Mercurial > repos > muon-spectroscopy-computational-project > pm_asephonons
comparison test-data/Si.cell @ 0:4bc5e66259ca draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Thu, 25 Aug 2022 16:17:41 +0000 |
| parents | |
| children |
comparison
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| -1:000000000000 | 0:4bc5e66259ca |
|---|---|
| 1 # CELL file written 11:25:56 (GMT+1.0) 6th September 2021 from run Si | |
| 2 | |
| 3 %BLOCK lattice_cart | |
| 4 ANG | |
| 5 5.47545112629462 0.496819156878786E-35 0.110608096941637E-35 | |
| 6 0.496819156878786E-35 5.47545112629462 -0.312695835139248E-35 | |
| 7 0.110608096941637E-35 -0.312695835139248E-35 5.47545112629462 | |
| 8 %ENDBLOCK lattice_cart | |
| 9 | |
| 10 %BLOCK cell_constraints | |
| 11 1 1 1 | |
| 12 0 0 0 | |
| 13 %ENDBLOCK cell_constraints | |
| 14 | |
| 15 %BLOCK positions_frac | |
| 16 Si 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 17 Si 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 18 Si 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 19 Si 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 20 Si 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 21 Si 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 22 Si 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 23 Si 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 24 %ENDBLOCK positions_frac | |
| 25 | |
| 26 FIX_ALL_IONS : true | |
| 27 | |
| 28 FIX_COM : true | |
| 29 | |
| 30 %BLOCK species_pot | |
| 31 Si 3|1.8|5|6|7|30:31:32 | |
| 32 %ENDBLOCK species_pot | |
| 33 | |
| 34 SYMMETRY_TOL : 0.001000 | |
| 35 | |
| 36 %BLOCK symmetry_ops | |
| 37 # Symm. op. 1 E | |
| 38 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 39 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 40 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 41 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 42 # Symm. op. 2 2 | |
| 43 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 44 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 45 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 46 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 47 # Symm. op. 3 2 | |
| 48 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 49 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 50 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 51 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 52 # Symm. op. 4 2 | |
| 53 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 54 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 55 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 56 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 57 # Symm. op. 5 -4 | |
| 58 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 59 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 60 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 61 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 62 # Symm. op. 6 -4 | |
| 63 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 64 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 65 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 66 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 67 # Symm. op. 7 3 | |
| 68 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 69 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 70 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 71 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 72 # Symm. op. 8 3 | |
| 73 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 74 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 75 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 76 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 77 # Symm. op. 9 3 | |
| 78 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 79 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 80 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 81 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 82 # Symm. op. 10 3 | |
| 83 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 84 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 85 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 86 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 87 # Symm. op. 11 m | |
| 88 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 89 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 90 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 91 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 92 # Symm. op. 12 m | |
| 93 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 94 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 95 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 96 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 97 # Symm. op. 13 m | |
| 98 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 99 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 100 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 101 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 102 # Symm. op. 14 m | |
| 103 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 104 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 105 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 106 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 107 # Symm. op. 15 3 | |
| 108 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 109 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 110 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 111 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 112 # Symm. op. 16 m | |
| 113 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 114 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 115 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 116 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 117 # Symm. op. 17 m | |
| 118 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 119 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 120 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 121 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 122 # Symm. op. 18 -4 | |
| 123 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 124 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 125 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 126 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 127 # Symm. op. 19 -4 | |
| 128 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 129 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 130 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 131 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 132 # Symm. op. 20 -4 | |
| 133 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 134 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 135 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 136 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 137 # Symm. op. 21 -4 | |
| 138 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 139 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 140 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 141 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 142 # Symm. op. 22 3 | |
| 143 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 144 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 145 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 146 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 147 # Symm. op. 23 3 | |
| 148 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 149 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 150 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 151 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 152 # Symm. op. 24 3 | |
| 153 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 154 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 155 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 156 0.000000000000000 0.000000000000000 0.000000000000000 | |
| 157 # Symm. op. 25 d | |
| 158 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 159 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 160 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 161 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 162 # Symm. op. 26 I | |
| 163 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 164 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 165 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 166 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 167 # Symm. op. 27 d | |
| 168 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 169 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 170 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 171 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 172 # Symm. op. 28 d | |
| 173 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 174 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 175 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 176 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 177 # Symm. op. 29 2 | |
| 178 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 179 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 180 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 181 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 182 # Symm. op. 30 4_1 | |
| 183 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 184 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 185 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 186 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 187 # Symm. op. 31 4_1 | |
| 188 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 189 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 190 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 191 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 192 # Symm. op. 32 4_1 | |
| 193 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 194 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 195 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 196 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 197 # Symm. op. 33 4_1 | |
| 198 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 199 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 200 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 201 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 202 # Symm. op. 34 -3 | |
| 203 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 204 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 205 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 206 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 207 # Symm. op. 35 -3 | |
| 208 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 209 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 210 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 211 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 212 # Symm. op. 36 -3 | |
| 213 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 214 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 215 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 216 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 217 # Symm. op. 37 -3 | |
| 218 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 219 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 220 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 221 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 222 # Symm. op. 38 2_1 | |
| 223 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 224 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 225 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 226 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 227 # Symm. op. 39 2_1 | |
| 228 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 229 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 230 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 231 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 232 # Symm. op. 40 4_1 | |
| 233 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 234 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 235 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 236 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 237 # Symm. op. 41 4_1 | |
| 238 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 239 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 240 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 241 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 242 # Symm. op. 42 -3 | |
| 243 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 244 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 245 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 246 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 247 # Symm. op. 43 -3 | |
| 248 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 249 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 250 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 251 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 252 # Symm. op. 44 -3 | |
| 253 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 254 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 255 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 256 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 257 # Symm. op. 45 -3 | |
| 258 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 259 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 260 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 261 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 262 # Symm. op. 46 2 | |
| 263 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 264 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 265 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 266 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 267 # Symm. op. 47 2_1 | |
| 268 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 269 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 270 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 271 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 272 # Symm. op. 48 2 | |
| 273 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 274 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 275 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 276 0.250000000000000 0.250000000000000 0.250000000000000 | |
| 277 # Symm. op. 49 E | |
| 278 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 279 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 280 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 281 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 282 # Symm. op. 50 E | |
| 283 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 284 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 285 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 286 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 287 # Symm. op. 51 E | |
| 288 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 289 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 290 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 291 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 292 # Symm. op. 52 2_1 | |
| 293 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 294 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 295 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 296 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 297 # Symm. op. 53 2_1 | |
| 298 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 299 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 300 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 301 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 302 # Symm. op. 54 2 | |
| 303 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 304 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 305 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 306 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 307 # Symm. op. 55 2 | |
| 308 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 309 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 310 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 311 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 312 # Symm. op. 56 2_1 | |
| 313 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 314 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 315 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 316 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 317 # Symm. op. 57 2_1 | |
| 318 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 319 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 320 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 321 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 322 # Symm. op. 58 2_1 | |
| 323 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 324 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 325 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 326 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 327 # Symm. op. 59 2 | |
| 328 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 329 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 330 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 331 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 332 # Symm. op. 60 2_1 | |
| 333 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 334 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 335 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 336 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 337 # Symm. op. 61 -4 | |
| 338 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 339 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 340 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 341 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 342 # Symm. op. 62 -4 | |
| 343 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 344 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 345 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 346 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 347 # Symm. op. 63 3_1 | |
| 348 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 349 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 350 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 351 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 352 # Symm. op. 64 3_1 | |
| 353 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 354 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 355 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 356 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 357 # Symm. op. 65 3_1 | |
| 358 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 359 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 360 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 361 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 362 # Symm. op. 66 3 | |
| 363 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 364 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 365 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 366 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 367 # Symm. op. 67 m | |
| 368 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 369 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 370 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 371 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 372 # Symm. op. 68 m | |
| 373 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 374 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 375 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 376 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 377 # Symm. op. 69 3 | |
| 378 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 379 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 380 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 381 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 382 # Symm. op. 70 3_1 | |
| 383 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 384 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 385 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 386 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 387 # Symm. op. 71 m | |
| 388 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 389 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 390 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 391 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 392 # Symm. op. 72 m | |
| 393 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 394 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 395 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 396 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 397 # Symm. op. 73 -4 | |
| 398 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 399 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 400 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 401 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 402 # Symm. op. 74 3 | |
| 403 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 404 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 405 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 406 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 407 # Symm. op. 75 3 | |
| 408 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 409 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 410 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 411 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 412 # Symm. op. 76 3 | |
| 413 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 414 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 415 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 416 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 417 # Symm. op. 77 3_1 | |
| 418 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 419 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 420 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 421 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 422 # Symm. op. 78 m | |
| 423 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 424 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 425 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 426 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 427 # Symm. op. 79 m | |
| 428 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 429 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 430 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 431 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 432 # Symm. op. 80 n | |
| 433 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 434 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 435 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 436 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 437 # Symm. op. 81 -4 | |
| 438 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 439 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 440 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 441 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 442 # Symm. op. 82 -4 | |
| 443 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 444 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 445 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 446 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 447 # Symm. op. 83 -4 | |
| 448 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 449 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 450 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 451 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 452 # Symm. op. 84 -4 | |
| 453 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 454 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 455 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 456 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 457 # Symm. op. 85 3_1 | |
| 458 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 459 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 460 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 461 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 462 # Symm. op. 86 3 | |
| 463 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 464 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 465 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 466 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 467 # Symm. op. 87 3 | |
| 468 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 469 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 470 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 471 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 472 # Symm. op. 88 3 | |
| 473 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 474 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 475 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 476 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 477 # Symm. op. 89 m | |
| 478 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 479 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 480 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 481 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 482 # Symm. op. 90 -4 | |
| 483 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 484 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 485 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 486 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 487 # Symm. op. 91 -4 | |
| 488 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 489 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 490 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 491 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 492 # Symm. op. 92 3_1 | |
| 493 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 494 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 495 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 496 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 497 # Symm. op. 93 3_1 | |
| 498 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 499 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 500 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 501 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 502 # Symm. op. 94 3 | |
| 503 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 504 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 505 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 506 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 507 # Symm. op. 95 3 | |
| 508 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 509 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 510 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 511 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 512 # Symm. op. 96 m | |
| 513 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 514 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 515 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 516 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 517 # Symm. op. 97 m | |
| 518 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 519 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 520 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 521 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 522 # Symm. op. 98 -4 | |
| 523 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 524 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 525 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 526 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 527 # Symm. op. 99 -4 | |
| 528 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 529 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 530 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 531 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 532 # Symm. op. 100 3_1 | |
| 533 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 534 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 535 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 536 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 537 # Symm. op. 101 3_1 | |
| 538 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 539 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 540 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 541 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 542 # Symm. op. 102 3 | |
| 543 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 544 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 545 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 546 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 547 # Symm. op. 103 3_1 | |
| 548 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 549 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 550 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 551 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 552 # Symm. op. 104 n | |
| 553 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 554 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 555 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 556 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 557 # Symm. op. 105 m | |
| 558 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 559 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 560 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 561 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 562 # Symm. op. 106 m | |
| 563 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 564 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 565 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 566 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 567 # Symm. op. 107 m | |
| 568 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 569 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 570 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 571 0.500000000000000 0.000000000000000 0.500000000000000 | |
| 572 # Symm. op. 108 n | |
| 573 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 574 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 575 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 576 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 577 # Symm. op. 109 m | |
| 578 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 579 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 580 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 581 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 582 # Symm. op. 110 3_1 | |
| 583 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 584 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 585 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 586 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 587 # Symm. op. 111 3 | |
| 588 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 589 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 590 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 591 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 592 # Symm. op. 112 -4 | |
| 593 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 594 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 595 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 596 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 597 # Symm. op. 113 -4 | |
| 598 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 599 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 600 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 601 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 602 # Symm. op. 114 -4 | |
| 603 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 604 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 605 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 606 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 607 # Symm. op. 115 -4 | |
| 608 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 609 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 610 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 611 0.000000000000000 0.500000000000000 0.500000000000000 | |
| 612 # Symm. op. 116 m | |
| 613 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 614 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 615 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 616 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 617 # Symm. op. 117 m | |
| 618 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 619 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 620 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 621 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 622 # Symm. op. 118 -4 | |
| 623 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 624 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 625 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 626 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 627 # Symm. op. 119 -4 | |
| 628 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 629 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 630 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 631 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 632 # Symm. op. 120 -4 | |
| 633 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 634 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 635 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 636 0.500000000000000 0.500000000000000 0.000000000000000 | |
| 637 # Symm. op. 121 I | |
| 638 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 639 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 640 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 641 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 642 # Symm. op. 122 m? | |
| 643 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 644 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 645 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 646 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 647 # Symm. op. 123 m? | |
| 648 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 649 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 650 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 651 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 652 # Symm. op. 124 m? | |
| 653 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 654 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 655 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 656 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 657 # Symm. op. 125 m? | |
| 658 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 659 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 660 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 661 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 662 # Symm. op. 126 I | |
| 663 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 664 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 665 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 666 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 667 # Symm. op. 127 m? | |
| 668 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 669 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 670 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 671 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 672 # Symm. op. 128 I | |
| 673 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 674 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 675 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 676 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 677 # Symm. op. 129 m? | |
| 678 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 679 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 680 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 681 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 682 # Symm. op. 130 m? | |
| 683 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 684 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 685 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 686 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 687 # Symm. op. 131 m? | |
| 688 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 689 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 690 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 691 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 692 # Symm. op. 132 m? | |
| 693 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 694 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 695 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 696 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 697 # Symm. op. 133 4_1 | |
| 698 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 699 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 700 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 701 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 702 # Symm. op. 134 4_2 | |
| 703 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 704 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 705 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 706 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 707 # Symm. op. 135 -3 | |
| 708 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 709 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 710 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 711 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 712 # Symm. op. 136 -3 | |
| 713 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 714 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 715 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 716 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 717 # Symm. op. 137 -3 | |
| 718 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 719 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 720 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 721 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 722 # Symm. op. 138 -3 | |
| 723 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 724 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 725 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 726 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 727 # Symm. op. 139 2 | |
| 728 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 729 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 730 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 731 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 732 # Symm. op. 140 2_1 | |
| 733 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 734 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 735 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 736 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 737 # Symm. op. 141 2_1 | |
| 738 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 739 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 740 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 741 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 742 # Symm. op. 142 4_2 | |
| 743 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 744 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 745 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 746 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 747 # Symm. op. 143 4_2 | |
| 748 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 749 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 750 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 751 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 752 # Symm. op. 144 4_2 | |
| 753 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 754 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 755 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 756 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 757 # Symm. op. 145 4_1 | |
| 758 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 759 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 760 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 761 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 762 # Symm. op. 146 -3 | |
| 763 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 764 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 765 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 766 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 767 # Symm. op. 147 -3 | |
| 768 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 769 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 770 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 771 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 772 # Symm. op. 148 2 | |
| 773 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 774 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 775 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 776 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 777 # Symm. op. 149 2_1 | |
| 778 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 779 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 780 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 781 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 782 # Symm. op. 150 4_2 | |
| 783 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 784 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 785 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 786 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 787 # Symm. op. 151 4_1 | |
| 788 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 789 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 790 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 791 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 792 # Symm. op. 152 -3 | |
| 793 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 794 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 795 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 796 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 797 # Symm. op. 153 -3 | |
| 798 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 799 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 800 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 801 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 802 # Symm. op. 154 -3 | |
| 803 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 804 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 805 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 806 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 807 # Symm. op. 155 -3 | |
| 808 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 809 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 810 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 811 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 812 # Symm. op. 156 2_1 | |
| 813 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 814 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 815 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 816 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 817 # Symm. op. 157 2_1 | |
| 818 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 819 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 820 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 821 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 822 # Symm. op. 158 2_1 | |
| 823 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 824 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 825 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 826 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 827 # Symm. op. 159 4_2 | |
| 828 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 829 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 830 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 831 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 832 # Symm. op. 160 4_1 | |
| 833 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 834 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 835 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 836 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 837 # Symm. op. 161 4_1 | |
| 838 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 839 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 840 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 841 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 842 # Symm. op. 162 4_2 | |
| 843 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 844 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 845 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 846 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 847 # Symm. op. 163 -3 | |
| 848 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 849 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 850 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 851 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 852 # Symm. op. 164 -3 | |
| 853 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 854 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 855 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 856 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 857 # Symm. op. 165 -3 | |
| 858 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 859 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 860 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 861 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 862 # Symm. op. 166 -3 | |
| 863 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 864 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 865 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 866 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 867 # Symm. op. 167 2_1 | |
| 868 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 869 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 870 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 871 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 872 # Symm. op. 168 4_1 | |
| 873 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 874 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 875 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 876 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 877 # Symm. op. 169 4_2 | |
| 878 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 879 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 880 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 881 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 882 # Symm. op. 170 4_2 | |
| 883 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 884 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 885 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 886 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 887 # Symm. op. 171 4_2 | |
| 888 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 889 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 890 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 891 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 892 # Symm. op. 172 -3 | |
| 893 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 894 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 895 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 896 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 897 # Symm. op. 173 -3 | |
| 898 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 899 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 900 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 901 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 902 # Symm. op. 174 -3 | |
| 903 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 904 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 905 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 906 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 907 # Symm. op. 175 -3 | |
| 908 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 909 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 910 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 911 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 912 # Symm. op. 176 2_1 | |
| 913 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 914 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 915 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 916 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 917 # Symm. op. 177 2_1 | |
| 918 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 919 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 920 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 921 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 922 # Symm. op. 178 4_2 | |
| 923 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 924 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 925 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 926 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 927 # Symm. op. 179 -3 | |
| 928 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 929 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 930 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 931 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 932 # Symm. op. 180 -3 | |
| 933 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 934 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 935 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 936 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 937 # Symm. op. 181 -3 | |
| 938 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 939 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 940 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 941 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 942 # Symm. op. 182 -3 | |
| 943 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 944 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 945 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 946 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 947 # Symm. op. 183 2_1 | |
| 948 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 949 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 950 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 951 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 952 # Symm. op. 184 2_1 | |
| 953 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 954 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 955 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 956 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 957 # Symm. op. 185 2 | |
| 958 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 959 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 960 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 961 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 962 # Symm. op. 186 2_1 | |
| 963 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 964 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 965 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 966 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 967 # Symm. op. 187 2_1 | |
| 968 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 969 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 970 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 971 0.750000000000000 0.750000000000000 0.250000000000000 | |
| 972 # Symm. op. 188 -3 | |
| 973 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 974 -1.000000000000000 0.000000000000000 0.000000000000000 | |
| 975 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 976 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 977 # Symm. op. 189 2_1 | |
| 978 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 979 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 980 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 981 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 982 # Symm. op. 190 2_1 | |
| 983 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 984 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 985 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 986 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 987 # Symm. op. 191 -3 | |
| 988 0.000000000000000 1.000000000000000 0.000000000000000 | |
| 989 0.000000000000000 0.000000000000000 -1.000000000000000 | |
| 990 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 991 0.750000000000000 0.250000000000000 0.750000000000000 | |
| 992 # Symm. op. 192 4_2 | |
| 993 0.000000000000000 -1.000000000000000 0.000000000000000 | |
| 994 1.000000000000000 0.000000000000000 0.000000000000000 | |
| 995 0.000000000000000 0.000000000000000 1.000000000000000 | |
| 996 0.250000000000000 0.750000000000000 0.750000000000000 | |
| 997 %ENDBLOCK symmetry_ops | |
| 998 | |
| 999 kpoint_mp_grid : 2 2 2 | |
| 1000 |