#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 {} {0.849554463913 0.30800207985 0.0625028445663} Si1 1 0.0 1 14 {} {0.850201239979 0.385327196982 0.444315528652} Si2 2 0.0 1 14 {} {0.0995093395397 0.307672153649 0.192489871978} Si3 3 0.0 1 14 {} {0.0996064075689 0.383628013396 0.317703249091} Si4 4 0.0 1 14 {} {0.859975951086 0.542869796541 0.439739422709} Si5 5 0.0 1 14 {} {0.10367578279 0.537826916094 0.30501051606} Si6 6 0.0 1 14 {} {0.847505795933 0.459075649023 0.0665787791867} Si7 7 0.0 1 14 {} {0.845909081503 0.230029131407 0.442229294842} Si8 8 0.0 1 14 {} {0.0994065324765 0.458697219301 0.19237021434} Si9 9 0.0 1 14 {} {0.0956592907817 0.229234425734 0.313629844985} Si10 10 0.0 1 8 {} {0.335827444156 0.592504692585 0.523055847879} O1 11 0.0 1 14 {} {0.350047833548 0.6593381449 0.518045457073} Si11 12 0.0 1 8 {} {0.113119270244 0.58948349326 0.208414349857} O2 13 0.0 1 1 {} {0.0129318884287 0.594380080578 0.148997847623} H1 14 0.0 1 8 {} {0.334859305567 0.17811482913 0.540302376317} O3 15 0.0 1 1 {} {0.933746617344 0.175334876979 0.600980848458} H2 16 0.0 1 8 {} {0.0845641179599 0.177493594425 0.215913294589} O4 17 0.0 1 1 {} {0.183570390715 0.173936101501 0.155797820493} H3 18 0.0 1 14 {} {0.85015440547 0.308262602626 0.565130688847} Si12 19 0.0 1 14 {} {0.84943637611 0.384701273817 0.938949898306} Si13 20 0.0 1 14 {} {0.0998367104262 0.309625214139 0.694711729446} Si14 21 0.0 1 14 {} {0.100585852561 0.388271156353 0.813168070758} Si15 22 0.0 1 14 {} {0.852492291122 0.537559541988 0.951018513132} Si16 23 0.0 1 14 {} {0.103691371398 0.543041746642 0.820763167808} Si17 24 0.0 1 14 {} {0.851220112094 0.464421355614 0.560079370271} Si18 25 0.0 1 14 {} {0.845956188426 0.229318682214 0.94255466235} Si19 26 0.0 1 14 {} {0.101280791022 0.466638971518 0.690294322374} Si20 27 0.0 1 14 {} {0.0961510551616 0.230521446719 0.814917168869} Si21 28 0.0 1 8 {} {0.363881450461 0.589473651398 0.0467441404474} O5 29 0.0 1 1 {} {0.263551370896 0.59415322733 0.10686415372} H4 30 0.0 1 8 {} {0.109322266356 0.604470957734 0.781091657688} O6 31 0.0 1 1 {} {0.108763664054 0.626215124295 0.703898737292} H5 32 0.0 1 8 {} {0.33485647956 0.177817742361 0.0410585537759} O7 33 0.0 1 1 {} {0.933875058297 0.174130474073 0.100990679452} H6 34 0.0 1 8 {} {0.0849731295085 0.180001396971 0.713826103667} O8 35 0.0 1 1 {} {0.184548454375 0.17610130074 0.65412464675} H7 36 0.0 1 14 {} {0.349608279251 0.30801531125 0.0626129028111} Si22 37 0.0 1 14 {} {0.350144105933 0.384997163424 0.443450295252} Si23 38 0.0 1 14 {} {0.599639722012 0.308222652698 0.192449835027} Si24 39 0.0 1 14 {} {0.600715041711 0.384120665909 0.318151262387} Si25 40 0.0 1 14 {} {0.351868864767 0.541225348591 0.435464958033} Si26 41 0.0 1 14 {} {0.607064092544 0.541965142499 0.311912081136} Si27 42 0.0 1 14 {} {0.35399493352 0.458940071444 0.068994589297} Si28 43 0.0 1 14 {} {0.34550763782 0.229686999888 0.442082232398} Si29 44 0.0 1 14 {} {0.602523448738 0.46115388158 0.199417083718} Si30 45 0.0 1 14 {} {0.595790427723 0.229778367845 0.313869418781} Si31 46 0.0 1 8 {} {0.87434547267 0.591037036306 0.539928619335} O9 47 0.0 1 1 {} {0.951846962174 0.621992089298 0.5331666643} H8 48 0.0 1 8 {} {0.616707121009 0.591475073605 0.209930173694} O10 49 0.0 1 1 {} {0.515094662464 0.595608672619 0.151302427974} H9 50 0.0 1 8 {} {0.834602786053 0.178572436671 0.540738181483} O11 51 0.0 1 1 {} {0.433870021913 0.174729463816 0.600559516015} H10 52 0.0 1 8 {} {0.58503296668 0.178129108379 0.215882760828} O12 53 0.0 1 1 {} {0.684004879682 0.174481509363 0.155755989708} H11 54 0.0 1 14 {} {0.349099149309 0.307948900339 0.564786213952} Si32 55 0.0 1 14 {} {0.351213270872 0.384901150925 0.939738980998} Si33 56 0.0 1 14 {} {0.599465732379 0.308759544518 0.693557787791} Si34 57 0.0 1 14 {} {0.600197679581 0.386881476909 0.812170320893} Si35 58 0.0 1 14 {} {0.354013657261 0.537138550408 0.953515034358} Si36 59 0.0 1 14 {} {0.60099678066 0.541646775172 0.818767328852} Si37 60 0.0 1 14 {} {0.351618385611 0.464012055027 0.560323875548} Si38 61 0.0 1 14 {} {0.346200122265 0.229313741038 0.942687068559} Si39 62 0.0 1 14 {} {0.601516388707 0.465007030094 0.690783657495} Si40 63 0.0 1 14 {} {0.595994133398 0.230023718523 0.814600288291} Si41 64 0.0 1 8 {} {0.861492254113 0.590117294635 0.0438044384494} O13 65 0.0 1 1 {} {0.76295457976 0.594535409716 0.105616805442} H12 66 0.0 1 8 {} {0.596073634193 0.597112303497 0.743694223694} O14 67 0.0 1 14 {} {0.590113186943 0.662788454928 0.744012461614} Si42 68 0.0 1 8 {} {0.834868577258 0.177814301286 0.0408942778937} O15 69 0.0 1 1 {} {0.433853617567 0.17429867399 0.101205963151} H13 70 0.0 1 8 {} {0.58475102122 0.179233325986 0.714270466192} O16 71 0.0 1 1 {} {0.684096509691 0.17566785653 0.654261684056} H14 72 0.0 1 7 {} {0.444324027079 0.688769428186 0.644957101822} N 73 0.0 1 1 {} {0.440358925311 0.752350508258 0.650238714104} H16 74 0.0 1 9 {} {0.787081898984 0.680465385449 0.720452267267} F4 75 0.0 1 9 {} {0.264922990867 0.682129959498 0.392574874855} F5 76 0.0 1 9 {} {0.543886006161 0.679686373949 0.882188856301} F3 77 0.0 1 9 {} {0.140577520149 0.662610443235 0.586346887207} F1 78 0.0 1 9 {} {0.436249984613 0.790918489385 0.660709879767} F2 79 0.0 1 9 {} {0.553513445362 0.65849788996 0.454159223409} 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