#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 {} {0.848341988431 0.307047056944 0.0632130784998} Si1 1 0.0 1 14 {} {0.848470895673 0.385228589451 0.444834485903} Si2 2 0.0 1 14 {} {0.0982426709526 0.306961368007 0.193203034481} Si3 3 0.0 1 14 {} {0.098230865865 0.383212371619 0.31812274873} Si4 4 0.0 1 14 {} {0.854863468438 0.540844019286 0.435856777522} Si5 5 0.0 1 14 {} {0.102741063655 0.537147303123 0.307755036686} Si6 6 0.0 1 14 {} {0.850761055515 0.458505682485 0.0647455725237} Si7 7 0.0 1 14 {} {0.844852372863 0.229159145319 0.442097589858} Si8 8 0.0 1 14 {} {0.0992027371511 0.458266599751 0.192967047149} Si9 9 0.0 1 14 {} {0.0947707281802 0.228430677317 0.314195745111} Si10 10 0.0 1 8 {} {0.355792656973 0.592268404468 0.520026397987} O1 11 0.0 1 14 {} {0.335994890508 0.656146786692 0.525646760194} Si11 12 0.0 1 8 {} {0.111184875642 0.589678502405 0.212486298479} O2 13 0.0 1 1 {} {0.0115291194836 0.59328535083 0.152056868513} H1 14 0.0 1 8 {} {0.334018292991 0.177830739678 0.541313107438} O3 15 0.0 1 1 {} {0.933126779326 0.174700479287 0.60173043952} H2 16 0.0 1 8 {} {0.0837861939948 0.176754224861 0.216045108546} O4 17 0.0 1 1 {} {0.182727324179 0.173299713325 0.155816169038} H3 18 0.0 1 14 {} {0.84865206965 0.307604018165 0.564549993003} Si12 19 0.0 1 14 {} {0.849374384901 0.383623188899 0.938997105761} Si13 20 0.0 1 14 {} {0.0987700617777 0.307990571107 0.693516529753} Si14 21 0.0 1 14 {} {0.0992040248385 0.386030362857 0.812175312042} Si15 22 0.0 1 14 {} {0.851079198151 0.537285171709 0.949247727802} Si16 23 0.0 1 14 {} {0.100939754539 0.541263811898 0.823853208299} Si17 24 0.0 1 14 {} {0.85004995806 0.46397368926 0.56289667884} Si18 25 0.0 1 14 {} {0.844859138584 0.228385082461 0.942579339386} Si19 26 0.0 1 14 {} {0.0987906123295 0.464733765697 0.693247770571} Si20 27 0.0 1 14 {} {0.0949829918561 0.229238731167 0.814921148458} Si21 28 0.0 1 8 {} {0.361981275774 0.5887447897 0.0466939204794} O5 29 0.0 1 1 {} {0.262013224128 0.593546648553 0.106298251402} H4 30 0.0 1 8 {} {0.119925234558 0.597816208343 0.748865228261} O6 31 0.0 1 1 {} {0.0204478901624 0.621849951102 0.73888805015} H5 32 0.0 1 8 {} {0.333900410175 0.176736685146 0.0410457737948} O7 33 0.0 1 1 {} {0.932866401641 0.173382501699 0.101261114947} H6 34 0.0 1 8 {} {0.0840760720937 0.178283379597 0.714770747937} O8 35 0.0 1 1 {} {0.183382554418 0.174853683446 0.654675662153} H7 36 0.0 1 14 {} {0.34811295769 0.306916145867 0.0632385667845} Si22 37 0.0 1 14 {} {0.348555327028 0.384994730417 0.44435315439} Si23 38 0.0 1 14 {} {0.598218178317 0.306980167855 0.193078384464} Si24 39 0.0 1 14 {} {0.598781579527 0.383351883835 0.317805754128} Si25 40 0.0 1 14 {} {0.354396744878 0.538736687421 0.43262809635} Si26 41 0.0 1 14 {} {0.606466518547 0.537517688064 0.307844804267} Si27 42 0.0 1 14 {} {0.349672664335 0.457932037895 0.0668508346192} Si28 43 0.0 1 14 {} {0.344825935011 0.229079445484 0.442016007416} Si29 44 0.0 1 14 {} {0.601512522591 0.458503939675 0.192457601224} Si30 45 0.0 1 14 {} {0.594794150064 0.228461614196 0.314167715126} Si31 46 0.0 1 8 {} {0.848376331579 0.594660293678 0.522595148212} O9 47 0.0 1 1 {} {0.940425884361 0.62135756273 0.518243363984} H8 48 0.0 1 8 {} {0.613946320822 0.589668243001 0.211690610802} O10 49 0.0 1 1 {} {0.512800572867 0.593432253155 0.152403217615} H9 50 0.0 1 8 {} {0.83388886656 0.177957080432 0.541534022065} O11 51 0.0 1 1 {} {0.433204036421 0.174512382168 0.601511714224} H10 52 0.0 1 8 {} {0.583957843236 0.176779687329 0.216022526807} O12 53 0.0 1 1 {} {0.682873945552 0.173377693985 0.155754406405} H11 54 0.0 1 14 {} {0.348532917075 0.307533807651 0.564255680276} Si32 55 0.0 1 14 {} {0.348881932103 0.383483072064 0.939312976989} Si33 56 0.0 1 14 {} {0.598465135058 0.307677235235 0.693345741451} Si34 57 0.0 1 14 {} {0.59911882738 0.385423512883 0.812528584273} Si35 58 0.0 1 14 {} {0.349157001816 0.536407869373 0.951508741824} Si36 59 0.0 1 14 {} {0.598376453311 0.538377629997 0.825590498848} Si37 60 0.0 1 14 {} {0.348749047072 0.463217591256 0.563663661856} Si38 61 0.0 1 14 {} {0.344844155198 0.228325374352 0.942692464375} Si39 62 0.0 1 14 {} {0.599598449552 0.463534773585 0.692298015151} Si40 63 0.0 1 14 {} {0.594781972417 0.229122845532 0.814920455613} Si41 64 0.0 1 8 {} {0.861605018605 0.589790076379 0.0443705607744} O13 65 0.0 1 1 {} {0.761670319105 0.593775114754 0.104657347172} H12 66 0.0 1 8 {} {0.59337275252 0.593500224206 0.744367575788} O14 67 0.0 1 14 {} {0.59919247813 0.657672394427 0.743517792909} Si42 68 0.0 1 8 {} {0.833955554802 0.17679761927 0.0409748453226} O15 69 0.0 1 1 {} {0.432826567553 0.173340102496 0.101312317511} H13 70 0.0 1 8 {} {0.583955774102 0.178137028154 0.714897254636} O16 71 0.0 1 1 {} {0.683256729447 0.174822386137 0.654757227638} H14 72 0.0 1 7 {} {0.458793974309 0.682601643284 0.638878390046} N 73 0.0 1 1 {} {0.451398182005 0.723781293181 0.64235034531} H16 74 0.0 1 9 {} {0.800289358435 0.673692999319 0.719787454236} F4 75 0.0 1 9 {} {0.377462768149 0.680497925384 0.392823970328} F5 76 0.0 1 9 {} {0.560458539348 0.67989281814 0.878933165517} F3 77 0.0 1 9 {} {0.129520132091 0.668131814226 0.541578779056} F1 78 0.0 1 9 {} {0.443450345225 0.792246721016 0.651527276305} F2 79 0.0 1 9 {} {0.575584590425 0.784321637099 0.534608487865} 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