#MD System 2.0 @Title neb0_image04 @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 {} {0.848310211647 0.307113020176 0.0629652996831} Si1 1 0.0 1 14 {} {0.848742066477 0.38511618201 0.444585313105} Si2 2 0.0 1 14 {} {0.0982734353548 0.307001826277 0.192988473648} Si3 3 0.0 1 14 {} {0.0984812656082 0.38313403433 0.317904218688} Si4 4 0.0 1 14 {} {0.855490715435 0.5412618323 0.436828883777} Si5 5 0.0 1 14 {} {0.104069098564 0.537495403551 0.307522888436} Si6 6 0.0 1 14 {} {0.84914155079 0.458413448423 0.065108415991} Si7 7 0.0 1 14 {} {0.844952396957 0.229296349789 0.442203296998} Si8 8 0.0 1 14 {} {0.0995085814959 0.458354683235 0.192972414831} Si9 9 0.0 1 14 {} {0.0948293515088 0.228547046271 0.3139028208} Si10 10 0.0 1 8 {} {0.357144887182 0.594056191427 0.519002365204} O1 11 0.0 1 14 {} {0.334570119924 0.658596050484 0.525121033922} Si11 12 0.0 1 8 {} {0.111589806009 0.589528017174 0.211529755533} O2 13 0.0 1 1 {} {0.0119703908432 0.593546274829 0.151242124642} H1 14 0.0 1 8 {} {0.333916395997 0.177858527144 0.541206953156} O3 15 0.0 1 1 {} {0.933059742653 0.17472564146 0.601577151609} H2 16 0.0 1 8 {} {0.083625832021 0.176920757782 0.215921004736} O4 17 0.0 1 1 {} {0.182678362279 0.17330639399 0.155868762291} H3 18 0.0 1 14 {} {0.848718261105 0.307667469958 0.564515651033} Si12 19 0.0 1 14 {} {0.849050837651 0.383562847321 0.938966018392} Si13 20 0.0 1 14 {} {0.0986766436454 0.308091216368 0.693804971454} Si14 21 0.0 1 14 {} {0.0994229860168 0.386253883654 0.812570653062} Si15 22 0.0 1 14 {} {0.849228881298 0.537414128833 0.948834488468} Si16 23 0.0 1 14 {} {0.0999851562797 0.541528455532 0.823166395475} Si17 24 0.0 1 14 {} {0.85002315241 0.464016354473 0.562038644977} Si18 25 0.0 1 14 {} {0.844974784656 0.228497472158 0.942743633088} Si19 26 0.0 1 14 {} {0.0990736409676 0.465338951982 0.693448322066} Si20 27 0.0 1 14 {} {0.0950326972403 0.229349231831 0.814845498334} Si21 28 0.0 1 8 {} {0.362411379007 0.588626196979 0.0466797127118} O5 29 0.0 1 1 {} {0.262470458009 0.593682866682 0.106025351205} H4 30 0.0 1 8 {} {0.129617412606 0.599306225572 0.753135838403} O6 31 0.0 1 1 {} {0.03255177342 0.622842947322 0.732563062516} H5 32 0.0 1 8 {} {0.333731921255 0.176962710787 0.0411237003413} O7 33 0.0 1 1 {} {0.932861073659 0.173407449145 0.101203296013} H6 34 0.0 1 8 {} {0.0839299754044 0.178589166587 0.714467233234} O8 35 0.0 1 1 {} {0.183390026322 0.174971681603 0.654588605028} H7 36 0.0 1 14 {} {0.348338052022 0.307084052623 0.0630067881933} Si22 37 0.0 1 14 {} {0.348903289695 0.385090391441 0.444230683206} Si23 38 0.0 1 14 {} {0.598353997814 0.30708588946 0.192917483354} Si24 39 0.0 1 14 {} {0.599133112042 0.383117710708 0.317955364086} Si25 40 0.0 1 14 {} {0.354624628429 0.540572801043 0.434955154255} Si26 41 0.0 1 14 {} {0.605476635016 0.538402774441 0.308602505675} Si27 42 0.0 1 14 {} {0.350356674847 0.45828337489 0.0663548315448} Si28 43 0.0 1 14 {} {0.34494498707 0.229066318866 0.44204196772} Si29 44 0.0 1 14 {} {0.600497523151 0.458802982896 0.194487809018} Si30 45 0.0 1 14 {} {0.594977001941 0.228666442547 0.313871122864} Si31 46 0.0 1 8 {} {0.853073211741 0.594059414786 0.52594003327} O9 47 0.0 1 1 {} {0.942469319987 0.621775656413 0.520950361062} H8 48 0.0 1 8 {} {0.614186692468 0.589769737452 0.211089701028} O10 49 0.0 1 1 {} {0.513312204567 0.59388738951 0.151777054318} H9 50 0.0 1 8 {} {0.833769429585 0.178140420395 0.541490717961} O11 51 0.0 1 1 {} {0.433105249756 0.174406763049 0.601340226367} H10 52 0.0 1 8 {} {0.583932676666 0.177057221037 0.21585085942} O12 53 0.0 1 1 {} {0.682898441459 0.173441814614 0.155720646979} H11 54 0.0 1 14 {} {0.348433209903 0.307512108865 0.564331010016} Si32 55 0.0 1 14 {} {0.349492244027 0.383679578846 0.939485624925} Si33 56 0.0 1 14 {} {0.598513312741 0.307876998198 0.693515924211} Si34 57 0.0 1 14 {} {0.599186582719 0.385852028613 0.812314429951} Si35 58 0.0 1 14 {} {0.348153367756 0.536765187852 0.951001588938} Si36 59 0.0 1 14 {} {0.596296025283 0.54050925136 0.822314981741} Si37 60 0.0 1 14 {} {0.349405318255 0.464082202894 0.562532911036} Si38 61 0.0 1 14 {} {0.34497642153 0.228463964269 0.942822399286} Si39 62 0.0 1 14 {} {0.59993014078 0.46441251753 0.692645105929} Si40 63 0.0 1 14 {} {0.594946447106 0.229231402651 0.814794059136} Si41 64 0.0 1 8 {} {0.861750530539 0.589386012654 0.0447336864361} O13 65 0.0 1 1 {} {0.762144958034 0.594052113826 0.104996482305} H12 66 0.0 1 8 {} {0.594613993172 0.595436782497 0.743694266692} O14 67 0.0 1 14 {} {0.601893976678 0.660161897996 0.740238231462} Si42 68 0.0 1 8 {} {0.83388402748 0.177007060669 0.0410620443938} O15 69 0.0 1 1 {} {0.432776504447 0.173383038009 0.10119536187} H13 70 0.0 1 8 {} {0.583806881619 0.178374367899 0.714678031345} O16 71 0.0 1 1 {} {0.683195201638 0.174881145832 0.65468727302} H14 72 0.0 1 7 {} {0.464617088387 0.684152230257 0.633168376309} N 73 0.0 1 1 {} {0.437305943607 0.745199057894 0.653747641979} H16 74 0.0 1 9 {} {0.803278074244 0.674723510408 0.720923816046} F4 75 0.0 1 9 {} {0.36189598818 0.678465240404 0.387500130976} F5 76 0.0 1 9 {} {0.556423201969 0.680226524268 0.87599693819} F3 77 0.0 1 9 {} {0.129099348531 0.668569550316 0.552673806483} F1 78 0.0 1 9 {} {0.417650287201 0.782069156032 0.675681066348} F2 79 0.0 1 9 {} {0.594515214676 0.746869283728 0.507760576252} 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