#MD System 2.0 @Title neb0_image02 @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 {} {0.848050056713 0.306856865144 0.0632010842839} Si1 1 0.0 1 14 {} {0.848395841968 0.385072062126 0.444711677436} Si2 2 0.0 1 14 {} {0.0979046378962 0.306834356959 0.193133678007} Si3 3 0.0 1 14 {} {0.0982483507971 0.383023884163 0.317944752673} Si4 4 0.0 1 14 {} {0.854842318167 0.541008591174 0.435408765459} Si5 5 0.0 1 14 {} {0.103280606217 0.537200222026 0.307850253459} Si6 6 0.0 1 14 {} {0.848789573094 0.458109425645 0.0653225699242} Si7 7 0.0 1 14 {} {0.84441848787 0.229031587788 0.44206189348} Si8 8 0.0 1 14 {} {0.0990966585526 0.458189285394 0.192977835559} Si9 9 0.0 1 14 {} {0.0944260648942 0.228363042093 0.314141316073} Si10 10 0.0 1 8 {} {0.35922925668 0.593285945591 0.51992527751} O1 11 0.0 1 14 {} {0.344397063763 0.658096024939 0.522559905533} Si11 12 0.0 1 8 {} {0.111738221965 0.589483898746 0.212286509569} O2 13 0.0 1 1 {} {0.0119686920144 0.593290133691 0.151990640514} H1 14 0.0 1 8 {} {0.33353323991 0.177698227554 0.541408741588} O3 15 0.0 1 1 {} {0.932749862133 0.174641370576 0.601869384466} H2 16 0.0 1 8 {} {0.0833521005652 0.17671120113 0.216025080798} O4 17 0.0 1 1 {} {0.182359379183 0.173209730478 0.155875970536} H3 18 0.0 1 14 {} {0.848101870721 0.307474749139 0.564305548757} Si12 19 0.0 1 14 {} {0.849138261704 0.383304123253 0.939037203533} Si13 20 0.0 1 14 {} {0.0980936823104 0.307729398663 0.693493311227} Si14 21 0.0 1 14 {} {0.0991811638111 0.385736437341 0.812044765694} Si15 22 0.0 1 14 {} {0.849270601934 0.536752146872 0.949492610563} Si16 23 0.0 1 14 {} {0.0980441808387 0.540304237845 0.823828401867} Si17 24 0.0 1 14 {} {0.849941293005 0.463931332737 0.562392629093} Si18 25 0.0 1 14 {} {0.844450922663 0.228281229255 0.942769492853} Si19 26 0.0 1 14 {} {0.0990051743719 0.46421289294 0.692614616522} Si20 27 0.0 1 14 {} {0.0944635382644 0.22912292572 0.814954004507} Si21 28 0.0 1 8 {} {0.36112824651 0.588670838226 0.0460879858535} O5 29 0.0 1 1 {} {0.261501410188 0.593317571181 0.106236171655} H4 30 0.0 1 8 {} {0.115616983773 0.597395322792 0.746998983655} O6 31 0.0 1 1 {} {0.0269068090915 0.623342543151 0.734357296322} H5 32 0.0 1 8 {} {0.333381953711 0.176660335406 0.0411048545862} O7 33 0.0 1 1 {} {0.932479362464 0.173295629495 0.101394134671} H6 34 0.0 1 8 {} {0.0835893583217 0.178192038717 0.714819081746} O8 35 0.0 1 1 {} {0.182943753295 0.174769190005 0.654771576359} H7 36 0.0 1 14 {} {0.347881041006 0.306827208165 0.0632540851528} Si22 37 0.0 1 14 {} {0.34869248999 0.384741505969 0.444282962502} Si23 38 0.0 1 14 {} {0.597970352168 0.306807130313 0.192941061098} Si24 39 0.0 1 14 {} {0.598800327621 0.38300380701 0.317667374951} Si25 40 0.0 1 14 {} {0.354538582836 0.539225863951 0.433481833098} Si26 41 0.0 1 14 {} {0.605634131927 0.537662795787 0.307925650196} Si27 42 0.0 1 14 {} {0.34962257441 0.458016840508 0.0660450078286} Si28 43 0.0 1 14 {} {0.344523832761 0.228881833145 0.44199498583} Si29 44 0.0 1 14 {} {0.599907450183 0.458462331984 0.193769884607} Si30 45 0.0 1 14 {} {0.594484631686 0.228328444886 0.313951758229} Si31 46 0.0 1 8 {} {0.84683567685 0.595183079811 0.520678059084} O9 47 0.0 1 1 {} {0.942174560753 0.621029496326 0.521139973326} H8 48 0.0 1 8 {} {0.614197295449 0.589106101085 0.210153376714} O10 49 0.0 1 1 {} {0.512891518286 0.593268187212 0.15102790373} H9 50 0.0 1 8 {} {0.833487831812 0.17792241462 0.541680399719} O11 51 0.0 1 1 {} {0.432669306668 0.174402871227 0.601665207645} H10 52 0.0 1 8 {} {0.583594319065 0.176658728688 0.215879223191} O12 53 0.0 1 1 {} {0.682502721431 0.173197626165 0.155613089192} H11 54 0.0 1 14 {} {0.347995985762 0.307276722844 0.564322054802} Si32 55 0.0 1 14 {} {0.348906598563 0.383302408124 0.939294623911} Si33 56 0.0 1 14 {} {0.598075621362 0.307599981979 0.693372752162} Si34 57 0.0 1 14 {} {0.599036608545 0.385443171259 0.812386048044} Si35 58 0.0 1 14 {} {0.348595456397 0.536568606396 0.950518704489} Si36 59 0.0 1 14 {} {0.597472040292 0.539599918154 0.823584673552} Si37 60 0.0 1 14 {} {0.349552181034 0.463192115595 0.563206297131} Si38 61 0.0 1 14 {} {0.344326241673 0.228258524332 0.942847575453} Si39 62 0.0 1 14 {} {0.599890147867 0.463823360196 0.692420495147} Si40 63 0.0 1 14 {} {0.59438756573 0.229051281269 0.815018001758} Si41 64 0.0 1 8 {} {0.862246385414 0.589197900172 0.0441854774785} O13 65 0.0 1 1 {} {0.762266689814 0.593284253277 0.104733488891} H12 66 0.0 1 8 {} {0.591781104032 0.594857128328 0.74229952973} O14 67 0.0 1 14 {} {0.602295244042 0.659235685981 0.740999503687} Si42 68 0.0 1 8 {} {0.833597614738 0.176700847769 0.041077623161} O15 69 0.0 1 1 {} {0.432411252699 0.173191457301 0.101261398294} H13 70 0.0 1 8 {} {0.58347315422 0.178112196514 0.714922868518} O16 71 0.0 1 1 {} {0.68280438706 0.17478041353 0.654812038828} H14 72 0.0 1 7 {} {0.467511621447 0.684467782591 0.634908327259} N 73 0.0 1 1 {} {0.456381060764 0.726504898984 0.640182129448} H16 74 0.0 1 9 {} {0.805167588097 0.673249874519 0.721330561112} F4 75 0.0 1 9 {} {0.377196444158 0.679919742801 0.388197241428} F5 76 0.0 1 9 {} {0.558863679079 0.680836658319 0.87553147705} F3 77 0.0 1 9 {} {0.138243168957 0.669410110648 0.545318746971} F1 78 0.0 1 9 {} {0.427720045461 0.792782751433 0.664304282073} F2 79 0.0 1 9 {} {0.571417151445 0.778461449461 0.550665564291} 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 2 0 0 0 38 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 79 78 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 2 {1 0 0} 0 21 0 38 {0 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 78 79 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 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