element(s): ['Na'] AFLOW prototype label: A_oP8_62_2c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.0209', '0.70389836', '1.0667293', '0.90164155', '0.37575238', '0.90703605', '0.87397309'] model name: EAM_Dynamo_Mendelev_2015_Na__MO_094065024556_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Na', 'Na'] representative atom coordinates = [[0.90164155 0.25 0.37575238] [0.90703605 0.25 0.87397309]] spacegroup = 62 cell = [[7.0209, 0, 0], [0, 4.942, 0], [0, 0, 7.4894]] ========================================= Step Time Energy fmax BFGS: 0 17:18:39 -8.370964 0.481678 BFGS: 1 17:18:39 -8.374623 0.479155 BFGS: 2 17:18:39 -8.400561 0.460596 BFGS: 3 17:18:39 -8.425354 0.441809 BFGS: 4 17:18:39 -8.448992 0.423054 BFGS: 5 17:18:39 -8.471478 0.404580 BFGS: 6 17:18:39 -8.492832 0.386610 BFGS: 7 17:18:39 -8.513083 0.369324 BFGS: 8 17:18:39 -8.532268 0.352843 BFGS: 9 17:18:40 -8.550432 0.337213 BFGS: 10 17:18:40 -8.567619 0.322452 BFGS: 11 17:18:40 -8.583878 0.308562 BFGS: 12 17:18:40 -8.599255 0.295495 BFGS: 13 17:18:40 -8.613793 0.283158 BFGS: 14 17:18:40 -8.627534 0.271406 BFGS: 15 17:18:40 -8.640507 0.260033 BFGS: 16 17:18:40 -8.652731 0.248772 BFGS: 17 17:18:40 -8.664214 0.237360 BFGS: 18 17:18:40 -8.674951 0.225610 BFGS: 19 17:18:40 -8.684931 0.213357 BFGS: 20 17:18:40 -8.694136 0.200470 BFGS: 21 17:18:40 -8.702544 0.186851 BFGS: 22 17:18:40 -8.710131 0.172448 BFGS: 23 17:18:40 -8.716878 0.157255 BFGS: 24 17:18:40 -8.722767 0.141315 BFGS: 25 17:18:40 -8.727794 0.143925 BFGS: 26 17:18:40 -8.731972 0.155217 BFGS: 27 17:18:40 -8.735338 0.166222 BFGS: 28 17:18:40 -8.737972 0.176835 BFGS: 29 17:18:40 -8.740016 0.186899 BFGS: 30 17:18:40 -8.741725 0.196158 BFGS: 31 17:18:40 -8.743501 0.204224 BFGS: 32 17:18:40 -8.745794 0.210676 BFGS: 33 17:18:40 -8.748903 0.215234 BFGS: 34 17:18:40 -8.752959 0.217710 BFGS: 35 17:18:40 -8.758002 0.217912 BFGS: 36 17:18:40 -8.764027 0.215615 BFGS: 37 17:18:40 -8.771010 0.210548 BFGS: 38 17:18:40 -8.778914 0.202388 BFGS: 39 17:18:40 -8.787696 0.190725 BFGS: 40 17:18:40 -8.797131 0.175254 BFGS: 41 17:18:40 -8.805737 0.158293 BFGS: 42 17:18:40 -8.813532 0.140220 BFGS: 43 17:18:40 -8.820517 0.121246 BFGS: 44 17:18:40 -8.826673 0.101426 BFGS: 45 17:18:40 -8.831958 0.080819 BFGS: 46 17:18:40 -8.836297 0.059469 BFGS: 47 17:18:40 -8.839558 0.037294 BFGS: 48 17:18:40 -8.841458 0.018533 BFGS: 49 17:18:40 -8.841795 0.019978 BFGS: 50 17:18:40 -8.842001 0.018745 BFGS: 51 17:18:40 -8.842103 0.015722 BFGS: 52 17:18:40 -8.842185 0.014484 BFGS: 53 17:18:40 -8.842343 0.016046 BFGS: 54 17:18:40 -8.842631 0.018066 BFGS: 55 17:18:40 -8.842993 0.016127 BFGS: 56 17:18:40 -8.843211 0.010343 BFGS: 57 17:18:40 -8.843265 0.009478 BFGS: 58 17:18:40 -8.843275 0.010579 BFGS: 59 17:18:40 -8.843282 0.011032 BFGS: 60 17:18:40 -8.843303 0.011546 BFGS: 61 17:18:40 -8.843346 0.011427 BFGS: 62 17:18:40 -8.843425 0.009529 BFGS: 63 17:18:40 -8.843510 0.005413 BFGS: 64 17:18:40 -8.843552 0.001679 BFGS: 65 17:18:40 -8.843560 0.000583 BFGS: 66 17:18:40 -8.843560 0.000575 BFGS: 67 17:18:40 -8.843560 0.000621 BFGS: 68 17:18:40 -8.843560 0.000684 BFGS: 69 17:18:40 -8.843560 0.000778 BFGS: 70 17:18:40 -8.843561 0.000902 BFGS: 71 17:18:40 -8.843562 0.001018 BFGS: 72 17:18:40 -8.843563 0.000999 BFGS: 73 17:18:40 -8.843565 0.000686 BFGS: 74 17:18:40 -8.843566 0.000235 BFGS: 75 17:18:40 -8.843567 0.000099 BFGS: 76 17:18:40 -8.843567 0.000081 BFGS: 77 17:18:40 -8.843567 0.000082 BFGS: 78 17:18:40 -8.843567 0.000083 BFGS: 79 17:18:40 -8.843567 0.000080 BFGS: 80 17:18:40 -8.843567 0.000071 BFGS: 81 17:18:40 -8.843567 0.000049 BFGS: 82 17:18:40 -8.843567 0.000018 BFGS: 83 17:18:40 -8.843567 0.000008 BFGS: 84 17:18:40 -8.843567 0.000002 BFGS: 85 17:18:40 -8.843567 0.000000 BFGS: 86 17:18:40 -8.843567 0.000000 BFGS: 87 17:18:40 -8.843567 0.000000 BFGS: 88 17:18:40 -8.843567 0.000000 BFGS: 89 17:18:40 -8.843567 0.000000 BFGS: 90 17:18:40 -8.843567 0.000000 BFGS: 91 17:18:40 -8.843567 0.000000 BFGS: 92 17:18:40 -8.843567 0.000000 BFGS: 93 17:18:40 -8.843567 0.000000 BFGS: 94 17:18:40 -8.843567 0.000000 BFGS: 95 17:18:40 -8.843567 0.000000 BFGS: 96 17:18:40 -8.843567 0.000000 BFGS: 97 17:18:40 -8.843567 0.000000 BFGS: 98 17:18:40 -8.843567 0.000000 BFGS: 99 17:18:40 -8.843567 0.000000 BFGS: 100 17:18:40 -8.843567 0.000000 BFGS: 101 17:18:40 -8.843567 0.000000 BFGS: 102 17:18:40 -8.843567 0.000000 BFGS: 103 17:18:40 -8.843567 0.000000 BFGS: 104 17:18:40 -8.843567 0.000000 BFGS: 105 17:18:40 -8.843567 0.000000 BFGS: 106 17:18:40 -8.843567 0.000000 BFGS: 107 17:18:40 -8.843567 0.000000 BFGS: 108 17:18:40 -8.843567 0.000000 BFGS: 109 17:18:40 -8.843567 0.000000 BFGS: 110 17:18:40 -8.843567 0.000000 BFGS: 111 17:18:40 -8.843567 0.000000 BFGS: 112 17:18:40 -8.843567 0.000000 BFGS: 113 17:18:40 -8.843567 0.000000 BFGS: 114 17:18:40 -8.843567 0.000000 BFGS: 115 17:18:40 -8.843567 0.000000 BFGS: 116 17:18:40 -8.843567 0.000000 BFGS: 117 17:18:40 -8.843567 0.000000 BFGS: 118 17:18:40 -8.843567 0.000000 BFGS: 119 17:18:40 -8.843567 0.000000 BFGS: 120 17:18:40 -8.843567 0.000000 BFGS: 121 17:18:40 -8.843567 0.000000 BFGS: 122 17:18:40 -8.843567 0.000000 BFGS: 123 17:18:40 -8.843567 0.000000 BFGS: 124 17:18:40 -8.843567 0.000000 BFGS: 125 17:18:40 -8.843567 0.000000 BFGS: 126 17:18:40 -8.843567 0.000000 BFGS: 127 17:18:40 -8.843567 0.000000 BFGS: 128 17:18:40 -8.843567 0.000000 BFGS: 129 17:18:40 -8.843567 0.000000 BFGS: 130 17:18:40 -8.843567 0.000000 BFGS: 131 17:18:40 -8.843567 0.000000 BFGS: 132 17:18:40 -8.843567 0.000000 BFGS: 133 17:18:40 -8.843567 0.000000 BFGS: 134 17:18:40 -8.843567 0.000000 BFGS: 135 17:18:40 -8.843567 0.000000 BFGS: 136 17:18:40 -8.843567 0.000000 BFGS: 137 17:18:40 -8.843567 0.000000 BFGS: 138 17:18:40 -8.843567 0.000000 BFGS: 139 17:18:40 -8.843567 0.000000 BFGS: 140 17:18:40 -8.843567 0.000000 BFGS: 141 17:18:40 -8.843567 0.000000 BFGS: 142 17:18:40 -8.843567 0.000000 BFGS: 143 17:18:40 -8.843567 0.000000 BFGS: 144 17:18:40 -8.843567 0.000000 BFGS: 145 17:18:40 -8.843567 0.000000 BFGS: 146 17:18:40 -8.843567 0.000000 BFGS: 147 17:18:40 -8.843567 0.000000 BFGS: 148 17:18:40 -8.843567 0.000000 BFGS: 149 17:18:40 -8.843567 0.000000 BFGS: 150 17:18:40 -8.843567 0.000000 BFGS: 151 17:18:40 -8.843567 0.000000 BFGS: 152 17:18:40 -8.843567 0.000000 BFGS: 153 17:18:40 -8.843567 0.000000 BFGS: 154 17:18:40 -8.843567 0.000000 BFGS: 155 17:18:40 -8.843567 0.000000 BFGS: 156 17:18:41 -8.843567 0.000000 BFGS: 157 17:18:41 -8.843567 0.000000 BFGS: 158 17:18:41 -8.843567 0.000000 BFGS: 159 17:18:41 -8.843567 0.000000 BFGS: 160 17:18:41 -8.843567 0.000000 BFGS: 161 17:18:41 -8.843567 0.000000 BFGS: 162 17:18:41 -8.843567 0.000000 BFGS: 163 17:18:41 -8.843567 0.000000 BFGS: 164 17:18:41 -8.843567 0.000000 BFGS: 165 17:18:41 -8.843567 0.000000 BFGS: 166 17:18:41 -8.843567 0.000000 BFGS: 167 17:18:41 -8.843567 0.000000 BFGS: 168 17:18:41 -8.843567 0.000000 BFGS: 169 17:18:41 -8.843567 0.000000 BFGS: 170 17:18:41 -8.843567 0.000000 BFGS: 171 17:18:41 -8.843567 0.000000 BFGS: 172 17:18:41 -8.843567 0.000000 BFGS: 173 17:18:41 -8.843567 0.000000 BFGS: 174 17:18:41 -8.843567 0.000000 BFGS: 175 17:18:41 -8.843567 0.000000 BFGS: 176 17:18:41 -8.843567 0.000000 BFGS: 177 17:18:41 -8.843567 0.000000 BFGS: 178 17:18:41 -8.843567 0.000000 BFGS: 179 17:18:41 -8.843567 0.000000 BFGS: 180 17:18:41 -8.843567 0.000000 BFGS: 181 17:18:41 -8.843567 0.000000 BFGS: 182 17:18:41 -8.843567 0.000000 BFGS: 183 17:18:41 -8.843567 0.000000 BFGS: 184 17:18:41 -8.843567 0.000000 BFGS: 185 17:18:41 -8.843567 0.000000 BFGS: 186 17:18:41 -8.843567 0.000000 BFGS: 187 17:18:41 -8.843567 0.000000 BFGS: 188 17:18:41 -8.843567 0.000000 BFGS: 189 17:18:41 -8.843567 0.000000 BFGS: 190 17:18:41 -8.843567 0.000000 BFGS: 191 17:18:41 -8.843567 0.000000 BFGS: 192 17:18:41 -8.843567 0.000000 BFGS: 193 17:18:41 -8.843567 0.000000 BFGS: 194 17:18:41 -8.843567 0.000000 BFGS: 195 17:18:41 -8.843567 0.000000 BFGS: 196 17:18:41 -8.843567 0.000000 BFGS: 197 17:18:41 -8.843567 0.000000 BFGS: 198 17:18:41 -8.843567 0.000000 BFGS: 199 17:18:41 -8.843567 0.000000 BFGS: 200 17:18:41 -8.843567 0.000000 BFGS: 201 17:18:41 -8.843567 0.000000 BFGS: 202 17:18:41 -8.843567 0.000000 BFGS: 203 17:18:41 -8.843567 0.000000 BFGS: 204 17:18:41 -8.843567 0.000000 BFGS: 205 17:18:41 -8.843567 0.000000 BFGS: 206 17:18:41 -8.843567 0.000000 BFGS: 207 17:18:41 -8.843567 0.000000 BFGS: 208 17:18:41 -8.843567 0.000000 BFGS: 209 17:18:41 -8.843567 0.000000 BFGS: 210 17:18:41 -8.843567 0.000000 BFGS: 211 17:18:41 -8.843567 0.000000 BFGS: 212 17:18:41 -8.843567 0.000000 BFGS: 213 17:18:41 -8.843567 0.000000 BFGS: 214 17:18:41 -8.843567 0.000000 BFGS: 215 17:18:41 -8.843567 0.000000 BFGS: 216 17:18:41 -8.843567 0.000000 BFGS: 217 17:18:41 -8.843567 0.000000 BFGS: 218 17:18:41 -8.843567 0.000000 BFGS: 219 17:18:41 -8.843567 0.000000 BFGS: 220 17:18:41 -8.843567 0.000000 BFGS: 221 17:18:41 -8.843567 0.000000 BFGS: 222 17:18:41 -8.843567 0.000000 BFGS: 223 17:18:41 -8.843567 0.000000 BFGS: 224 17:18:41 -8.843567 0.000000 BFGS: 225 17:18:41 -8.843567 0.000000 BFGS: 226 17:18:41 -8.843567 0.000000 BFGS: 227 17:18:41 -8.843567 0.000000 BFGS: 228 17:18:41 -8.843567 0.000000 BFGS: 229 17:18:41 -8.843567 0.000000 BFGS: 230 17:18:41 -8.843567 0.000000 BFGS: 231 17:18:41 -8.843567 0.000000 BFGS: 232 17:18:41 -8.843567 0.000000 BFGS: 233 17:18:41 -8.843567 0.000000 BFGS: 234 17:18:41 -8.843567 0.000000 BFGS: 235 17:18:41 -8.843567 0.000000 BFGS: 236 17:18:41 -8.843567 0.000000 BFGS: 237 17:18:41 -8.843567 0.000000 BFGS: 238 17:18:41 -8.843567 0.000000 BFGS: 239 17:18:41 -8.843567 0.000000 BFGS: 240 17:18:41 -8.843567 0.000000 BFGS: 241 17:18:41 -8.843567 0.000000 BFGS: 242 17:18:41 -8.843567 0.000000 BFGS: 243 17:18:41 -8.843567 0.000000 BFGS: 244 17:18:41 -8.843567 0.000000 BFGS: 245 17:18:41 -8.843567 0.000000 BFGS: 246 17:18:41 -8.843567 0.000000 BFGS: 247 17:18:41 -8.843567 0.000000 BFGS: 248 17:18:41 -8.843567 0.000000 BFGS: 249 17:18:41 -8.843567 0.000000 BFGS: 250 17:18:41 -8.843567 0.000000 BFGS: 251 17:18:41 -8.843567 0.000000 BFGS: 252 17:18:41 -8.843567 0.000000 BFGS: 253 17:18:41 -8.843567 0.000000 BFGS: 254 17:18:41 -8.843567 0.000000 BFGS: 255 17:18:41 -8.843567 0.000000 BFGS: 256 17:18:41 -8.843567 0.000000 BFGS: 257 17:18:41 -8.843567 0.000000 BFGS: 258 17:18:41 -8.843567 0.000000 BFGS: 259 17:18:41 -8.843567 0.000000 BFGS: 260 17:18:41 -8.843567 0.000000 BFGS: 261 17:18:41 -8.843567 0.000000 BFGS: 262 17:18:41 -8.843567 0.000000 BFGS: 263 17:18:41 -8.843567 0.000000 BFGS: 264 17:18:41 -8.843567 0.000000 BFGS: 265 17:18:41 -8.843567 0.000000 BFGS: 266 17:18:41 -8.843567 0.000000 BFGS: 267 17:18:41 -8.843567 0.000000 BFGS: 268 17:18:41 -8.843567 0.000000 BFGS: 269 17:18:41 -8.843567 0.000000 BFGS: 270 17:18:41 -8.843567 0.000000 BFGS: 271 17:18:41 -8.843567 0.000000 BFGS: 272 17:18:41 -8.843567 0.000000 BFGS: 273 17:18:41 -8.843567 0.000000 BFGS: 274 17:18:41 -8.843567 0.000000 BFGS: 275 17:18:41 -8.843567 0.000000 BFGS: 276 17:18:41 -8.843567 0.000000 BFGS: 277 17:18:41 -8.843567 0.000000 BFGS: 278 17:18:41 -8.843567 0.000000 BFGS: 279 17:18:41 -8.843567 0.000000 BFGS: 280 17:18:41 -8.843567 0.000000 BFGS: 281 17:18:41 -8.843567 0.000000 BFGS: 282 17:18:41 -8.843567 0.000000 BFGS: 283 17:18:41 -8.843567 0.000000 BFGS: 284 17:18:41 -8.843567 0.000000 BFGS: 285 17:18:41 -8.843567 0.000000 BFGS: 286 17:18:41 -8.843567 0.000000 BFGS: 287 17:18:41 -8.843567 0.000000 BFGS: 288 17:18:41 -8.843567 0.000000 BFGS: 289 17:18:41 -8.843567 0.000000 BFGS: 290 17:18:41 -8.843567 0.000000 BFGS: 291 17:18:41 -8.843567 0.000000 BFGS: 292 17:18:41 -8.843567 0.000000 BFGS: 293 17:18:41 -8.843567 0.000000 BFGS: 294 17:18:41 -8.843567 0.000000 BFGS: 295 17:18:41 -8.843567 0.000000 BFGS: 296 17:18:41 -8.843567 0.000000 BFGS: 297 17:18:41 -8.843567 0.000000 BFGS: 298 17:18:41 -8.843567 0.000000 BFGS: 299 17:18:41 -8.843567 0.000000 BFGS: 300 17:18:41 -8.843567 0.000000 BFGS: 301 17:18:41 -8.843567 0.000000 BFGS: 302 17:18:41 -8.843567 0.000000 BFGS: 303 17:18:41 -8.843567 0.000000 BFGS: 304 17:18:41 -8.843567 0.000000 BFGS: 305 17:18:41 -8.843567 0.000000 BFGS: 306 17:18:41 -8.843567 0.000000 BFGS: 307 17:18:41 -8.843567 0.000000 BFGS: 308 17:18:41 -8.843567 0.000000 BFGS: 309 17:18:41 -8.843567 0.000000 BFGS: 310 17:18:41 -8.843567 0.000000 BFGS: 311 17:18:41 -8.843567 0.000000 BFGS: 312 17:18:41 -8.843567 0.000000 BFGS: 313 17:18:41 -8.843567 0.000000 BFGS: 314 17:18:41 -8.843567 0.000000 BFGS: 315 17:18:41 -8.843567 0.000000 BFGS: 316 17:18:41 -8.843567 0.000000 BFGS: 317 17:18:41 -8.843567 0.000000 BFGS: 318 17:18:41 -8.843567 0.000000 BFGS: 319 17:18:41 -8.843567 0.000000 BFGS: 320 17:18:42 -8.843567 0.000000 BFGS: 321 17:18:42 -8.843567 0.000000 BFGS: 322 17:18:42 -8.843567 0.000000 BFGS: 323 17:18:42 -8.843567 0.000000 BFGS: 324 17:18:42 -8.843567 0.000000 BFGS: 325 17:18:42 -8.843567 0.000000 BFGS: 326 17:18:42 -8.843567 0.000000 BFGS: 327 17:18:42 -8.843567 0.000000 BFGS: 328 17:18:42 -8.843567 0.000000 BFGS: 329 17:18:42 -8.843567 0.000000 BFGS: 330 17:18:42 -8.843567 0.000000 BFGS: 331 17:18:42 -8.843567 0.000000 BFGS: 332 17:18:42 -8.843567 0.000000 BFGS: 333 17:18:42 -8.843567 0.000000 BFGS: 334 17:18:42 -8.843567 0.000000 BFGS: 335 17:18:42 -8.843567 0.000000 BFGS: 336 17:18:42 -8.843567 0.000000 BFGS: 337 17:18:42 -8.843567 0.000000 BFGS: 338 17:18:42 -8.843567 0.000000 BFGS: 339 17:18:42 -8.843567 0.000000 BFGS: 340 17:18:42 -8.843567 0.000000 BFGS: 341 17:18:42 -8.843567 0.000000 BFGS: 342 17:18:42 -8.843567 0.000000 BFGS: 343 17:18:42 -8.843567 0.000000 BFGS: 344 17:18:42 -8.843567 0.000000 BFGS: 345 17:18:42 -8.843567 0.000000 BFGS: 346 17:18:42 -8.843567 0.000000 BFGS: 347 17:18:42 -8.843567 0.000000 BFGS: 348 17:18:42 -8.843567 0.000000 BFGS: 349 17:18:42 -8.843567 0.000000 BFGS: 350 17:18:42 -8.843567 0.000000 BFGS: 351 17:18:42 -8.843567 0.000000 BFGS: 352 17:18:42 -8.843567 0.000000 BFGS: 353 17:18:42 -8.843567 0.000000 BFGS: 354 17:18:42 -8.843567 0.000000 BFGS: 355 17:18:42 -8.843567 0.000000 BFGS: 356 17:18:42 -8.843567 0.000000 BFGS: 357 17:18:42 -8.843567 0.000000 BFGS: 358 17:18:42 -8.843567 0.000000 BFGS: 359 17:18:42 -8.843567 0.000000 BFGS: 360 17:18:42 -8.843567 0.000000 BFGS: 361 17:18:42 -8.843567 0.000000 BFGS: 362 17:18:42 -8.843567 0.000000 BFGS: 363 17:18:42 -8.843567 0.000000 BFGS: 364 17:18:42 -8.843567 0.000000 BFGS: 365 17:18:42 -8.843567 0.000000 BFGS: 366 17:18:42 -8.843567 0.000000 BFGS: 367 17:18:42 -8.843567 0.000000 BFGS: 368 17:18:42 -8.843567 0.000000 BFGS: 369 17:18:42 -8.843567 0.000000 BFGS: 370 17:18:42 -8.843567 0.000000 BFGS: 371 17:18:42 -8.843567 0.000000 BFGS: 372 17:18:42 -8.843567 0.000000 BFGS: 373 17:18:42 -8.843567 0.000000 BFGS: 374 17:18:42 -8.843567 0.000000 BFGS: 375 17:18:42 -8.843567 0.000000 BFGS: 376 17:18:42 -8.843567 0.000000 BFGS: 377 17:18:42 -8.843567 0.000000 BFGS: 378 17:18:42 -8.843567 0.000000 BFGS: 379 17:18:42 -8.843567 0.000000 BFGS: 380 17:18:42 -8.843567 0.000000 BFGS: 381 17:18:42 -8.843567 0.000000 BFGS: 382 17:18:42 -8.843567 0.000000 BFGS: 383 17:18:42 -8.843567 0.000000 BFGS: 384 17:18:42 -8.843567 0.000000 BFGS: 385 17:18:42 -8.843567 0.000000 BFGS: 386 17:18:42 -8.843567 0.000000 BFGS: 387 17:18:42 -8.843567 0.000000 BFGS: 388 17:18:42 -8.843567 0.000000 BFGS: 389 17:18:42 -8.843567 0.000000 BFGS: 390 17:18:42 -8.843567 0.000000 BFGS: 391 17:18:42 -8.843567 0.000000 BFGS: 392 17:18:42 -8.843567 0.000000 BFGS: 393 17:18:42 -8.843567 0.000000 BFGS: 394 17:18:42 -8.843567 0.000000 BFGS: 395 17:18:42 -8.843567 0.000000 BFGS: 396 17:18:42 -8.843567 0.000000 BFGS: 397 17:18:42 -8.843567 0.000000 BFGS: 398 17:18:42 -8.843567 0.000000 BFGS: 399 17:18:42 -8.843567 0.000000 BFGS: 400 17:18:42 -8.843567 0.000000 BFGS: 401 17:18:42 -8.843567 0.000000 BFGS: 402 17:18:42 -8.843567 0.000000 BFGS: 403 17:18:42 -8.843567 0.000000 BFGS: 404 17:18:42 -8.843567 0.000000 BFGS: 405 17:18:42 -8.843567 0.000000 BFGS: 406 17:18:42 -8.843567 0.000000 BFGS: 407 17:18:42 -8.843567 0.000000 BFGS: 408 17:18:42 -8.843567 0.000000 BFGS: 409 17:18:42 -8.843567 0.000000 BFGS: 410 17:18:42 -8.843567 0.000000 BFGS: 411 17:18:42 -8.843567 0.000000 BFGS: 412 17:18:42 -8.843567 0.000000 BFGS: 413 17:18:42 -8.843567 0.000000 BFGS: 414 17:18:42 -8.843567 0.000000 BFGS: 415 17:18:42 -8.843567 0.000000 BFGS: 416 17:18:42 -8.843567 0.000000 BFGS: 417 17:18:42 -8.843567 0.000000 BFGS: 418 17:18:42 -8.843567 0.000000 BFGS: 419 17:18:42 -8.843567 0.000000 BFGS: 420 17:18:42 -8.843567 0.000000 BFGS: 421 17:18:42 -8.843567 0.000000 BFGS: 422 17:18:42 -8.843567 0.000000 BFGS: 423 17:18:42 -8.843567 0.000000 BFGS: 424 17:18:42 -8.843567 0.000000 BFGS: 425 17:18:42 -8.843567 0.000000 BFGS: 426 17:18:42 -8.843567 0.000000 BFGS: 427 17:18:42 -8.843567 0.000000 BFGS: 428 17:18:42 -8.843567 0.000000 BFGS: 429 17:18:42 -8.843567 0.000000 BFGS: 430 17:18:42 -8.843567 0.000000 BFGS: 431 17:18:42 -8.843567 0.000000 BFGS: 432 17:18:42 -8.843567 0.000000 BFGS: 433 17:18:42 -8.843567 0.000000 BFGS: 434 17:18:42 -8.843567 0.000000 BFGS: 435 17:18:42 -8.843567 0.000000 BFGS: 436 17:18:42 -8.843567 0.000000 BFGS: 437 17:18:42 -8.843567 0.000000 BFGS: 438 17:18:42 -8.843567 0.000000 BFGS: 439 17:18:42 -8.843567 0.000000 BFGS: 440 17:18:42 -8.843567 0.000000 BFGS: 441 17:18:42 -8.843567 0.000000 BFGS: 442 17:18:42 -8.843567 0.000000 BFGS: 443 17:18:42 -8.843567 0.000000 BFGS: 444 17:18:42 -8.843567 0.000000 BFGS: 445 17:18:42 -8.843567 0.000000 BFGS: 446 17:18:42 -8.843567 0.000000 BFGS: 447 17:18:42 -8.843567 0.000000 BFGS: 448 17:18:42 -8.843567 0.000000 BFGS: 449 17:18:42 -8.843567 0.000000 BFGS: 450 17:18:42 -8.843567 0.000000 BFGS: 451 17:18:42 -8.843567 0.000000 BFGS: 452 17:18:42 -8.843567 0.000000 BFGS: 453 17:18:42 -8.843567 0.000000 BFGS: 454 17:18:42 -8.843567 0.000000 BFGS: 455 17:18:42 -8.843567 0.000000 BFGS: 456 17:18:42 -8.843567 0.000000 BFGS: 457 17:18:42 -8.843567 0.000000 BFGS: 458 17:18:42 -8.843567 0.000000 BFGS: 459 17:18:42 -8.843567 0.000000 BFGS: 460 17:18:42 -8.843567 0.000000 BFGS: 461 17:18:42 -8.843567 0.000000 BFGS: 462 17:18:42 -8.843567 0.000000 BFGS: 463 17:18:42 -8.843567 0.000000 BFGS: 464 17:18:42 -8.843567 0.000000 BFGS: 465 17:18:42 -8.843567 0.000000 BFGS: 466 17:18:42 -8.843567 0.000000 BFGS: 467 17:18:42 -8.843567 0.000000 BFGS: 468 17:18:42 -8.843567 0.000000 BFGS: 469 17:18:42 -8.843567 0.000000 BFGS: 470 17:18:42 -8.843567 0.000000 BFGS: 471 17:18:42 -8.843567 0.000000 BFGS: 472 17:18:42 -8.843567 0.000000 BFGS: 473 17:18:42 -8.843567 0.000000 BFGS: 474 17:18:42 -8.843567 0.000000 BFGS: 475 17:18:42 -8.843567 0.000000 BFGS: 476 17:18:42 -8.843567 0.000000 BFGS: 477 17:18:42 -8.843567 0.000000 BFGS: 478 17:18:42 -8.843567 0.000000 BFGS: 479 17:18:42 -8.843567 0.000000 BFGS: 480 17:18:42 -8.843567 0.000000 BFGS: 481 17:18:42 -8.843567 0.000000 BFGS: 482 17:18:42 -8.843567 0.000000 BFGS: 483 17:18:42 -8.843567 0.000000 BFGS: 484 17:18:42 -8.843567 0.000000 BFGS: 485 17:18:42 -8.843567 0.000000 BFGS: 486 17:18:42 -8.843567 0.000000 BFGS: 487 17:18:42 -8.843567 0.000000 BFGS: 488 17:18:42 -8.843567 0.000000 BFGS: 489 17:18:42 -8.843567 0.000000 BFGS: 490 17:18:42 -8.843567 0.000000 BFGS: 491 17:18:42 -8.843567 0.000000 BFGS: 492 17:18:42 -8.843567 0.000000 BFGS: 493 17:18:42 -8.843567 0.000000 BFGS: 494 17:18:42 -8.843567 0.000000 BFGS: 495 17:18:42 -8.843567 0.000000 BFGS: 496 17:18:42 -8.843567 0.000000 BFGS: 497 17:18:42 -8.843567 0.000000 BFGS: 498 17:18:42 -8.843567 0.000000 BFGS: 499 17:18:42 -8.843567 0.000000 BFGS: 500 17:18:42 -8.843567 0.000000 BFGS: 501 17:18:42 -8.843567 0.000000 BFGS: 502 17:18:43 -8.843567 0.000000 BFGS: 503 17:18:43 -8.843567 0.000000 BFGS: 504 17:18:43 -8.843567 0.000000 BFGS: 505 17:18:43 -8.843567 0.000000 BFGS: 506 17:18:43 -8.843567 0.000000 BFGS: 507 17:18:43 -8.843567 0.000000 BFGS: 508 17:18:43 -8.843567 0.000000 BFGS: 509 17:18:43 -8.843567 0.000000 BFGS: 510 17:18:43 -8.843567 0.000000 BFGS: 511 17:18:43 -8.843567 0.000000 BFGS: 512 17:18:43 -8.843567 0.000000 BFGS: 513 17:18:43 -8.843567 0.000000 BFGS: 514 17:18:43 -8.843567 0.000000 BFGS: 515 17:18:43 -8.843567 0.000000 BFGS: 516 17:18:43 -8.843567 0.000000 BFGS: 517 17:18:43 -8.843567 0.000000 BFGS: 518 17:18:43 -8.843567 0.000000 BFGS: 519 17:18:43 -8.843567 0.000000 BFGS: 520 17:18:43 -8.843567 0.000000 BFGS: 521 17:18:43 -8.843567 0.000000 BFGS: 522 17:18:43 -8.843567 0.000000 BFGS: 523 17:18:43 -8.843567 0.000000 BFGS: 524 17:18:43 -8.843567 0.000000 BFGS: 525 17:18:43 -8.843567 0.000000 BFGS: 526 17:18:43 -8.843567 0.000000 BFGS: 527 17:18:43 -8.843567 0.000000 BFGS: 528 17:18:43 -8.843567 0.000000 BFGS: 529 17:18:43 -8.843567 0.000000 BFGS: 530 17:18:43 -8.843567 0.000000 BFGS: 531 17:18:43 -8.843567 0.000000 BFGS: 532 17:18:43 -8.843567 0.000000 BFGS: 533 17:18:43 -8.843567 0.000000 BFGS: 534 17:18:43 -8.843567 0.000000 BFGS: 535 17:18:43 -8.843567 0.000000 BFGS: 536 17:18:43 -8.843567 0.000000 BFGS: 537 17:18:43 -8.843567 0.000000 BFGS: 538 17:18:43 -8.843567 0.000000 BFGS: 539 17:18:43 -8.843567 0.000000 BFGS: 540 17:18:43 -8.843567 0.000000 BFGS: 541 17:18:43 -8.843567 0.000000 BFGS: 542 17:18:43 -8.843567 0.000000 BFGS: 543 17:18:43 -8.843567 0.000000 BFGS: 544 17:18:43 -8.843567 0.000000 BFGS: 545 17:18:43 -8.843567 0.000000 BFGS: 546 17:18:43 -8.843567 0.000000 BFGS: 547 17:18:43 -8.843567 0.000000 BFGS: 548 17:18:43 -8.843567 0.000000 BFGS: 549 17:18:43 -8.843567 0.000000 BFGS: 550 17:18:43 -8.843567 0.000000 BFGS: 551 17:18:43 -8.843567 0.000000 BFGS: 552 17:18:43 -8.843567 0.000000 BFGS: 553 17:18:43 -8.843567 0.000000 BFGS: 554 17:18:43 -8.843567 0.000000 BFGS: 555 17:18:43 -8.843567 0.000000 BFGS: 556 17:18:43 -8.843567 0.000000 BFGS: 557 17:18:43 -8.843567 0.000000 BFGS: 558 17:18:43 -8.843567 0.000000 BFGS: 559 17:18:43 -8.843567 0.000000 BFGS: 560 17:18:43 -8.843567 0.000000 BFGS: 561 17:18:43 -8.843567 0.000000 BFGS: 562 17:18:43 -8.843567 0.000000 BFGS: 563 17:18:43 -8.843567 0.000000 BFGS: 564 17:18:43 -8.843567 0.000000 BFGS: 565 17:18:43 -8.843567 0.000000 BFGS: 566 17:18:43 -8.843567 0.000000 BFGS: 567 17:18:43 -8.843567 0.000000 BFGS: 568 17:18:43 -8.843567 0.000000 BFGS: 569 17:18:43 -8.843567 0.000000 BFGS: 570 17:18:43 -8.843567 0.000000 BFGS: 571 17:18:43 -8.843567 0.000000 BFGS: 572 17:18:43 -8.843567 0.000000 BFGS: 573 17:18:43 -8.843567 0.000000 BFGS: 574 17:18:43 -8.843567 0.000000 BFGS: 575 17:18:43 -8.843567 0.000000 BFGS: 576 17:18:43 -8.843567 0.000000 BFGS: 577 17:18:43 -8.843567 0.000000 BFGS: 578 17:18:43 -8.843567 0.000000 BFGS: 579 17:18:43 -8.843567 0.000000 BFGS: 580 17:18:43 -8.843567 0.000000 BFGS: 581 17:18:43 -8.843567 0.000000 BFGS: 582 17:18:43 -8.843567 0.000000 BFGS: 583 17:18:43 -8.843567 0.000000 BFGS: 584 17:18:43 -8.843567 0.000000 BFGS: 585 17:18:43 -8.843567 0.000000 BFGS: 586 17:18:43 -8.843567 0.000000 BFGS: 587 17:18:43 -8.843567 0.000000 BFGS: 588 17:18:43 -8.843567 0.000000 BFGS: 589 17:18:43 -8.843567 0.000000 Minimization converged after 589 steps. Maximum force component: 1.0187629574125115e-08 eV/Angstrom Maximum stress component: 1.9763970156444213e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na'] basis = [[0.89830986 0.25 0.375 ] [0.60169014 0.75 0.875 ] [0.10169014 0.75 0.625 ] [0.39830986 0.25 0.125 ] [0.89830986 0.25 0.875 ] [0.60169014 0.75 0.375 ] [0.10169014 0.75 0.125 ] [0.39830986 0.25 0.625 ]] cellpar = Cell([[6.732359085063294, 2.018264844937143e-36, 0.0], [6.298973030414891e-37, 6.152890270252399, 0.0], [0.0, 0.0, 7.312464429456216]]) forces = [[ 6.36075236e-10 -1.51680456e-31 -1.01876296e-08] [-6.36075236e-10 1.51680456e-31 -1.01876296e-08] [-6.36075236e-10 1.51680456e-31 1.01876296e-08] [ 6.36075236e-10 -1.51680456e-31 1.01876296e-08] [-1.08982176e-09 -4.55041368e-31 -9.92423980e-09] [ 1.08982176e-09 1.51680456e-31 -9.92423980e-09] [ 1.08982176e-09 1.51680456e-31 9.92423980e-09] [-1.08982176e-09 -1.51680456e-31 9.92423980e-09]] stress = [ 3.94808018e-12 5.77864679e-13 -1.97639702e-11 0.00000000e+00 0.00000000e+00 -2.97559635e-34] energy per atom = -1.105445836838259 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oP8_62_2c, while relaxed is A_oC4_63_c. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.