#MD System 2.0 @Title neb0_image03 @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 {} {0.848375057665 0.307133593026 0.0629264548627} Si1 1 0.0 1 14 {} {0.848752992101 0.385134022712 0.444588588205} Si2 2 0.0 1 14 {} {0.0983207210811 0.307019850423 0.19297793508} Si3 3 0.0 1 14 {} {0.0984874788987 0.383147644734 0.317881665024} Si4 4 0.0 1 14 {} {0.856128127006 0.541531280311 0.436669213699} Si5 5 0.0 1 14 {} {0.103568180914 0.53736466699 0.307290385499} Si6 6 0.0 1 14 {} {0.848412491146 0.458300579104 0.0657022609696} Si7 7 0.0 1 14 {} {0.844916015348 0.229326847096 0.44214197401} Si8 8 0.0 1 14 {} {0.0993174950786 0.458294697367 0.192775789577} Si9 9 0.0 1 14 {} {0.0947860952813 0.228590391427 0.313958536428} Si10 10 0.0 1 8 {} {0.359504043245 0.59462092266 0.519170596405} O1 11 0.0 1 14 {} {0.330813324449 0.658189220718 0.528070833259} Si11 12 0.0 1 8 {} {0.111883739984 0.58951938946 0.211337401549} O2 13 0.0 1 1 {} {0.012143672849 0.593590118679 0.151131429813} H1 14 0.0 1 8 {} {0.33388841903 0.177830322793 0.541184517483} O3 15 0.0 1 1 {} {0.93306831954 0.174753121014 0.601610557886} H2 16 0.0 1 8 {} {0.0836084418151 0.176927411222 0.215896493513} O4 17 0.0 1 1 {} {0.182718589222 0.173342641691 0.155851331055} H3 18 0.0 1 14 {} {0.848775213581 0.307685424152 0.564508170321} Si12 19 0.0 1 14 {} {0.849085541566 0.383681309998 0.938987144352} Si13 20 0.0 1 14 {} {0.0986644116811 0.308128787024 0.693910406169} Si14 21 0.0 1 14 {} {0.0994547517933 0.386181580335 0.812504336589} Si15 22 0.0 1 14 {} {0.848021493299 0.537014420525 0.949663478497} Si16 23 0.0 1 14 {} {0.0985665290685 0.542091322573 0.822931127596} Si17 24 0.0 1 14 {} {0.850065808523 0.464006063698 0.561737669931} Si18 25 0.0 1 14 {} {0.844976111583 0.228529798421 0.942645461565} Si19 26 0.0 1 14 {} {0.0990704408997 0.464659550356 0.692481164836} Si20 27 0.0 1 14 {} {0.0950044341613 0.229445202343 0.814859178322} Si21 28 0.0 1 8 {} {0.362205279326 0.588755500689 0.0465630241551} O5 29 0.0 1 1 {} {0.262125882689 0.593621321392 0.106229964063} H4 30 0.0 1 8 {} {0.125936075258 0.599408934194 0.753618927948} O6 31 0.0 1 1 {} {0.0378119794732 0.623421840768 0.73059135512} H5 32 0.0 1 8 {} {0.333724380524 0.176978932373 0.041156266182} O7 33 0.0 1 1 {} {0.932896151013 0.173448383302 0.101242748855} H6 34 0.0 1 8 {} {0.0839183982748 0.178632640052 0.714467529535} O8 35 0.0 1 1 {} {0.183401404727 0.175036636597 0.654592026533} H7 36 0.0 1 14 {} {0.348342243687 0.307113562871 0.0629878312076} Si22 37 0.0 1 14 {} {0.349053491415 0.384812901325 0.44403952232} Si23 38 0.0 1 14 {} {0.598391256663 0.307161852568 0.192918528587} Si24 39 0.0 1 14 {} {0.599260144997 0.383239527872 0.31787491468} Si25 40 0.0 1 14 {} {0.354177777977 0.540894184632 0.435231051587} Si26 41 0.0 1 14 {} {0.605933480283 0.538494158598 0.308804358107} Si27 42 0.0 1 14 {} {0.350863781331 0.458286669926 0.0667332440052} Si28 43 0.0 1 14 {} {0.34487908961 0.22908019675 0.441993835985} Si29 44 0.0 1 14 {} {0.600554771518 0.458963324697 0.195028442488} Si30 45 0.0 1 14 {} {0.594933083799 0.228720574448 0.313944390799} Si31 46 0.0 1 8 {} {0.8530473504 0.594362130799 0.525973075474} O9 47 0.0 1 1 {} {0.944662734396 0.621409100961 0.522671730077} H8 48 0.0 1 8 {} {0.614188493739 0.589826428417 0.210919065444} O10 49 0.0 1 1 {} {0.513542840532 0.593939787338 0.151245312849} H9 50 0.0 1 8 {} {0.833759425885 0.178130887138 0.541502276278} O11 51 0.0 1 1 {} {0.433073967306 0.174424492343 0.601351825891} H10 52 0.0 1 8 {} {0.583912398181 0.177077952998 0.215824568848} O12 53 0.0 1 1 {} {0.682932403898 0.17347992618 0.15570027394} H11 54 0.0 1 14 {} {0.348383706208 0.30742452802 0.564431195297} Si32 55 0.0 1 14 {} {0.349596101423 0.383754362428 0.939470072924} Si33 56 0.0 1 14 {} {0.598565596753 0.307881137182 0.693496108453} Si34 57 0.0 1 14 {} {0.599289622646 0.385851243615 0.812229332746} Si35 58 0.0 1 14 {} {0.349340985828 0.536701712727 0.950843117813} Si36 59 0.0 1 14 {} {0.597387179075 0.540497394962 0.822352864699} Si37 60 0.0 1 14 {} {0.349848885295 0.463545425127 0.562597966321} Si38 61 0.0 1 14 {} {0.34489935316 0.228516263381 0.942763777972} Si39 62 0.0 1 14 {} {0.600186009129 0.464341572147 0.69243985929} Si40 63 0.0 1 14 {} {0.594877982251 0.229274685873 0.814879284009} Si41 64 0.0 1 8 {} {0.862196979695 0.589394812427 0.0445176026558} O13 65 0.0 1 1 {} {0.76257300436 0.593834715038 0.10476025184} H12 66 0.0 1 8 {} {0.593809424162 0.595323854742 0.742288581472} O14 67 0.0 1 14 {} {0.599554163574 0.659736632432 0.742949035711} Si42 68 0.0 1 8 {} {0.833865045024 0.177014932564 0.0411013949493} O15 69 0.0 1 1 {} {0.432825530472 0.173423626333 0.101223168145} H13 70 0.0 1 8 {} {0.583771103504 0.178390915737 0.714662498804} O16 71 0.0 1 1 {} {0.683203214027 0.174936203928 0.654673405944} H14 72 0.0 1 7 {} {0.45291136188 0.683052846154 0.642336716921} N 73 0.0 1 1 {} {0.450424447309 0.725583170717 0.643031867654} H16 74 0.0 1 9 {} {0.802043350883 0.674678358587 0.721369514682} F4 75 0.0 1 9 {} {0.363293334175 0.678372816724 0.391374611175} F5 76 0.0 1 9 {} {0.55667573063 0.680506971106 0.878785677376} F3 77 0.0 1 9 {} {0.12379229839 0.668283885367 0.554495839094} F1 78 0.0 1 9 {} {0.442670299996 0.785682844512 0.652068612991} F2 79 0.0 1 9 {} {0.572151739143 0.76366737931 0.52050877422} 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 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 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 0 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 0 36 2 0 0 63 56 0 0 44 41 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 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 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 68 33 {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 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 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