 53 0.0 1 8 {} {0.576514180207 0.0795601283191 0.441229100243} 7 O33 54 0.0 1 8 {} {0.818402230207 0.194216078319 0.256218100243} 7 O34 55 0.0 1 8 {} {0.786378899559 0.201465753234 0.556256680849} 0 O35 56 0.0 1 8 {} {0.651463830207 0.236125838319 0.108005680243} 7 O36 57 0.0 1 8 {} {0.659781030207 0.323992908319 0.409940360243} 7 O37 58 0.0 1 8 {} {0.880049050207 0.444190058319 0.283287380243} 7 O38 59 0.0 1 8 {} {0.927135271526 0.427148744823 0.585652260635} 0 O39 60 0.0 1 8 {} {0.976088160207 0.328623688319 0.185624160243} 7 O40 61 0.0 1 8 {} {0.947427580207 0.325797118319 0.486854530243} 7 O41 62 0.0 1 8 {} {0.717237120207 0.404613358319 0.194278260243} 7 O42 63 0.0 1 8 {} {0.707487437674 0.435246720984 0.514263846602} 0 O43 64 0.0 1 8 {} {0.759774050207 0.0968055383191 0.359557990243} 7 O44 65 0.0 1 8 {} {0.667840401692 0.0975806217761 0.649841482307} 0 O45 66 0.0 1 8 {} {0.509230030207 0.185260818319 0.337651730243} 7 O46 67 0.0 1 8 {} {0.393303926137 0.152726872874 0.661004994259} 0 O47 68 0.0 1 14 {} {0.633249870207 0.676118658319 0.384866170243} 7 Si22 69 0.0 1 14 {} {0.876939460207 0.601922528319 0.304795670243} 7 Si23 70 0.0 1 14 {} {0.818546541117 0.654264807705 0.649326255908} 0 Si24 71 0.0 1 14 {} {0.605048260207 0.866828808319 0.147321180243} 7 Si25 72 0.0 1 14 {} {0.591114920207 0.922174828319 0.462946460243} 7 Si26 73 0.0 1 14 {} {0.858074970207 0.847602798319 0.226156010243} 7 Si27 74 0.0 1 14 {} {0.843507216372 0.855517841248 0.544355738622} 0 Si28 75 0.0 1 8 {} {0.555169270207 0.488305958319 0.105449850243} 7 O48 76 0.0 1 8 {} {0.588838090207 0.578330568319 0.437799000243} 7 O49 77 0.0 1 8 {} {0.827126940207 0.694994718319 0.251159150243} 7 O50 78 0.0 1 8 {} {0.845745728744 0.717671097095 0.58470967644} 0 O51 79 0.0 1 8 {} {0.655579720207 0.735173518319 0.107241830243} 7 O52 80 0.0 1 8 {} {0.649412750207 0.830028498319 0.410661540243} 7 O53 81 0.0 1 8 {} {0.890537430207 0.943917798319 0.281303810243} 7 O54 82 0.0 1 8 {} {0.888268224714 0.978449654616 0.59343117763} 0 O55 83 0.0 1 8 {} {0.986075910207 0.833925818319 0.182596780243} 7 O56 84 0.0 1 8 {} {0.937623570207 0.827905248319 0.485738310243} 7 O57 85 0.0 1 8 {} {0.727744020207 0.908842648319 0.191363940243} 7 O58 86 0.0 1 8 {} {0.694690017234 0.905248955562 0.51901637328} 0 O59 87 0.0 1 8 {} {0.777189760207 0.621330638319 0.359507640243} 7 O60 88 0.0 1 8 {} {0.669653707477 0.578549201069 0.64427731997} 0 O61 89 0.0 1 8 {} {0.521155360207 0.680751248319 0.333947090243} 7 O62 90 0.0 1 8 {} {0.418563199828 0.58653693904 0.679053041162} 0 O63 91 0.0 1 1 {} {0.104125980207 0.111370878319 0.107182350243} 7 H1 92 0.0 1 1 {} {0.200699020207 0.297126358319 0.0724617602432} 7 H2 93 0.0 1 1 {} {0.0969141802067 0.611410038319 0.109477310243} 7 H3 94 0.0 1 1 {} {0.211012970207 0.787436508319 0.0707804102432} 7 H4 95 0.0 1 1 {} {0.593330710207 0.0832416583191 0.107959660243} 7 H5 96 0.0 1 1 {} {0.690074170207 0.263374668319 0.0715026302432} 7 H6 97 0.0 1 1 {} {0.593601020207 0.582943958319 0.108231670243} 7 H7 98 0.0 1 1 {} {0.695562880207 0.761108728319 0.0708259402432} 7 H8 99 0.0 1 14 {} {0.965776117316 0.385737988147 0.651262877499} 0 Si29 100 0.0 1 14 {} {0.543800648501 0.215269963421 0.647035558404} 0 Si30 101 0.0 1 8 {} {0.573292607399 0.346085632672 0.68796752801} 0 O64 102 0.0 1 14 {} {0.566540412059 0.51435723172 0.692300129067} 0 Si31 103 0.0 1 8 {} {0.538291719789 0.258627828444 0.578750223748} 0 O65 104 0.0 1 1 {} {0.616128329948 0.223065957434 0.556438798128} 0 H9 105 0.0 1 1 {} {0.0807963693322 0.0113784088467 0.619646063995} 0 H10 106 0.0 1 8 {} {0.826374681117 0.774586764223 0.697917647289} 0 O66 107 0.0 1 1 {} {0.766985837232 0.854147223099 0.694350156648} 0 H11 108 0.0 1 8 {} {0.121910968994 0.366631639764 0.674066870757} 0 O67 109 0.0 1 1 {} {0.151142913426 0.270735695705 0.676522272745} 0 H12 110 0.0 1 8 {} {0.177803194361 0.644091447214 0.632978471773} 0 O68 111 0.0 1 1 {} {0.134809751408 0.608923930779 0.667534449564} 0 H13 112 0.0 1 8 {} {0.60807434886 0.55540202777 0.757919285445} 0 O69 113 0.0 1 1 {} {0.702586006259 0.540986559736 0.769768918294} 0 H14 114 0.0 1 8 {} {0.364777258902 0.693134479383 0.799698715297} 0 O70 115 0.0 1 1 {} {0.452927073191 0.646062148523 0.801480580472} 0 H15 116 0.0 1 1 {} {0.346246957691 0.69380202739 0.759110393976} 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 0 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 0 116 114 0 0 83 73 0 0 72 39 0 0 99 22 0 0 63 49 0 0 36 1 0 0 102 90 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} 0 133 114 116 {0 0 0} 0 134 73 83 {0 0 0} 0 135 72 39 {0 0 0} 0 136 22 99 {0 0 0} 0 137 49 63 {0 0 0} 0 138 1 36 {0 -1 0} 0 139 90 102 {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