#MD System 2.0 @Title neb0_image06 @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 {} {0.848918001127 0.307552895942 0.062845802059} Si1 1 0.0 1 14 {} {0.84946885737 0.385266020969 0.44439377933} Si2 2 0.0 1 14 {} {0.0988061828392 0.30734830492 0.192531060083} Si3 3 0.0 1 14 {} {0.09907111442 0.383388417757 0.31775817204} Si4 4 0.0 1 14 {} {0.858218714513 0.541735276457 0.436729227136} Si5 5 0.0 1 14 {} {0.102924492944 0.537438836659 0.306337508775} Si6 6 0.0 1 14 {} {0.847555382956 0.458835532546 0.0662524886503} Si7 7 0.0 1 14 {} {0.845269548808 0.22965634813 0.442037140779} Si8 8 0.0 1 14 {} {0.0992456227868 0.458464913566 0.192207899025} Si9 9 0.0 1 14 {} {0.0951190608598 0.228913284814 0.313977987819} Si10 10 0.0 1 8 {} {0.340099508286 0.592043705403 0.5258216676} O1 11 0.0 1 14 {} {0.335984991655 0.656577636878 0.523230227156} Si11 12 0.0 1 8 {} {0.112707524761 0.589697129504 0.210150550201} O2 13 0.0 1 1 {} {0.0125350224687 0.593900857104 0.14999025316} H1 14 0.0 1 8 {} {0.334253136408 0.177941742769 0.540746877264} O3 15 0.0 1 1 {} {0.933293783207 0.175066519085 0.601337082003} H2 16 0.0 1 8 {} {0.0840229139739 0.17720678897 0.215976724578} O4 17 0.0 1 1 {} {0.183019255727 0.173675002777 0.155836264356} H3 18 0.0 1 14 {} {0.849321613667 0.307986210239 0.564903023947} Si12 19 0.0 1 14 {} {0.849291552833 0.384193761442 0.938940546379} Si13 20 0.0 1 14 {} {0.099068238454 0.308880511256 0.694127042466} Si14 21 0.0 1 14 {} {0.100109906853 0.387303280171 0.812773936601} Si15 22 0.0 1 14 {} {0.851590747282 0.537140247211 0.949302041007} Si16 23 0.0 1 14 {} {0.100840448185 0.538907827673 0.825436313294} Si17 24 0.0 1 14 {} {0.850932153149 0.46420131259 0.5612414608} Si18 25 0.0 1 14 {} {0.8452851648 0.228890067016 0.942506201231} Si19 26 0.0 1 14 {} {0.10033982688 0.465602418596 0.691102146457} Si20 27 0.0 1 14 {} {0.0953996371999 0.229962748414 0.81505343685} Si21 28 0.0 1 8 {} {0.362817183663 0.589388171532 0.0466560723677} O5 29 0.0 1 1 {} {0.262527236478 0.593787884141 0.10663864476} H4 30 0.0 1 8 {} {0.11608101511 0.601501209544 0.768824689865} O6 31 0.0 1 1 {} {0.0697123102813 0.627792921576 0.713172996746} H5 32 0.0 1 8 {} {0.334213798364 0.177369688642 0.0410805006691} O7 33 0.0 1 1 {} {0.933243395924 0.173833742801 0.101172621388} H6 34 0.0 1 8 {} {0.0844170468205 0.179281550945 0.714240454283} O8 35 0.0 1 1 {} {0.183858869977 0.175597614007 0.654362706777} H7 36 0.0 1 14 {} {0.3489160823 0.307563063366 0.0629633783283} Si22 37 0.0 1 14 {} {0.349685326976 0.384713696752 0.443654943795} Si23 38 0.0 1 14 {} {0.598981336357 0.307700232909 0.192455942493} Si24 39 0.0 1 14 {} {0.599933006415 0.383813220882 0.317817248048} Si25 40 0.0 1 14 {} {0.351545725948 0.538652212959 0.432873117016} Si26 41 0.0 1 14 {} {0.606298438022 0.5405518104 0.311709494922} Si27 42 0.0 1 14 {} {0.352459122469 0.458622911527 0.0679189775131} Si28 43 0.0 1 14 {} {0.345077436989 0.229353979887 0.441904135958} Si29 44 0.0 1 14 {} {0.601128576956 0.460422174759 0.197757364533} Si30 45 0.0 1 14 {} {0.595212624717 0.229211052609 0.314062938024} Si31 46 0.0 1 8 {} {0.861466208875 0.593236813502 0.532825675169} O9 47 0.0 1 1 {} {0.949139716958 0.621395275926 0.529463398396} H8 48 0.0 1 8 {} {0.616249457336 0.590585890949 0.209230090756} O10 49 0.0 1 1 {} {0.514090065817 0.594647611751 0.150382977895} H9 50 0.0 1 8 {} {0.8340805072 0.178344727652 0.541145808854} O11 51 0.0 1 1 {} {0.433293477147 0.174610570981 0.601025591851} H10 52 0.0 1 8 {} {0.584396934016 0.177559820675 0.215881694937} O12 53 0.0 1 1 {} {0.683360708064 0.173990335573 0.155710940472} H11 54 0.0 1 14 {} {0.348594642299 0.307636414493 0.564813512218} Si32 55 0.0 1 14 {} {0.35045771276 0.38427647678 0.939427504015} Si33 56 0.0 1 14 {} {0.598896094076 0.308284870523 0.693279192849} Si34 57 0.0 1 14 {} {0.599797286439 0.386319934125 0.812211859942} Si35 58 0.0 1 14 {} {0.351521329697 0.536814191137 0.951371744389} Si36 59 0.0 1 14 {} {0.599570291483 0.540260737063 0.822253889528} Si37 60 0.0 1 14 {} {0.350694329464 0.463093914428 0.561946902904} Si38 61 0.0 1 14 {} {0.345350844488 0.228903123317 0.942654904374} Si39 62 0.0 1 14 {} {0.600843448067 0.464590060875 0.691007760874} Si40 63 0.0 1 14 {} {0.595256522005 0.229644080917 0.814920480014} Si41 64 0.0 1 8 {} {0.862171981346 0.589960910319 0.0440428014643} O13 65 0.0 1 1 {} {0.762970442062 0.59384117443 0.105153774982} H12 66 0.0 1 8 {} {0.592927758728 0.596496149757 0.741920230472} O14 67 0.0 1 14 {} {0.602832015567 0.660000038839 0.744320227907} Si42 68 0.0 1 8 {} {0.834300088832 0.177369081264 0.0409643869651} O15 69 0.0 1 1 {} {0.433249677695 0.173878504226 0.101204445719} H13 70 0.0 1 8 {} {0.584183320476 0.178811894523 0.714539835732} O16 71 0.0 1 1 {} {0.683517851994 0.175364598272 0.654476263404} H14 72 0.0 1 7 {} {0.46029083058 0.687018968855 0.635842422951} N 73 0.0 1 1 {} {0.443253957724 0.749045043075 0.648246897654} H16 74 0.0 1 9 {} {0.797241956445 0.677914805873 0.720851827024} F4 75 0.0 1 9 {} {0.317614042029 0.680727278075 0.385504221094} F5 76 0.0 1 9 {} {0.546900877261 0.680706577847 0.876490525941} F3 77 0.0 1 9 {} {0.140430698716 0.665845431238 0.569863935196} F1 78 0.0 1 9 {} {0.434105790295 0.785150754978 0.661731477145} F2 79 0.0 1 9 {} {0.564190877641 0.711173511052 0.496731040397} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {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 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