#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 {} {0.848387083082 0.307079470552 0.0630133472302} Si1 1 0.0 1 14 {} {0.848746117307 0.385212817969 0.444859418172} Si2 2 0.0 1 14 {} {0.0983675089347 0.307011827248 0.193103097883} Si3 3 0.0 1 14 {} {0.0985970642795 0.383238380964 0.317964355344} Si4 4 0.0 1 14 {} {0.856055479869 0.541106737805 0.436737155156} Si5 5 0.0 1 14 {} {0.103093131219 0.53741216817 0.307100763945} Si6 6 0.0 1 14 {} {0.850017217979 0.458874749077 0.0643044888154} Si7 7 0.0 1 14 {} {0.845116964875 0.229286523643 0.442214057494} Si8 8 0.0 1 14 {} {0.0994258488473 0.458487588409 0.19297906267} Si9 9 0.0 1 14 {} {0.0949621837849 0.228536382643 0.313917273668} Si10 10 0.0 1 8 {} {0.352462741506 0.59319000763 0.520626266205} O1 11 0.0 1 14 {} {0.337624908562 0.65796062092 0.522130126665} Si11 12 0.0 1 8 {} {0.111235002913 0.589672378466 0.211723151176} O2 13 0.0 1 1 {} {0.0114846998588 0.593428659474 0.151428827645} H1 14 0.0 1 8 {} {0.334059299474 0.177942653178 0.541186505677} O3 15 0.0 1 1 {} {0.93315215077 0.174675918857 0.60154130126} H2 16 0.0 1 8 {} {0.08372634373 0.176884470567 0.215955440617} O4 17 0.0 1 1 {} {0.182733560322 0.173254741223 0.155867372938} H3 18 0.0 1 14 {} {0.848807059076 0.307661410891 0.564507572824} Si12 19 0.0 1 14 {} {0.849204363099 0.383716755881 0.938995628828} Si13 20 0.0 1 14 {} {0.0989401875495 0.308225241809 0.693837506944} Si14 21 0.0 1 14 {} {0.0994498865434 0.386467681402 0.812132914842} Si15 22 0.0 1 14 {} {0.850637264698 0.537810190548 0.948748417972} Si16 23 0.0 1 14 {} {0.101521209422 0.541534164487 0.824119887128} Si17 24 0.0 1 14 {} {0.850068312391 0.464037993179 0.562873105996} Si18 25 0.0 1 14 {} {0.845048331464 0.228449320557 0.942697540078} Si19 26 0.0 1 14 {} {0.0992022585799 0.465309775654 0.693350704946} Si20 27 0.0 1 14 {} {0.0951636500092 0.229362751337 0.814779180179} Si21 28 0.0 1 8 {} {0.362617772494 0.588747496015 0.0472677564499} O5 29 0.0 1 1 {} {0.262284349955 0.593885908802 0.106364448586} H4 30 0.0 1 8 {} {0.126026344959 0.598731678868 0.752098366789} O6 31 0.0 1 1 {} {0.0281810675105 0.622484508066 0.736059598468} H5 32 0.0 1 8 {} {0.333867459103 0.176906377664 0.0411013835753} O7 33 0.0 1 1 {} {0.932930694372 0.173350194359 0.101162768149} H6 34 0.0 1 8 {} {0.0840773485063 0.178531596852 0.71452995455} O8 35 0.0 1 1 {} {0.183455170137 0.174899584784 0.65459025681} H7 36 0.0 1 14 {} {0.348280941636 0.307016276944 0.0629890234791} Si22 37 0.0 1 14 {} {0.348666641414 0.385476471828 0.44482217997} Si23 38 0.0 1 14 {} {0.598259650513 0.307035128623 0.193059085938} Si24 39 0.0 1 14 {} {0.598820732943 0.383315608132 0.317891234204} Si25 40 0.0 1 14 {} {0.353876945798 0.539939499136 0.433968220655} Si26 41 0.0 1 14 {} {0.606530878161 0.538194922524 0.308244090205} Si27 42 0.0 1 14 {} {0.350288103147 0.458127879131 0.0664548109015} Si28 43 0.0 1 14 {} {0.345070330411 0.229179304824 0.442065873295} Si29 44 0.0 1 14 {} {0.60128147342 0.45885723124 0.193618487445} Si30 45 0.0 1 14 {} {0.595106480397 0.228591546677 0.313966447454} Si31 46 0.0 1 8 {} {0.854394108597 0.593636384067 0.526805387385} O9 47 0.0 1 1 {} {0.939250938358 0.622525532202 0.518662856843} H8 48 0.0 1 8 {} {0.614334833176 0.589870343011 0.211401977255} O10 49 0.0 1 1 {} {0.513017156696 0.59402399935 0.152406476599} H9 50 0.0 1 8 {} {0.833884014459 0.178099066995 0.541450335349} O11 51 0.0 1 1 {} {0.433241299704 0.174406225109 0.60128716517} H10 52 0.0 1 8 {} {0.584025528972 0.176981757722 0.215906639428} O12 53 0.0 1 1 {} {0.682981491592 0.173398689822 0.155755321346} H11 54 0.0 1 14 {} {0.3486046857 0.307748108108 0.564054729793} Si32 55 0.0 1 14 {} {0.349194920924 0.383586520202 0.939336709648} Si33 56 0.0 1 14 {} {0.598494157754 0.307933521831 0.693561735583} Si34 57 0.0 1 14 {} {0.598967748162 0.385905398656 0.812165000721} Si35 58 0.0 1 14 {} {0.349552579991 0.536656287449 0.951926027353} Si36 59 0.0 1 14 {} {0.597460256947 0.539914451608 0.823808733011} Si37 60 0.0 1 14 {} {0.348862538217 0.463923812108 0.563191643775} Si38 61 0.0 1 14 {} {0.345051664463 0.22841809134 0.942783975596} Si39 62 0.0 1 14 {} {0.599282504984 0.464311030511 0.69241229309} Si40 63 0.0 1 14 {} {0.59502228045 0.229238537555 0.814713388637} Si41 64 0.0 1 8 {} {0.861576894351 0.589760913306 0.0448819758389} O13 65 0.0 1 1 {} {0.76167923735 0.594233452525 0.104997180251} H12 66 0.0 1 8 {} {0.595086265212 0.595076484018 0.743391194476} O14 67 0.0 1 14 {} {0.603161645833 0.659927895076 0.73920973201} Si42 68 0.0 1 8 {} {0.833933469723 0.176939342339 0.0410305455628} O15 69 0.0 1 1 {} {0.432866882843 0.173334028144 0.101215507348} H13 70 0.0 1 8 {} {0.583994201266 0.17832501603 0.71472132706} O16 71 0.0 1 1 {} {0.683316027042 0.17480789592 0.654686091466} H14 72 0.0 1 7 {} {0.468748153782 0.68547860747 0.629651027127} N 73 0.0 1 1 {} {0.434645314264 0.74738426139 0.655758125343} H16 74 0.0 1 9 {} {0.804835157361 0.674590408438 0.720259721928} F4 75 0.0 1 9 {} {0.361598954881 0.679215718012 0.385458947227} F5 76 0.0 1 9 {} {0.557742851015 0.680015853531 0.875311391015} F3 77 0.0 1 9 {} {0.132825125388 0.668466316663 0.547545591475} F1 78 0.0 1 9 {} {0.416076499507 0.782903511285 0.676262760832} F2 79 0.0 1 9 {} {0.591421047581 0.744294251216 0.515291407789} 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