#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 {} {0.848370806589 0.307272098224 0.0630821692982} Si1 1 0.0 1 14 {} {0.848587477542 0.385273140934 0.444873323749} Si2 2 0.0 1 14 {} {0.0983746218088 0.307105385064 0.193184847515} Si3 3 0.0 1 14 {} {0.0982452839064 0.38332815812 0.318075617071} Si4 4 0.0 1 14 {} {0.855958158456 0.540958783742 0.436734192061} Si5 5 0.0 1 14 {} {0.103586263788 0.537387432212 0.307504220703} Si6 6 0.0 1 14 {} {0.850055363819 0.458797604411 0.0644825473448} Si7 7 0.0 1 14 {} {0.845263987301 0.229290153876 0.442155835305} Si8 8 0.0 1 14 {} {0.099464573059 0.458362324282 0.19264774654} Si9 9 0.0 1 14 {} {0.09515836791 0.228561978029 0.31403361451} Si10 10 0.0 1 8 {} {0.354052719403 0.593661872347 0.52004405446} O1 11 0.0 1 14 {} {0.335565211154 0.658051886081 0.52089810287} Si11 12 0.0 1 8 {} {0.110689128047 0.589725724353 0.211885315782} O2 13 0.0 1 1 {} {0.0110685068969 0.593547404598 0.151395853396} H1 14 0.0 1 8 {} {0.334137675637 0.178046081988 0.54120908123} O3 15 0.0 1 1 {} {0.933298927257 0.174678148541 0.601524478431} H2 16 0.0 1 8 {} {0.083901927053 0.17690507692 0.216026207493} O4 17 0.0 1 1 {} {0.182854424179 0.173265979991 0.155895902499} H3 18 0.0 1 14 {} {0.848932650358 0.307732167919 0.564580140953} Si12 19 0.0 1 14 {} {0.849321705253 0.383804681111 0.938953097119} Si13 20 0.0 1 14 {} {0.0989932152889 0.30823821431 0.693666639495} Si14 21 0.0 1 14 {} {0.0992932596176 0.386381359963 0.812316686667} Si15 22 0.0 1 14 {} {0.850983030342 0.537932616962 0.94899281748} Si16 23 0.0 1 14 {} {0.102059772073 0.541552410179 0.824491561224} Si17 24 0.0 1 14 {} {0.849932221646 0.464021206836 0.562810520601} Si18 25 0.0 1 14 {} {0.845180863639 0.228524319394 0.942595051145} Si19 26 0.0 1 14 {} {0.0988961338327 0.465298057877 0.693704906417} Si20 27 0.0 1 14 {} {0.0952953951757 0.229414902138 0.81477562665} Si21 28 0.0 1 8 {} {0.363011406038 0.588861284688 0.0477448471056} O5 29 0.0 1 1 {} {0.262218886692 0.593903006553 0.106506521598} H4 30 0.0 1 8 {} {0.123897712196 0.598795439398 0.752551369186} O6 31 0.0 1 1 {} {0.025643018381 0.622324907299 0.737258954313} H5 32 0.0 1 8 {} {0.334011138815 0.176870339678 0.0410493258341} O7 33 0.0 1 1 {} {0.932987772958 0.173355174479 0.101111723431} H6 34 0.0 1 8 {} {0.0841924892892 0.178561226412 0.71454838562} O8 35 0.0 1 1 {} {0.183595699786 0.174940986831 0.654615301451} H7 36 0.0 1 14 {} {0.348354305963 0.307033281216 0.0631075283714} Si22 37 0.0 1 14 {} {0.348841897961 0.385292904968 0.444178073517} Si23 38 0.0 1 14 {} {0.59832757006 0.30723506824 0.193214119143} Si24 39 0.0 1 14 {} {0.599203536677 0.383537230415 0.317870591182} Si25 40 0.0 1 14 {} {0.354006393501 0.539769893166 0.433987301795} Si26 41 0.0 1 14 {} {0.606006404325 0.538299907146 0.308981356869} Si27 42 0.0 1 14 {} {0.350825444051 0.458050211312 0.0668737467773} Si28 43 0.0 1 14 {} {0.345226284427 0.229254401748 0.44196894887} Si29 44 0.0 1 14 {} {0.601752232954 0.458935854795 0.193638129867} Si30 45 0.0 1 14 {} {0.595259950324 0.228638770346 0.314021498316} Si31 46 0.0 1 8 {} {0.854093239637 0.593535911825 0.527448152528} O9 47 0.0 1 1 {} {0.937442427949 0.622621478022 0.517266928144} H8 48 0.0 1 8 {} {0.614490852043 0.590012352511 0.211960092477} O10 49 0.0 1 1 {} {0.513188035826 0.594064824871 0.152965802821} H9 50 0.0 1 8 {} {0.834055458364 0.178079568658 0.541393367822} O11 51 0.0 1 1 {} {0.433408390161 0.174489264121 0.601229159787} H10 52 0.0 1 8 {} {0.584184795156 0.176978119597 0.216006227903} O12 53 0.0 1 1 {} {0.683071817733 0.173400918841 0.155790116181} H11 54 0.0 1 14 {} {0.348642882366 0.30773752211 0.564225645159} Si32 55 0.0 1 14 {} {0.349156430891 0.383612512405 0.939355680694} Si33 56 0.0 1 14 {} {0.598649595188 0.307910876318 0.693357468115} Si34 57 0.0 1 14 {} {0.599223799074 0.385792117756 0.81250868367} Si35 58 0.0 1 14 {} {0.350687853016 0.536797411737 0.951901662721} Si36 59 0.0 1 14 {} {0.598161249118 0.54014980356 0.823718096564} Si37 60 0.0 1 14 {} {0.348979843297 0.463912186604 0.563335009945} Si38 61 0.0 1 14 {} {0.345137600442 0.228394261853 0.942698741983} Si39 62 0.0 1 14 {} {0.599693851079 0.464330648318 0.692779915499} Si40 63 0.0 1 14 {} {0.595089335478 0.229229000617 0.814778780183} Si41 64 0.0 1 8 {} {0.861719137457 0.590121996337 0.0448406392712} O13 65 0.0 1 1 {} {0.7616228346 0.594294054909 0.104844874315} H12 66 0.0 1 8 {} {0.592787754295 0.595406104783 0.742424199505} O14 67 0.0 1 14 {} {0.605008604384 0.659821529289 0.738807001081} Si42 68 0.0 1 8 {} {0.834086806783 0.176971930796 0.040910514312} O15 69 0.0 1 1 {} {0.432982383899 0.173342397737 0.101211785303} H13 70 0.0 1 8 {} {0.584139138073 0.178313507887 0.714738526515} O16 71 0.0 1 1 {} {0.683482220338 0.174820291514 0.654706810869} H14 72 0.0 1 7 {} {0.4717684942 0.685738070931 0.627032228023} N 73 0.0 1 1 {} {0.432088631127 0.746901908698 0.656349881755} H16 74 0.0 1 9 {} {0.805496367983 0.674692640196 0.718891556669} F4 75 0.0 1 9 {} {0.36591589453 0.678813816609 0.3845993652} F5 76 0.0 1 9 {} {0.556846336834 0.679954615879 0.873738990607} F3 77 0.0 1 9 {} {0.13142191517 0.668921475661 0.547579026753} F1 78 0.0 1 9 {} {0.418569132672 0.784173969705 0.672642183541} F2 79 0.0 1 9 {} {0.585865671352 0.740318159177 0.522446408727} 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