#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 {} {0.848688014131 0.307373532013 0.0628794053412} Si1 1 0.0 1 14 {} {0.849199247352 0.385218116668 0.444446292663} Si2 2 0.0 1 14 {} {0.0985630249836 0.307217319265 0.192737345058} Si3 3 0.0 1 14 {} {0.0988973878709 0.383283028807 0.317825502103} Si4 4 0.0 1 14 {} {0.857233410598 0.541648364653 0.436691520731} Si5 5 0.0 1 14 {} {0.103096222191 0.537377717913 0.306638770589} Si6 6 0.0 1 14 {} {0.847882215251 0.458608861711 0.0659970544724} Si7 7 0.0 1 14 {} {0.845042784609 0.229487012711 0.442097652544} Si8 8 0.0 1 14 {} {0.0991637823022 0.458400413656 0.192435403508} Si9 9 0.0 1 14 {} {0.0949330168808 0.2287671049 0.313961203852} Si10 10 0.0 1 8 {} {0.34141218632 0.591748819792 0.525156773132} O1 11 0.0 1 14 {} {0.342072786814 0.65596717257 0.522976104413} Si11 12 0.0 1 8 {} {0.112474613586 0.589634813188 0.210561084766} O2 13 0.0 1 1 {} {0.0124226649548 0.593773411755 0.15052081766} H1 14 0.0 1 8 {} {0.334053455745 0.177882480446 0.540904572362} O3 15 0.0 1 1 {} {0.933141902382 0.174953039081 0.601476642861} H2 16 0.0 1 8 {} {0.0838559673081 0.177092591029 0.216008716377} O4 17 0.0 1 1 {} {0.182834668701 0.173550130235 0.155846263371} H3 18 0.0 1 14 {} {0.848981557434 0.30785724375 0.564686841964} Si12 19 0.0 1 14 {} {0.84927257429 0.383952134011 0.938947210479} Si13 20 0.0 1 14 {} {0.0987810178492 0.308588996487 0.694009864879} Si14 21 0.0 1 14 {} {0.0998572160943 0.386918924357 0.812635745985} Si15 22 0.0 1 14 {} {0.851430776652 0.537094047875 0.949659647308} Si16 23 0.0 1 14 {} {0.100580014707 0.540441450305 0.823252908144} Si17 24 0.0 1 14 {} {0.850689791852 0.464164429145 0.561506682616} Si18 25 0.0 1 14 {} {0.845045599754 0.228728060304 0.942626948962} Si19 26 0.0 1 14 {} {0.10007207794 0.465323836112 0.691552607893} Si20 27 0.0 1 14 {} {0.0951397187927 0.229732889758 0.815002565804} Si21 28 0.0 1 8 {} {0.362193967107 0.589200758769 0.0464940174771} O5 29 0.0 1 1 {} {0.262281951224 0.593687891058 0.106610937978} H4 30 0.0 1 8 {} {0.117657460344 0.597306589294 0.766495953035} O6 31 0.0 1 1 {} {0.0560997490348 0.628355472862 0.716667614345} H5 32 0.0 1 8 {} {0.334002889966 0.177201681446 0.0410707677905} O7 33 0.0 1 1 {} {0.933031782761 0.173693155739 0.101237250554} H6 34 0.0 1 8 {} {0.0842101605871 0.179015439948 0.714408117508} O8 35 0.0 1 1 {} {0.183616171432 0.175382594175 0.654463484823} H7 36 0.0 1 14 {} {0.348623178886 0.307371438972 0.062983408317} Si22 37 0.0 1 14 {} {0.349451202024 0.38471211174 0.443839072238} Si23 38 0.0 1 14 {} {0.598726419204 0.307462502028 0.19264599961} Si24 39 0.0 1 14 {} {0.599641472564 0.3835952077 0.317768678258} Si25 40 0.0 1 14 {} {0.352235920689 0.538863206604 0.43356394458} Si26 41 0.0 1 14 {} {0.605887952621 0.540048537181 0.310915401085} Si27 42 0.0 1 14 {} {0.351671552783 0.458421380011 0.0674164903067} Si28 43 0.0 1 14 {} {0.344919922615 0.229224334972 0.441996391478} Si29 44 0.0 1 14 {} {0.600857823902 0.459986657918 0.196755836602} Si30 45 0.0 1 14 {} {0.595013471997 0.228978444176 0.313967466732} Si31 46 0.0 1 8 {} {0.858110084599 0.593602420533 0.529399003298} O9 47 0.0 1 1 {} {0.947261079704 0.621311909215 0.52782682284} H8 48 0.0 1 8 {} {0.616022331807 0.590078098264 0.208958460667} O10 49 0.0 1 1 {} {0.513885132007 0.594329271332 0.150608096671} H9 50 0.0 1 8 {} {0.833924712998 0.178246054869 0.541275516227} O11 51 0.0 1 1 {} {0.43310556573 0.174552909851 0.601192466712} H10 52 0.0 1 8 {} {0.58419203353 0.177333111912 0.215891476082} O12 53 0.0 1 1 {} {0.683129594857 0.17378080639 0.155676542358} H11 54 0.0 1 14 {} {0.348426941203 0.307536914246 0.564604594988} Si32 55 0.0 1 14 {} {0.350069594068 0.384014316146 0.939352407027} Si33 56 0.0 1 14 {} {0.598655764548 0.308111238577 0.693350772288} Si34 57 0.0 1 14 {} {0.599624533539 0.386083857202 0.812230798766} Si35 58 0.0 1 14 {} {0.350874531932 0.53680590288 0.951514027052} Si36 59 0.0 1 14 {} {0.599019306837 0.54011304893 0.821994391919} Si37 60 0.0 1 14 {} {0.350357814957 0.463129348247 0.562104307278} Si38 61 0.0 1 14 {} {0.345073822073 0.228733084184 0.942746362204} Si39 62 0.0 1 14 {} {0.600595030413 0.464358652025 0.691402025178} Si40 63 0.0 1 14 {} {0.59500570712 0.229485645135 0.8149048562} Si41 64 0.0 1 8 {} {0.862009068941 0.589754677977 0.0440958717498} O13 65 0.0 1 1 {} {0.762774612303 0.593701299852 0.105149683322} H12 66 0.0 1 8 {} {0.593022807853 0.596011676025 0.742283291404} O14 67 0.0 1 14 {} {0.601504550828 0.660160135214 0.742593949188} Si42 68 0.0 1 8 {} {0.834123868337 0.177206741084 0.0409779417897} O15 69 0.0 1 1 {} {0.433028674559 0.173696933658 0.101216934903} H13 70 0.0 1 8 {} {0.584000370952 0.178648476568 0.714654503783} O16 71 0.0 1 1 {} {0.683317866992 0.175214507694 0.654559246065} H14 72 0.0 1 7 {} {0.463125024059 0.686550831382 0.633646919095} N 73 0.0 1 1 {} {0.447435704841 0.742330799336 0.64532889124} H16 74 0.0 1 9 {} {0.798561699019 0.676556886813 0.721296791613} F4 75 0.0 1 9 {} {0.334645021754 0.681391228057 0.387672361687} F5 76 0.0 1 9 {} {0.550376622584 0.680620918989 0.876066803494} F3 77 0.0 1 9 {} {0.143122450047 0.666584468237 0.562775924928} F1 78 0.0 1 9 {} {0.430649815477 0.789359643233 0.664378492173} F2 79 0.0 1 9 {} {0.562070195544 0.727745149562 0.510177812027} 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