element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP24_56_ace_e
Parameter names:
['a', 'b/a', 'c/a', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7491', '1.7235055', '1.8103009', '0.63889715', '0.41550114', '0.94700885', '0.19965341', '0.64578714', '0.93695194', '0.34105637']
model name:
Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000
==== Building ASE atoms object with: ====
representative atom symbols = ['O', 'O', 'O', 'Si']
representative atom coordinates = [[0. 0. 0. ]
[0.25 0.25 0.63889715]
[0.41550114 0.94700885 0.19965341]
[0.64578714 0.93695194 0.34105637]]
spacegroup = 56
cell = [[4.7491, 0, 0], [0, 8.1851, 0], [0, 0, 8.5973]]
=========================================
Step Time Energy fmax
BFGS: 0 13:37:24 -330.020276 0.907476
BFGS: 1 13:37:24 -330.114909 0.675231
BFGS: 2 13:37:24 -330.236338 0.175054
BFGS: 3 13:37:24 -330.237506 0.180315
BFGS: 4 13:37:24 -330.241290 0.183668
BFGS: 5 13:37:24 -330.244018 0.171653
BFGS: 6 13:37:24 -330.246788 0.144136
BFGS: 7 13:37:24 -330.249107 0.116918
BFGS: 8 13:37:24 -330.251744 0.133222
BFGS: 9 13:37:24 -330.255296 0.131099
BFGS: 10 13:37:24 -330.257591 0.118224
BFGS: 11 13:37:24 -330.259079 0.119777
BFGS: 12 13:37:24 -330.259944 0.105844
BFGS: 13 13:37:25 -330.261140 0.089381
BFGS: 14 13:37:25 -330.262620 0.076935
BFGS: 15 13:37:25 -330.263609 0.077062
BFGS: 16 13:37:25 -330.264068 0.084005
BFGS: 17 13:37:25 -330.264523 0.090542
BFGS: 18 13:37:25 -330.265397 0.096791
BFGS: 19 13:37:25 -330.266980 0.096458
BFGS: 20 13:37:25 -330.271589 0.081245
BFGS: 21 13:37:25 -330.274997 0.052896
BFGS: 22 13:37:25 -330.275634 0.024275
BFGS: 23 13:37:25 -330.275773 0.024736
BFGS: 24 13:37:25 -330.275802 0.023637
BFGS: 25 13:37:25 -330.275877 0.020276
BFGS: 26 13:37:25 -330.276103 0.018460
BFGS: 27 13:37:25 -330.276159 0.014978
BFGS: 28 13:37:25 -330.276403 0.006246
BFGS: 29 13:37:25 -330.276430 0.006817
BFGS: 30 13:37:25 -330.276427 0.007300
BFGS: 31 13:37:25 -330.276422 0.007768
BFGS: 32 13:37:25 -330.276379 0.008447
BFGS: 33 13:37:25 -330.276433 0.008979
BFGS: 34 13:37:25 -330.276469 0.008746
BFGS: 35 13:37:25 -330.276561 0.007441
BFGS: 36 13:37:25 -330.275926 0.004465
BFGS: 37 13:37:26 -330.275910 0.001115
BFGS: 38 13:37:26 -330.275924 0.000089
BFGS: 39 13:37:26 -330.275926 0.000009
BFGS: 40 13:37:26 -330.275936 0.000001
BFGS: 41 13:37:26 -330.275935 0.000001
BFGS: 42 13:37:26 -330.275934 0.000000
BFGS: 43 13:37:26 -330.275935 0.000000
BFGS: 44 13:37:26 -330.275935 0.000000
BFGS: 45 13:37:26 -330.275935 0.000000
BFGS: 46 13:37:26 -330.275935 0.000000
BFGS: 47 13:37:26 -330.275935 0.000000
BFGS: 48 13:37:26 -330.275934 0.000000
BFGS: 49 13:37:26 -330.275935 0.000000
BFGS: 50 13:37:26 -330.275934 0.000000
BFGS: 51 13:37:26 -330.275934 0.000000
BFGS: 52 13:37:26 -330.275936 0.000000
BFGS: 53 13:37:26 -330.275932 0.000001
BFGS: 54 13:37:26 -330.275802 0.000036
BFGS: 55 13:37:26 -330.275928 0.000006
BFGS: 56 13:37:26 -330.275931 0.000007
BFGS: 57 13:37:26 -330.275929 0.000002
BFGS: 58 13:37:26 -330.275922 0.000001
BFGS: 59 13:37:26 -330.275924 0.000001
BFGS: 60 13:37:26 -330.275924 0.000001
BFGS: 61 13:37:26 -330.275921 0.000001
BFGS: 62 13:37:26 -330.275922 0.000001
BFGS: 63 13:37:26 -330.275921 0.000001
BFGS: 64 13:37:26 -330.275925 0.000000
BFGS: 65 13:37:26 -330.275922 0.000000
BFGS: 66 13:37:26 -330.275924 0.000000
BFGS: 67 13:37:26 -330.275923 0.000000
BFGS: 68 13:37:26 -330.275923 0.000000
BFGS: 69 13:37:26 -330.275923 0.000000
BFGS: 70 13:37:26 -330.275923 0.000000
BFGS: 71 13:37:26 -330.275923 0.000000
BFGS: 72 13:37:26 -330.275922 0.000000
BFGS: 73 13:37:26 -330.275924 0.000000
BFGS: 74 13:37:26 -330.275922 0.000000
BFGS: 75 13:37:26 -330.275871 0.000023
BFGS: 76 13:37:26 -330.275925 0.000027
BFGS: 77 13:37:26 -330.275932 0.000010
BFGS: 78 13:37:26 -330.275925 0.000003
BFGS: 79 13:37:26 -330.275925 0.000001
BFGS: 80 13:37:26 -330.275926 0.000001
BFGS: 81 13:37:26 -330.275931 0.000001
BFGS: 82 13:37:26 -330.275930 0.000000
BFGS: 83 13:37:26 -330.275929 0.000000
BFGS: 84 13:37:26 -330.275929 0.000000
BFGS: 85 13:37:26 -330.275928 0.000000
BFGS: 86 13:37:26 -330.275930 0.000000
BFGS: 87 13:37:27 -330.275929 0.000000
BFGS: 88 13:37:27 -330.275929 0.000000
BFGS: 89 13:37:27 -330.275875 0.000023
BFGS: 90 13:37:27 -330.275924 0.000020
BFGS: 91 13:37:27 -330.275925 0.000011
BFGS: 92 13:37:27 -330.275931 0.000001
BFGS: 93 13:37:27 -330.275935 0.000001
BFGS: 94 13:37:27 -330.275934 0.000000
BFGS: 95 13:37:28 -330.275936 0.000000
BFGS: 96 13:37:28 -330.275936 0.000000
BFGS: 97 13:37:28 -330.275935 0.000000
BFGS: 98 13:37:28 -330.275805 0.000035
BFGS: 99 13:37:28 -330.275924 0.000026
BFGS: 100 13:37:28 -330.275926 0.000013
BFGS: 101 13:37:29 -330.275923 0.000002
BFGS: 102 13:37:29 -330.275923 0.000000
BFGS: 103 13:37:29 -330.275870 0.000023
BFGS: 104 13:37:29 -330.275921 0.000025
BFGS: 105 13:37:29 -330.275929 0.000010
BFGS: 106 13:37:30 -330.275921 0.000002
BFGS: 107 13:37:30 -330.275928 0.000001
BFGS: 108 13:37:30 -330.275934 0.000001
BFGS: 109 13:37:30 -330.275935 0.000001
BFGS: 110 13:37:30 -330.275936 0.000000
BFGS: 111 13:37:30 -330.275934 0.000000
BFGS: 112 13:37:30 -330.275935 0.000000
BFGS: 113 13:37:30 -330.275933 0.000000
BFGS: 114 13:37:30 -330.275935 0.000000
BFGS: 115 13:37:30 -330.275935 0.000000
BFGS: 116 13:37:30 -330.275935 0.000000
BFGS: 117 13:37:31 -330.275934 0.000000
BFGS: 118 13:37:31 -330.275934 0.000000
BFGS: 119 13:37:31 -330.275934 0.000000
BFGS: 120 13:37:31 -330.275934 0.000000
BFGS: 121 13:37:31 -330.275934 0.000000
BFGS: 122 13:37:31 -330.275934 0.000000
BFGS: 123 13:37:31 -330.275934 0.000000
BFGS: 124 13:37:31 -330.275934 0.000000
BFGS: 125 13:37:32 -330.275934 0.000000
BFGS: 126 13:37:32 -330.275765 0.000050
BFGS: 127 13:37:32 -330.275933 0.000036
BFGS: 128 13:37:32 -330.275930 0.000021
BFGS: 129 13:37:32 -330.275928 0.000003
BFGS: 130 13:37:32 -330.275926 0.000001
BFGS: 131 13:37:32 -330.275929 0.000001
BFGS: 132 13:37:32 -330.275928 0.000001
BFGS: 133 13:37:32 -330.275929 0.000000
BFGS: 134 13:37:32 -330.275931 0.000000
BFGS: 135 13:37:32 -330.275929 0.000000
BFGS: 136 13:37:32 -330.275930 0.000000
BFGS: 137 13:37:32 -330.275929 0.000000
BFGS: 138 13:37:32 -330.275930 0.000000
BFGS: 139 13:37:33 -330.275930 0.000000
BFGS: 140 13:37:33 -330.275929 0.000000
BFGS: 141 13:37:33 -330.275929 0.000000
BFGS: 142 13:37:33 -330.275930 0.000000
BFGS: 143 13:37:33 -330.275930 0.000000
BFGS: 144 13:37:33 -330.275930 0.000000
BFGS: 145 13:37:33 -330.275929 0.000000
BFGS: 146 13:37:33 -330.275930 0.000000
BFGS: 147 13:37:33 -330.275929 0.000000
BFGS: 148 13:37:33 -330.275930 0.000000
BFGS: 149 13:37:33 -330.275929 0.000000
BFGS: 150 13:37:33 -330.275929 0.000000
BFGS: 151 13:37:34 -330.275929 0.000000
BFGS: 152 13:37:34 -330.275929 0.000000
BFGS: 153 13:37:34 -330.275929 0.000000
BFGS: 154 13:37:34 -330.275930 0.000000
BFGS: 155 13:37:34 -330.275929 0.000000
BFGS: 156 13:37:34 -330.275930 0.000000
BFGS: 157 13:37:34 -330.275929 0.000000
BFGS: 158 13:37:34 -330.275929 0.000000
BFGS: 159 13:37:34 -330.275929 0.000000
BFGS: 160 13:37:34 -330.275930 0.000000
BFGS: 161 13:37:34 -330.275929 0.000000
BFGS: 162 13:37:35 -330.275930 0.000000
BFGS: 163 13:37:35 -330.275930 0.000000
BFGS: 164 13:37:35 -330.275930 0.000000
BFGS: 165 13:37:35 -330.275929 0.000000
BFGS: 166 13:37:35 -330.275930 0.000000
BFGS: 167 13:37:35 -330.275929 0.000000
BFGS: 168 13:37:35 -330.275930 0.000000
BFGS: 169 13:37:35 -330.275929 0.000000
BFGS: 170 13:37:35 -330.275930 0.000000
BFGS: 171 13:37:35 -330.275929 0.000000
BFGS: 172 13:37:35 -330.275929 0.000000
BFGS: 173 13:37:35 -330.275930 0.000000
BFGS: 174 13:37:35 -330.275930 0.000000
BFGS: 175 13:37:35 -330.275929 0.000000
BFGS: 176 13:37:36 -330.275930 0.000000
BFGS: 177 13:37:36 -330.275929 0.000000
BFGS: 178 13:37:36 -330.275930 0.000000
BFGS: 179 13:37:36 -330.275928 0.000000
BFGS: 180 13:37:36 -330.275930 0.000000
BFGS: 181 13:37:36 -330.275929 0.000000
BFGS: 182 13:37:36 -330.275930 0.000000
BFGS: 183 13:37:36 -330.275929 0.000000
BFGS: 184 13:37:36 -330.275930 0.000000
BFGS: 185 13:37:36 -330.275929 0.000000
BFGS: 186 13:37:36 -330.275930 0.000000
BFGS: 187 13:37:37 -330.275929 0.000000
BFGS: 188 13:37:37 -330.275929 0.000000
BFGS: 189 13:37:37 -330.275930 0.000000
BFGS: 190 13:37:37 -330.275929 0.000000
BFGS: 191 13:37:37 -330.275929 0.000000
BFGS: 192 13:37:37 -330.275929 0.000000
BFGS: 193 13:37:37 -330.275929 0.000000
BFGS: 194 13:37:37 -330.275930 0.000000
BFGS: 195 13:37:37 -330.275929 0.000000
BFGS: 196 13:37:37 -330.275929 0.000000
BFGS: 197 13:37:37 -330.275928 0.000000
BFGS: 198 13:37:38 -330.275930 0.000000
BFGS: 199 13:37:38 -330.275930 0.000000
BFGS: 200 13:37:38 -330.275929 0.000000
BFGS: 201 13:37:38 -330.275928 0.000000
BFGS: 202 13:37:38 -330.275930 0.000000
BFGS: 203 13:37:38 -330.275930 0.000000
BFGS: 204 13:37:38 -330.275929 0.000000
BFGS: 205 13:37:38 -330.275928 0.000000
BFGS: 206 13:37:38 -330.275930 0.000000
BFGS: 207 13:37:39 -330.275930 0.000000
BFGS: 208 13:37:39 -330.275929 0.000000
BFGS: 209 13:37:39 -330.275929 0.000000
BFGS: 210 13:37:39 -330.275930 0.000000
BFGS: 211 13:37:39 -330.275930 0.000000
BFGS: 212 13:37:39 -330.275929 0.000000
BFGS: 213 13:37:39 -330.275929 0.000000
BFGS: 214 13:37:40 -330.275876 0.000023
BFGS: 215 13:37:40 -330.275933 0.000025
BFGS: 216 13:37:40 -330.275924 0.000011
BFGS: 217 13:37:40 -330.275926 0.000002
BFGS: 218 13:37:40 -330.275924 0.000001
BFGS: 219 13:37:40 -330.275922 0.000000
BFGS: 220 13:37:40 -330.275921 0.000000
BFGS: 221 13:37:40 -330.275926 0.000001
BFGS: 222 13:37:40 -330.275925 0.000000
BFGS: 223 13:37:40 -330.275926 0.000000
BFGS: 224 13:37:40 -330.275926 0.000000
BFGS: 225 13:37:41 -330.275922 0.000001
BFGS: 226 13:37:41 -330.275923 0.000000
BFGS: 227 13:37:41 -330.275924 0.000000
BFGS: 228 13:37:41 -330.275926 0.000000
BFGS: 229 13:37:41 -330.275923 0.000000
BFGS: 230 13:37:41 -330.275924 0.000000
BFGS: 231 13:37:41 -330.275926 0.000000
BFGS: 232 13:37:41 -330.275923 0.000000
BFGS: 233 13:37:41 -330.275923 0.000000
BFGS: 234 13:37:41 -330.275925 0.000000
BFGS: 235 13:37:41 -330.275924 0.000000
BFGS: 236 13:37:41 -330.275872 0.000023
BFGS: 237 13:37:42 -330.275927 0.000018
BFGS: 238 13:37:42 -330.275926 0.000010
BFGS: 239 13:37:42 -330.275932 0.000002
BFGS: 240 13:37:42 -330.275921 0.000001
BFGS: 241 13:37:42 -330.275921 0.000000
BFGS: 242 13:37:42 -330.275930 0.000001
BFGS: 243 13:37:42 -330.275921 0.000001
BFGS: 244 13:37:42 -330.275930 0.000000
BFGS: 245 13:37:42 -330.275930 0.000000
BFGS: 246 13:37:42 -330.275929 0.000000
BFGS: 247 13:37:42 -330.275930 0.000000
BFGS: 248 13:37:42 -330.275929 0.000000
BFGS: 249 13:37:43 -330.275930 0.000000
BFGS: 250 13:37:43 -330.275929 0.000000
BFGS: 251 13:37:43 -330.275930 0.000000
BFGS: 252 13:37:43 -330.275930 0.000000
BFGS: 253 13:37:43 -330.275929 0.000000
BFGS: 254 13:37:43 -330.275930 0.000000
BFGS: 255 13:37:43 -330.275929 0.000000
BFGS: 256 13:37:43 -330.275930 0.000000
BFGS: 257 13:37:43 -330.275930 0.000000
BFGS: 258 13:37:43 -330.275929 0.000000
BFGS: 259 13:37:44 -330.275930 0.000000
BFGS: 260 13:37:44 -330.275929 0.000000
BFGS: 261 13:37:44 -330.275930 0.000000
BFGS: 262 13:37:44 -330.275929 0.000000
BFGS: 263 13:37:44 -330.275930 0.000000
BFGS: 264 13:37:44 -330.275930 0.000000
BFGS: 265 13:37:44 -330.275929 0.000000
BFGS: 266 13:37:44 -330.275930 0.000000
BFGS: 267 13:37:44 -330.275877 0.000023
BFGS: 268 13:37:44 -330.275921 0.000017
BFGS: 269 13:37:45 -330.275927 0.000009
BFGS: 270 13:37:45 -330.275924 0.000004
BFGS: 271 13:37:45 -330.275928 0.000003
BFGS: 272 13:37:45 -330.275925 0.000001
BFGS: 273 13:37:45 -330.275930 0.000001
BFGS: 274 13:37:45 -330.275925 0.000000
BFGS: 275 13:37:45 -330.275924 0.000000
BFGS: 276 13:37:45 -330.275924 0.000000
BFGS: 277 13:37:46 -330.275924 0.000000
BFGS: 278 13:37:46 -330.275925 0.000000
BFGS: 279 13:37:46 -330.275924 0.000000
BFGS: 280 13:37:46 -330.275925 0.000000
BFGS: 281 13:37:46 -330.275924 0.000000
BFGS: 282 13:37:46 -330.275925 0.000000
BFGS: 283 13:37:46 -330.275924 0.000000
BFGS: 284 13:37:46 -330.275925 0.000000
BFGS: 285 13:37:46 -330.275924 0.000000
BFGS: 286 13:37:46 -330.275925 0.000000
BFGS: 287 13:37:46 -330.275924 0.000000
BFGS: 288 13:37:46 -330.275925 0.000000
BFGS: 289 13:37:47 -330.275924 0.000000
BFGS: 290 13:37:47 -330.275925 0.000000
BFGS: 291 13:37:47 -330.275924 0.000000
BFGS: 292 13:37:47 -330.275925 0.000000
BFGS: 293 13:37:47 -330.275924 0.000000
BFGS: 294 13:37:47 -330.275927 0.000000
BFGS: 295 13:37:47 -330.275924 0.000000
BFGS: 296 13:37:47 -330.275925 0.000000
BFGS: 297 13:37:47 -330.275925 0.000000
BFGS: 298 13:37:47 -330.275924 0.000000
BFGS: 299 13:37:47 -330.275927 0.000000
BFGS: 300 13:37:47 -330.275924 0.000000
BFGS: 301 13:37:47 -330.275925 0.000000
BFGS: 302 13:37:47 -330.275924 0.000000
BFGS: 303 13:37:47 -330.275925 0.000000
BFGS: 304 13:37:48 -330.275924 0.000000
BFGS: 305 13:37:48 -330.275926 0.000000
BFGS: 306 13:37:48 -330.275924 0.000000
BFGS: 307 13:37:48 -330.275926 0.000000
BFGS: 308 13:37:48 -330.275924 0.000000
BFGS: 309 13:37:48 -330.275926 0.000000
BFGS: 310 13:37:48 -330.275924 0.000000
BFGS: 311 13:37:48 -330.275925 0.000000
BFGS: 312 13:37:48 -330.275925 0.000000
BFGS: 313 13:37:48 -330.275925 0.000000
BFGS: 314 13:37:48 -330.275926 0.000000
BFGS: 315 13:37:48 -330.275872 0.000023
BFGS: 316 13:37:48 -330.275926 0.000025
BFGS: 317 13:37:49 -330.275922 0.000011
BFGS: 318 13:37:49 -330.275931 0.000004
BFGS: 319 13:37:49 -330.275931 0.000002
BFGS: 320 13:37:49 -330.275935 0.000001
BFGS: 321 13:37:49 -330.275933 0.000000
BFGS: 322 13:37:49 -330.275934 0.000000
BFGS: 323 13:37:49 -330.275934 0.000000
BFGS: 324 13:37:49 -330.275934 0.000000
BFGS: 325 13:37:49 -330.275934 0.000000
BFGS: 326 13:37:49 -330.275935 0.000000
BFGS: 327 13:37:49 -330.275933 0.000000
BFGS: 328 13:37:49 -330.275935 0.000000
BFGS: 329 13:37:49 -330.275934 0.000000
BFGS: 330 13:37:49 -330.275934 0.000000
BFGS: 331 13:37:49 -330.275934 0.000000
BFGS: 332 13:37:49 -330.275936 0.000000
BFGS: 333 13:37:50 -330.275933 0.000000
BFGS: 334 13:37:50 -330.275935 0.000000
BFGS: 335 13:37:50 -330.275933 0.000000
BFGS: 336 13:37:50 -330.275936 0.000000
BFGS: 337 13:37:50 -330.275880 0.000023
BFGS: 338 13:37:50 -330.275922 0.000017
BFGS: 339 13:37:50 -330.275922 0.000010
BFGS: 340 13:37:50 -330.275930 0.000002
BFGS: 341 13:37:50 -330.275935 0.000001
BFGS: 342 13:37:50 -330.275934 0.000000
BFGS: 343 13:37:50 -330.275935 0.000000
BFGS: 344 13:37:50 -330.275934 0.000000
BFGS: 345 13:37:50 -330.275882 0.000023
BFGS: 346 13:37:51 -330.275924 0.000022
BFGS: 347 13:37:51 -330.275924 0.000011
BFGS: 348 13:37:51 -330.275928 0.000001
BFGS: 349 13:37:51 -330.275873 0.000023
BFGS: 350 13:37:51 -330.275795 0.000038
BFGS: 351 13:37:51 -330.275933 0.000030
BFGS: 352 13:37:51 -330.275919 0.000011
BFGS: 353 13:37:51 -330.275928 0.000003
BFGS: 354 13:37:51 -330.275929 0.000002
BFGS: 355 13:37:51 -330.275927 0.000002
BFGS: 356 13:37:51 -330.275928 0.000001
BFGS: 357 13:37:51 -330.275925 0.000000
BFGS: 358 13:37:51 -330.275928 0.000001
BFGS: 359 13:37:51 -330.275923 0.000001
BFGS: 360 13:37:51 -330.275923 0.000000
BFGS: 361 13:37:51 -330.275922 0.000000
BFGS: 362 13:37:51 -330.275922 0.000000
BFGS: 363 13:37:51 -330.275922 0.000000
BFGS: 364 13:37:52 -330.275922 0.000000
BFGS: 365 13:37:52 -330.275923 0.000000
BFGS: 366 13:37:52 -330.275923 0.000000
BFGS: 367 13:37:52 -330.275923 0.000000
BFGS: 368 13:37:52 -330.275923 0.000000
BFGS: 369 13:37:52 -330.275923 0.000000
BFGS: 370 13:37:52 -330.275922 0.000000
BFGS: 371 13:37:52 -330.275870 0.000023
BFGS: 372 13:37:52 -330.275923 0.000007
BFGS: 373 13:37:52 -330.275925 0.000003
BFGS: 374 13:37:52 -330.275925 0.000001
BFGS: 375 13:37:52 -330.275918 0.000001
BFGS: 376 13:37:52 -330.275918 0.000000
BFGS: 377 13:37:52 -330.275919 0.000000
BFGS: 378 13:37:52 -330.275925 0.000001
BFGS: 379 13:37:53 -330.275924 0.000000
BFGS: 380 13:37:53 -330.275924 0.000000
BFGS: 381 13:37:53 -330.275924 0.000000
BFGS: 382 13:37:53 -330.275923 0.000000
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BFGS: 9976 13:40:59 -330.275922 0.000001
BFGS: 9977 13:40:59 -330.275923 0.000001
BFGS: 9978 13:40:59 -330.275923 0.000001
BFGS: 9979 13:40:59 -330.275923 0.000001
BFGS: 9980 13:40:59 -330.275922 0.000001
BFGS: 9981 13:40:59 -330.275923 0.000001
BFGS: 9982 13:40:59 -330.275923 0.000001
BFGS: 9983 13:40:59 -330.275922 0.000001
BFGS: 9984 13:40:59 -330.275923 0.000001
BFGS: 9985 13:40:59 -330.275923 0.000001
BFGS: 9986 13:40:59 -330.275924 0.000001
BFGS: 9987 13:40:59 -330.275922 0.000001
BFGS: 9988 13:40:59 -330.275923 0.000001
BFGS: 9989 13:40:59 -330.275923 0.000001
BFGS: 9990 13:40:59 -330.275922 0.000001
BFGS: 9991 13:40:59 -330.275923 0.000001
BFGS: 9992 13:40:59 -330.275924 0.000001
BFGS: 9993 13:40:59 -330.275922 0.000001
BFGS: 9994 13:40:59 -330.275870 0.000022
BFGS: 9995 13:40:59 -330.275921 0.000001
BFGS: 9996 13:40:59 -330.275923 0.000001
BFGS: 9997 13:40:59 -330.275922 0.000001
BFGS: 9998 13:40:59 -330.275923 0.000001
BFGS: 9999 13:40:59 -330.275923 0.000001
BFGS: 10000 13:40:59 -330.275922 0.000001
Minimization converged after hitting the maximum of 10000 steps.
Maximum force component: 5.21785104433143e-07 eV/Angstrom
Maximum stress component: 7.946799769432734e-08 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis = [[0. 0. 0. ]
[0.5 0.5 0. ]
[0. 0.5 0.5 ]
[0.5 0. 0.5 ]
[0.25 0.25 0.64158105]
[0.75 0.75 0.85841895]
[0.75 0.75 0.35841895]
[0.25 0.25 0.14158105]
[0.40387441 0.94971244 0.20824492]
[0.09612559 0.55028756 0.20824492]
[0.59612559 0.44971244 0.29175508]
[0.90387441 0.05028756 0.29175508]
[0.59612559 0.05028756 0.79175508]
[0.90387441 0.44971244 0.79175508]
[0.40387441 0.55028756 0.70824492]
[0.09612559 0.94971244 0.70824492]
[0.64109723 0.93705532 0.34156613]
[0.85890277 0.56294468 0.34156613]
[0.35890277 0.43705532 0.15843387]
[0.14109723 0.06294468 0.15843387]
[0.35890277 0.06294468 0.65843387]
[0.14109723 0.43705532 0.65843387]
[0.64109723 0.56294468 0.84156613]
[0.85890277 0.93705532 0.84156613]]
cellpar = Cell([[4.815046653572103, -4.142423548166267e-37, 0.0], [-4.868310885386595e-37, 8.116939084655744, 0.0], [0.0, 0.0, 8.641638008927027]])
forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 7.68084026e-67 -1.28062718e-29 -2.56631542e-08]
[-7.68084026e-67 1.28062718e-29 2.56631542e-08]
[-7.68084026e-67 1.28062718e-29 2.56631542e-08]
[ 8.64094530e-67 -1.44070558e-29 -2.56631542e-08]
[ 1.20758809e-07 7.43389654e-08 -1.27652307e-07]
[-1.20758809e-07 -7.43389654e-08 -1.27652307e-07]
[-1.20758809e-07 7.43389654e-08 1.27652307e-07]
[ 1.20758809e-07 -7.43389654e-08 1.27652307e-07]
[-1.20758809e-07 -7.43389654e-08 1.27652307e-07]
[ 1.20758809e-07 7.43389654e-08 1.27652307e-07]
[ 1.20758809e-07 -7.43389654e-08 -1.27652307e-07]
[-1.20758809e-07 7.43389654e-08 -1.27652307e-07]
[-2.08817080e-07 3.45342079e-07 5.21785104e-07]
[ 2.08817080e-07 -3.45342079e-07 5.21785104e-07]
[ 2.08817080e-07 3.45342079e-07 -5.21785104e-07]
[-2.08817080e-07 -3.45342079e-07 -5.21785104e-07]
[ 2.08817080e-07 -3.45342079e-07 -5.21785104e-07]
[-2.08817080e-07 3.45342079e-07 -5.21785104e-07]
[-2.08817080e-07 -3.45342079e-07 5.21785104e-07]
[ 2.08817080e-07 3.45342079e-07 5.21785104e-07]]
stress = [1.87150658e-08 7.85721459e-08 7.94679977e-08 0.00000000e+00
0.00000000e+00 1.61472152e-31]
energy per atom = -13.761496763892731
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0