#MD System 2.0 @Title neb0_image03 @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 {} {0.848349564887 0.307136437511 0.0630159907076} Si1 1 0.0 1 14 {} {0.848713754581 0.385139361124 0.444549457292} Si2 2 0.0 1 14 {} {0.0983071374216 0.307016651998 0.192873162051} Si3 3 0.0 1 14 {} {0.0984881407269 0.383133151434 0.317913119882} Si4 4 0.0 1 14 {} {0.85574332682 0.541363881837 0.436516781094} Si5 5 0.0 1 14 {} {0.103939414572 0.537505728933 0.307775848141} Si6 6 0.0 1 14 {} {0.8487936192 0.458346511906 0.0655367484998} Si7 7 0.0 1 14 {} {0.844944586234 0.229324221531 0.442120628212} Si8 8 0.0 1 14 {} {0.099530521838 0.458329194204 0.192832491819} Si9 9 0.0 1 14 {} {0.0948093226165 0.228578534731 0.313977211553} Si10 10 0.0 1 8 {} {0.358596937917 0.593875774178 0.519538501597} O1 11 0.0 1 14 {} {0.331009943935 0.657674350486 0.528544315423} Si11 12 0.0 1 8 {} {0.111827299425 0.589580748264 0.211446613732} O2 13 0.0 1 1 {} {0.0119865440391 0.593531594973 0.151085839624} H1 14 0.0 1 8 {} {0.333909336947 0.177826290838 0.541179263031} O3 15 0.0 1 1 {} {0.933089537719 0.174759569468 0.601595902146} H2 16 0.0 1 8 {} {0.0836350004492 0.176914363111 0.215913708329} O4 17 0.0 1 1 {} {0.182726458566 0.173347813752 0.155848386484} H3 18 0.0 1 14 {} {0.848790692527 0.307683338796 0.564600986951} Si12 19 0.0 1 14 {} {0.849082654889 0.383624456408 0.938966466514} Si13 20 0.0 1 14 {} {0.0986861330041 0.308106980679 0.69376530273} Si14 21 0.0 1 14 {} {0.0994572867622 0.386214323038 0.812642280815} Si15 22 0.0 1 14 {} {0.848778352961 0.537269710332 0.948890842074} Si16 23 0.0 1 14 {} {0.0993383235485 0.541683815934 0.823239704114} Si17 24 0.0 1 14 {} {0.850098873314 0.464033291358 0.561894604116} Si18 25 0.0 1 14 {} {0.845004363271 0.228524308748 0.942638558288} Si19 26 0.0 1 14 {} {0.0990657206077 0.465145119955 0.69302611693} Si20 27 0.0 1 14 {} {0.0950349405502 0.229401205128 0.814907981893} Si21 28 0.0 1 8 {} {0.362503108247 0.588735678014 0.0466104800293} O5 29 0.0 1 1 {} {0.262248965545 0.593601010577 0.106147129701} H4 30 0.0 1 8 {} {0.129021080743 0.599012181638 0.753779021009} O6 31 0.0 1 1 {} {0.034401567991 0.623557611786 0.731147119515} H5 32 0.0 1 8 {} {0.333742698099 0.176960681923 0.0411326173316} O7 33 0.0 1 1 {} {0.932905624226 0.173453064113 0.101225517776} H6 34 0.0 1 8 {} {0.0839372500978 0.178605285855 0.714463177552} O8 35 0.0 1 1 {} {0.183428406591 0.175031885543 0.65457441863} H7 36 0.0 1 14 {} {0.348378980632 0.307112233703 0.0630610068786} Si22 37 0.0 1 14 {} {0.349044169888 0.384970341435 0.444086159953} Si23 38 0.0 1 14 {} {0.598394494761 0.307145724385 0.192822935482} Si24 39 0.0 1 14 {} {0.599236051175 0.383167784505 0.317944985665} Si25 40 0.0 1 14 {} {0.354658041026 0.540719698323 0.434882493179} Si26 41 0.0 1 14 {} {0.605612738128 0.538586280934 0.309129575554} Si27 42 0.0 1 14 {} {0.350684682123 0.458304489782 0.0665828872886} Si28 43 0.0 1 14 {} {0.344928550931 0.229078336656 0.441963335524} Si29 44 0.0 1 14 {} {0.600539673396 0.458912592739 0.19476618016} Si30 45 0.0 1 14 {} {0.594979107371 0.228711714499 0.313964033018} Si31 46 0.0 1 8 {} {0.853074392924 0.594234973971 0.526058938833} O9 47 0.0 1 1 {} {0.944097795029 0.621537828462 0.522095156574} H8 48 0.0 1 8 {} {0.614306841471 0.589856165435 0.2110762847} O10 49 0.0 1 1 {} {0.513389203975 0.593905762923 0.151478654038} H9 50 0.0 1 8 {} {0.833776959997 0.1781223621 0.541482716057} O11 51 0.0 1 1 {} {0.433117084347 0.174432671127 0.601339859829} H10 52 0.0 1 8 {} {0.583936076729 0.177067153737 0.215851535815} O12 53 0.0 1 1 {} {0.682943778433 0.173492690794 0.155712566599} H11 54 0.0 1 14 {} {0.348445548122 0.307467638329 0.564490820068} Si32 55 0.0 1 14 {} {0.349571333114 0.383728758048 0.939478310674} Si33 56 0.0 1 14 {} {0.598576666082 0.307890348028 0.693413230598} Si34 57 0.0 1 14 {} {0.599252056907 0.385889131034 0.812285154161} Si35 58 0.0 1 14 {} {0.348429573169 0.536803815101 0.950533862618} Si36 59 0.0 1 14 {} {0.596970961388 0.540144293829 0.822879028656} Si37 60 0.0 1 14 {} {0.349605733509 0.46390751341 0.562572460627} Si38 61 0.0 1 14 {} {0.344949447545 0.228502836806 0.942751574532} Si39 62 0.0 1 14 {} {0.600089759898 0.464413177607 0.692480329973} Si40 63 0.0 1 14 {} {0.594925851623 0.22926106952 0.814898656242} Si41 64 0.0 1 8 {} {0.862010695246 0.589413995167 0.0445898778374} O13 65 0.0 1 1 {} {0.762287578986 0.593953876753 0.104972883384} H12 66 0.0 1 8 {} {0.594384954513 0.594841082912 0.742677630459} O14 67 0.0 1 14 {} {0.598529947202 0.659471476344 0.743013787449} Si42 68 0.0 1 8 {} {0.833892073019 0.177002080675 0.0410678182926} O15 69 0.0 1 1 {} {0.432832984108 0.17343424967 0.101218086874} H13 70 0.0 1 8 {} {0.583799022857 0.178374624077 0.714671163724} O16 71 0.0 1 1 {} {0.683226716524 0.17493235688 0.654667517946} H14 72 0.0 1 7 {} {0.452865717216 0.683394296488 0.641746007535} N 73 0.0 1 1 {} {0.447845146962 0.726404888703 0.645271112712} H16 74 0.0 1 9 {} {0.800497227831 0.67480989466 0.721288433414} F4 75 0.0 1 9 {} {0.362686532595 0.678821921679 0.392173616707} F5 76 0.0 1 9 {} {0.558045710314 0.68048670677 0.879193411814} F3 77 0.0 1 9 {} {0.124682472578 0.66838439919 0.552691664994} F1 78 0.0 1 9 {} {0.445268385748 0.78455015953 0.649513855638} F2 79 0.0 1 9 {} {0.57334546287 0.764762791344 0.51949544435} 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