#MD System 2.0 @Title neb0_image05 @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 {} {0.848814419169 0.307667440545 0.0636348958064} Si1 1 0.0 1 14 {} {0.849244312272 0.38513682683 0.444189496585} Si2 2 0.0 1 14 {} {0.0987854159437 0.30740752026 0.192642980932} Si3 3 0.0 1 14 {} {0.0982585290859 0.38365073298 0.318149684579} Si4 4 0.0 1 14 {} {0.854689029202 0.539835490427 0.436479451004} Si5 5 0.0 1 14 {} {0.101260234433 0.536608570231 0.307380007034} Si6 6 0.0 1 14 {} {0.850057116867 0.459373326718 0.0629017547105} Si7 7 0.0 1 14 {} {0.845222853415 0.229656841717 0.442005639025} Si8 8 0.0 1 14 {} {0.0979039246241 0.45841534954 0.190502456028} Si9 9 0.0 1 14 {} {0.0950585033353 0.228976051735 0.314218906858} Si10 10 0.0 1 8 {} {0.34559842782 0.593042955967 0.513857568425} O1 11 0.0 1 14 {} {0.331245912379 0.655939238735 0.51621412629} Si11 12 0.0 1 8 {} {0.110224815363 0.589889375088 0.213205540998} O2 13 0.0 1 1 {} {0.0117664314685 0.593433899991 0.152106490464} H1 14 0.0 1 8 {} {0.33447665199 0.178229232407 0.540940472442} O3 15 0.0 1 1 {} {0.933413173069 0.175159605081 0.601509603881} H2 16 0.0 1 8 {} {0.084251765464 0.17718143282 0.216158284274} O4 17 0.0 1 1 {} {0.182994056819 0.173776581062 0.155837970818} H3 18 0.0 1 14 {} {0.849339300933 0.307892159044 0.56527818291} Si12 19 0.0 1 14 {} {0.84961600116 0.384052102083 0.937960049852} Si13 20 0.0 1 14 {} {0.0993472144882 0.308714595775 0.69327394525} Si14 21 0.0 1 14 {} {0.099467922473 0.386640329049 0.813009537755} Si15 22 0.0 1 14 {} {0.852507182617 0.538442533102 0.947492613671} Si16 23 0.0 1 14 {} {0.106266541376 0.541123072213 0.826413417539} Si17 24 0.0 1 14 {} {0.850178805873 0.463491512947 0.564294563185} Si18 25 0.0 1 14 {} {0.845226336545 0.228991573731 0.94241363686} Si19 26 0.0 1 14 {} {0.0988064889289 0.465246345724 0.693309326936} Si20 27 0.0 1 14 {} {0.0954485972309 0.229979281556 0.814994822152} Si21 28 0.0 1 8 {} {0.364300815752 0.589223284187 0.047605003746} O5 29 0.0 1 1 {} {0.26335282757 0.593691974971 0.106106729564} H4 30 0.0 1 8 {} {0.131546257476 0.599121700934 0.756610445946} O6 31 0.0 1 1 {} {0.0308994087998 0.619830695332 0.732609866778} H5 32 0.0 1 8 {} {0.334385897528 0.177189956532 0.0409304212665} O7 33 0.0 1 1 {} {0.933080485328 0.173867872073 0.101092310437} H6 34 0.0 1 8 {} {0.0846398903293 0.178983543844 0.714719317175} O8 35 0.0 1 1 {} {0.183756766725 0.175541060911 0.654566637725} H7 36 0.0 1 14 {} {0.348895909386 0.307440089766 0.0636668614448} Si22 37 0.0 1 14 {} {0.34909401003 0.385005507396 0.442824348125} Si23 38 0.0 1 14 {} {0.59887916476 0.307728201147 0.192914104614} Si24 39 0.0 1 14 {} {0.600153007198 0.383977730699 0.318491857288} Si25 40 0.0 1 14 {} {0.352462003994 0.536883929601 0.430479241506} Si26 41 0.0 1 14 {} {0.60651241996 0.537532819793 0.309014775506} Si27 42 0.0 1 14 {} {0.35145349867 0.457908300171 0.0684365731893} Si28 43 0.0 1 14 {} {0.345049069331 0.229627379918 0.441820302948} Si29 44 0.0 1 14 {} {0.603299539607 0.458892051158 0.191636241028} Si30 45 0.0 1 14 {} {0.595147527031 0.229165640568 0.314269701035} Si31 46 0.0 1 8 {} {0.851312817302 0.593252002836 0.527968711737} O9 47 0.0 1 1 {} {0.93554104891 0.621146969019 0.514675643458} H8 48 0.0 1 8 {} {0.612816093261 0.590378129055 0.214080564326} O10 49 0.0 1 1 {} {0.513094218366 0.593446729432 0.153379461071} H9 50 0.0 1 8 {} {0.834429117156 0.178254880414 0.54116104127} O11 51 0.0 1 1 {} {0.433519611967 0.174971261886 0.60114852911} H10 52 0.0 1 8 {} {0.584498277692 0.177376497333 0.216163249638} O12 53 0.0 1 1 {} {0.683199392629 0.174025645537 0.155804103432} H11 54 0.0 1 14 {} {0.348735747112 0.307861252586 0.564650802597} Si32 55 0.0 1 14 {} {0.349176978812 0.383892921135 0.938605651374} Si33 56 0.0 1 14 {} {0.598732872806 0.308319674322 0.692671519062} Si34 57 0.0 1 14 {} {0.599315971187 0.386011069445 0.813334297297} Si35 58 0.0 1 14 {} {0.353912508285 0.536311081455 0.952840409035} Si36 59 0.0 1 14 {} {0.60020126369 0.539040856725 0.824474954532} Si37 60 0.0 1 14 {} {0.348480472671 0.462783087674 0.565246551968} Si38 61 0.0 1 14 {} {0.34523652317 0.228877659965 0.942609459778} Si39 62 0.0 1 14 {} {0.599772957242 0.464051956986 0.69159608059} Si40 63 0.0 1 14 {} {0.595082290764 0.229694770325 0.814959937269} Si41 64 0.0 1 8 {} {0.859942835513 0.590807462369 0.0438933678219} O13 65 0.0 1 1 {} {0.761320436613 0.593919646592 0.105094116921} H12 66 0.0 1 8 {} {0.590766475911 0.595805251176 0.742480864363} O14 67 0.0 1 14 {} {0.606367879215 0.658680979171 0.736575650378} Si42 68 0.0 1 8 {} {0.834385312479 0.177284747426 0.0407273852119} O15 69 0.0 1 1 {} {0.433123712126 0.173901027768 0.101297553402} H13 70 0.0 1 8 {} {0.584512421766 0.178633998322 0.714861195926} O16 71 0.0 1 1 {} {0.683616031796 0.175341907313 0.654639313619} H14 72 0.0 1 7 {} {0.488164080431 0.685759310083 0.612040584101} N 73 0.0 1 1 {} {0.413256310931 0.75709183316 0.669461924905} H16 74 0.0 1 9 {} {0.804288580203 0.675940470645 0.718645901578} F4 75 0.0 1 9 {} {0.351419199616 0.680389363992 0.38209092401} F5 76 0.0 1 9 {} {0.536470780258 0.685705192416 0.859493991046} F3 77 0.0 1 9 {} {0.138928418415 0.671378477585 0.562107403124} F1 78 0.0 1 9 {} {0.40832954254 0.794002542974 0.686384444078} F2 79 0.0 1 9 {} {0.617713853948 0.710529932244 0.530915524191} 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