element(s): ['O', 'V'] AFLOW prototype label: A5B3_aP32_2_10i_6i Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.972', '0.39094977', '0.60800828', '90.043', '149.377', '89.9534', '0.98818359', '0.72629029', '0.99536266', '0.51161987', '0.22485768', '0.0028276914', '0.39082215', '0.452157', '0.45593939', '0.10989826', '0.95278889', '0.5452088', '0.67369132', '0.84384171', '0.96719345', '0.82767277', '0.34343487', '0.034648457', '0.25603964', '0.51558362', '0.81259646', '0.24485346', '0.015566874', '0.18893935', '0.76159154', '0.54420966', '0.48828621', '0.73802411', '0.043942421', '0.51084001', '0.23058345', '0.22579841', '0.33271124', '0.26961361', '0.72611228', '0.66788284', '0.35466061', '0.45870264', '0.1579298', '0.14472852', '0.95857353', '0.84212988', '0.72539175', '0.76514328', '0.26019184', '0.77476858', '0.2645545', '0.73948589'] model name: Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'V', 'V', 'V', 'V', 'V', 'V'] representative atom coordinates = [[0.01181641 0.72629029 0.00463734] [0.48838013 0.22485768 0.99717231] [0.60917785 0.452157 0.54406061] [0.89010174 0.95278889 0.4547912 ] [0.32630868 0.84384171 0.03280655] [0.17232723 0.34343487 0.96535154] [0.74396036 0.51558362 0.18740354] [0.75514654 0.01556687 0.81106065] [0.23840846 0.54420966 0.51171379] [0.26197589 0.04394242 0.48915999] [0.76941655 0.22579841 0.66728876] [0.73038639 0.72611228 0.33211716] [0.64533939 0.45870264 0.8420702 ] [0.85527148 0.95857353 0.15787012] [0.27460825 0.76514328 0.73980816] [0.22523142 0.2645545 0.26051411]] spacegroup = 2 cell = [[14.972, 0, 0], [-0.0047606255163301, 5.8532980640358, 0], [-7.8335599661783, 0.00046058222838506, 4.6369998548795]] ========================================= Step Time Energy fmax BFGS: 0 00:05:28 -205.505239 4.8008 BFGS: 1 00:05:28 -206.293728 2.5944 BFGS: 2 00:05:28 -206.965180 2.6082 BFGS: 3 00:05:28 -208.174879 6.5987 BFGS: 4 00:05:28 -208.082498 5.5108 BFGS: 5 00:05:28 -209.348918 3.9427 BFGS: 6 00:05:29 -210.271934 4.5415 BFGS: 7 00:05:29 -210.307588 6.0341 BFGS: 8 00:05:29 -211.057805 5.4936 BFGS: 9 00:05:29 -211.525510 4.1443 BFGS: 10 00:05:29 -212.029113 2.1867 BFGS: 11 00:05:29 -212.276351 7.5051 BFGS: 12 00:05:29 -212.606384 4.4556 BFGS: 13 00:05:29 -212.890284 3.2938 BFGS: 14 00:05:29 -212.875225 6.2047 BFGS: 15 00:05:29 -213.265815 2.8887 BFGS: 16 00:05:29 -213.396323 5.5400 BFGS: 17 00:05:29 -213.418852 6.5046 BFGS: 18 00:05:29 -213.622563 3.1234 BFGS: 19 00:05:30 -213.719128 2.4906 BFGS: 20 00:05:30 -213.865595 2.4102 BFGS: 21 00:05:30 -213.987808 2.4873 BFGS: 22 00:05:30 -214.101194 2.4663 BFGS: 23 00:05:30 -214.209178 2.2978 BFGS: 24 00:05:30 -214.311787 2.0177 BFGS: 25 00:05:30 -214.405550 1.7748 BFGS: 26 00:05:30 -214.495208 1.4617 BFGS: 27 00:05:30 -214.578508 1.2808 BFGS: 28 00:05:31 -214.658591 1.0620 BFGS: 29 00:05:31 -214.736813 0.7857 BFGS: 30 00:05:31 -214.810807 0.6734 BFGS: 31 00:05:31 -214.878340 0.6702 BFGS: 32 00:05:31 -214.943671 0.6686 BFGS: 33 00:05:31 -215.000108 0.6635 BFGS: 34 00:05:31 -215.056220 0.6612 BFGS: 35 00:05:31 -215.110525 0.6538 BFGS: 36 00:05:31 -215.164404 0.6436 BFGS: 37 00:05:31 -215.215889 0.6395 BFGS: 38 00:05:32 -215.265057 0.6131 BFGS: 39 00:05:32 -215.310899 0.6052 BFGS: 40 00:05:32 -215.355171 0.5857 BFGS: 41 00:05:32 -215.396139 0.5685 BFGS: 42 00:05:32 -215.434826 0.5623 BFGS: 43 00:05:32 -215.470478 0.5812 BFGS: 44 00:05:32 -215.504747 0.5871 BFGS: 45 00:05:32 -215.535663 0.5635 BFGS: 46 00:05:32 -215.565042 0.5156 BFGS: 47 00:05:32 -215.592337 0.4576 BFGS: 48 00:05:32 -215.618896 0.4176 BFGS: 49 00:05:32 -215.645936 0.4012 BFGS: 50 00:05:32 -215.672866 0.3691 BFGS: 51 00:05:33 -215.700065 0.3282 BFGS: 52 00:05:33 -215.727123 0.4207 BFGS: 53 00:05:33 -215.754130 0.6122 BFGS: 54 00:05:33 -215.780278 0.7834 BFGS: 55 00:05:33 -215.805150 0.9493 BFGS: 56 00:05:33 -215.827327 0.9465 BFGS: 57 00:05:33 -215.847933 0.8101 BFGS: 58 00:05:33 -215.864299 0.6074 BFGS: 59 00:05:33 -215.884004 0.6620 BFGS: 60 00:05:33 -215.896726 0.3403 BFGS: 61 00:05:33 -215.915218 0.2187 BFGS: 62 00:05:33 -215.927541 0.2206 BFGS: 63 00:05:33 -215.937479 0.2095 BFGS: 64 00:05:34 -215.944721 0.1610 BFGS: 65 00:05:34 -215.950897 0.1443 BFGS: 66 00:05:34 -215.955614 0.1987 BFGS: 67 00:05:34 -215.962095 0.1892 BFGS: 68 00:05:34 -215.967244 0.1932 BFGS: 69 00:05:34 -215.971020 0.1261 BFGS: 70 00:05:34 -215.973837 0.1080 BFGS: 71 00:05:34 -215.977298 0.1042 BFGS: 72 00:05:34 -215.981447 0.1871 BFGS: 73 00:05:34 -215.985252 0.2257 BFGS: 74 00:05:34 -215.987372 0.2019 BFGS: 75 00:05:34 -215.989529 0.1006 BFGS: 76 00:05:34 -215.991288 0.1070 BFGS: 77 00:05:34 -215.992947 0.1494 BFGS: 78 00:05:34 -215.994145 0.1602 BFGS: 79 00:05:34 -215.995228 0.1312 BFGS: 80 00:05:34 -215.996292 0.0771 BFGS: 81 00:05:35 -215.997311 0.0732 BFGS: 82 00:05:35 -215.998110 0.1194 BFGS: 83 00:05:35 -215.998764 0.1237 BFGS: 84 00:05:35 -215.999486 0.0872 BFGS: 85 00:05:35 -216.000368 0.0745 BFGS: 86 00:05:35 -216.001290 0.0824 BFGS: 87 00:05:35 -216.002134 0.1014 BFGS: 88 00:05:35 -216.002852 0.0838 BFGS: 89 00:05:35 -216.003435 0.0471 BFGS: 90 00:05:35 -216.003940 0.0506 BFGS: 91 00:05:35 -216.004467 0.0783 BFGS: 92 00:05:35 -216.005101 0.1022 BFGS: 93 00:05:35 -216.005877 0.0933 BFGS: 94 00:05:35 -216.006743 0.0714 BFGS: 95 00:05:35 -216.007611 0.0617 BFGS: 96 00:05:36 -216.008466 0.0701 BFGS: 97 00:05:36 -216.009371 0.0843 BFGS: 98 00:05:36 -216.010368 0.0859 BFGS: 99 00:05:36 -216.011353 0.1085 BFGS: 100 00:05:36 -216.011704 0.1722 BFGS: 101 00:05:36 -216.012420 0.0757 BFGS: 102 00:05:36 -216.012958 0.0389 BFGS: 103 00:05:36 -216.013001 0.1020 BFGS: 104 00:05:36 -216.013133 0.0452 BFGS: 105 00:05:36 -216.013253 0.0243 BFGS: 106 00:05:36 -216.013328 0.0226 BFGS: 107 00:05:37 -216.013463 0.0794 BFGS: 108 00:05:37 -216.013369 0.0841 BFGS: 109 00:05:37 -216.013502 0.0157 BFGS: 110 00:05:37 -216.013532 0.0133 BFGS: 111 00:05:37 -216.013420 0.0820 BFGS: 112 00:05:37 -216.013625 0.0694 BFGS: 113 00:05:37 -216.013642 0.0199 BFGS: 114 00:05:38 -216.013681 0.0174 BFGS: 115 00:05:38 -216.013629 0.0695 BFGS: 116 00:05:38 -216.013727 0.0696 BFGS: 117 00:05:38 -216.013720 0.0206 BFGS: 118 00:05:38 -216.013759 0.0211 BFGS: 119 00:05:38 -216.013777 0.0647 BFGS: 120 00:05:38 -216.013809 0.0191 BFGS: 121 00:05:38 -216.013828 0.0182 BFGS: 122 00:05:39 -216.013637 0.0671 BFGS: 123 00:05:39 -216.013849 0.0622 BFGS: 124 00:05:39 -216.013186 0.0481 BFGS: 125 00:05:39 -216.013684 0.0276 BFGS: 126 00:05:39 -216.013665 0.0681 BFGS: 127 00:05:39 -216.013845 0.0194 BFGS: 128 00:05:39 -216.013898 0.0171 BFGS: 129 00:05:40 -216.013542 0.0713 BFGS: 130 00:05:40 -216.013904 0.0654 BFGS: 131 00:05:40 -216.013843 0.0240 BFGS: 132 00:05:40 -216.013914 0.0194 BFGS: 133 00:05:40 -216.013509 0.0708 BFGS: 134 00:05:40 -216.013957 0.0649 BFGS: 135 00:05:40 -216.013832 0.0278 BFGS: 136 00:05:40 -216.013933 0.0210 BFGS: 137 00:05:40 -216.013513 0.0728 BFGS: 138 00:05:40 -216.013996 0.0645 BFGS: 139 00:05:40 -216.012669 0.0707 BFGS: 140 00:05:41 -216.013652 0.0348 BFGS: 141 00:05:41 -216.013515 0.0732 BFGS: 142 00:05:41 -216.013943 0.0207 BFGS: 143 00:05:41 -216.014034 0.0150 BFGS: 144 00:05:41 -216.013421 0.0760 BFGS: 145 00:05:41 -216.013985 0.0645 BFGS: 146 00:05:41 -216.012914 0.0609 BFGS: 147 00:05:41 -216.013714 0.0323 BFGS: 148 00:05:41 -216.013412 0.0760 BFGS: 149 00:05:41 -216.013998 0.0191 BFGS: 150 00:05:41 -216.014093 0.0140 BFGS: 151 00:05:42 -216.013355 0.0775 BFGS: 152 00:05:42 -216.013988 0.0656 BFGS: 153 00:05:42 -216.013022 0.0557 BFGS: 154 00:05:42 -216.013757 0.0310 BFGS: 155 00:05:42 -216.013332 0.0777 BFGS: 156 00:05:42 -216.014041 0.0183 BFGS: 157 00:05:42 -216.014114 0.0659 BFGS: 158 00:05:42 -216.014101 0.0163 BFGS: 159 00:05:42 -216.014126 0.0156 BFGS: 160 00:05:43 -216.013344 0.0759 BFGS: 161 00:05:43 -216.014024 0.0658 BFGS: 162 00:05:43 -216.013161 0.0374 BFGS: 163 00:05:43 -216.013843 0.0242 BFGS: 164 00:05:43 -216.013349 0.0759 BFGS: 165 00:05:43 -216.014112 0.0174 BFGS: 166 00:05:43 -216.014115 0.0640 BFGS: 167 00:05:43 -216.014146 0.0163 BFGS: 168 00:05:43 -216.014165 0.0156 BFGS: 169 00:05:43 -216.013619 0.0684 BFGS: 170 00:05:43 -216.014100 0.0636 BFGS: 171 00:05:43 -216.013257 0.0324 BFGS: 172 00:05:44 -216.013918 0.0233 BFGS: 173 00:05:44 -216.013626 0.0693 BFGS: 174 00:05:44 -216.014133 0.0178 BFGS: 175 00:05:44 -216.014184 0.0648 BFGS: 176 00:05:44 -216.014186 0.0153 BFGS: 177 00:05:44 -216.014180 0.0656 BFGS: 178 00:05:44 -216.014197 0.0147 BFGS: 179 00:05:44 -216.014198 0.0644 BFGS: 180 00:05:44 -216.014198 0.0643 BFGS: 181 00:05:44 -216.014200 0.0146 BFGS: 182 00:05:44 -216.014203 0.0145 BFGS: 183 00:05:44 -216.014083 0.0637 BFGS: 184 00:05:44 -216.014185 0.0619 BFGS: 185 00:05:44 -216.013912 0.0222 BFGS: 186 00:05:44 -216.014124 0.0180 BFGS: 187 00:05:45 -216.014087 0.0638 BFGS: 188 00:05:45 -216.014182 0.0159 BFGS: 189 00:05:45 -216.014199 0.0153 BFGS: 190 00:05:45 -216.014089 0.0630 BFGS: 191 00:05:45 -216.014207 0.0150 BFGS: 192 00:05:45 -216.014194 0.0616 BFGS: 193 00:05:45 -216.014208 0.0148 BFGS: 194 00:05:45 -216.014207 0.0614 BFGS: 195 00:05:45 -216.014209 0.0148 BFGS: 196 00:05:45 -216.014209 0.0640 BFGS: 197 00:05:45 -216.014206 0.0639 BFGS: 198 00:05:45 -216.014208 0.0636 BFGS: 199 00:05:46 -216.014112 0.0273 BFGS: 200 00:05:46 -216.014180 0.0200 BFGS: 201 00:05:46 -216.014177 0.0641 BFGS: 202 00:05:46 -216.014199 0.0169 BFGS: 203 00:05:46 -216.014205 0.0155 BFGS: 204 00:05:46 -216.014174 0.0638 BFGS: 205 00:05:46 -216.014208 0.0148 BFGS: 206 00:05:46 -216.014208 0.0614 BFGS: 207 00:05:46 -216.014208 0.0147 BFGS: 208 00:05:46 -216.014209 0.0639 BFGS: 209 00:05:46 -216.013941 0.0708 BFGS: 210 00:05:46 -216.014188 0.0647 BFGS: 211 00:05:46 -216.014062 0.0643 BFGS: 212 00:05:46 -216.014172 0.0645 BFGS: 213 00:05:46 -216.014156 0.0654 BFGS: 214 00:05:46 -216.014196 0.0646 BFGS: 215 00:05:46 -216.014204 0.0645 BFGS: 216 00:05:46 -216.014153 0.0660 BFGS: 217 00:05:47 -216.014207 0.0150 BFGS: 218 00:05:47 -216.014207 0.0640 BFGS: 219 00:05:47 -216.014208 0.0148 BFGS: 220 00:05:47 -216.014208 0.0147 BFGS: 221 00:05:47 -216.014137 0.0672 BFGS: 222 00:05:47 -216.014201 0.0643 BFGS: 223 00:05:47 -216.013991 0.0757 BFGS: 224 00:05:47 -216.014153 0.0688 BFGS: 225 00:05:47 -216.014130 0.0674 BFGS: 226 00:05:47 -216.014190 0.0182 BFGS: 227 00:05:47 -216.014201 0.0162 BFGS: 228 00:05:47 -216.014130 0.0673 BFGS: 229 00:05:47 -216.014206 0.0150 BFGS: 230 00:05:47 -216.014208 0.0641 BFGS: 231 00:05:47 -216.014206 0.0149 BFGS: 232 00:05:47 -216.014207 0.0148 BFGS: 233 00:05:47 -216.014114 0.0641 BFGS: 234 00:05:48 -216.014202 0.0642 BFGS: 235 00:05:48 -216.013920 0.0333 BFGS: 236 00:05:48 -216.014133 0.0229 BFGS: 237 00:05:48 -216.014108 0.0638 BFGS: 238 00:05:48 -216.014183 0.0187 BFGS: 239 00:05:48 -216.014198 0.0167 BFGS: 240 00:05:48 -216.014108 0.0644 BFGS: 241 00:05:48 -216.014204 0.0154 BFGS: 242 00:05:48 -216.014207 0.0145 BFGS: 243 00:05:48 -216.014105 0.0646 BFGS: 244 00:05:48 -216.014195 0.0644 BFGS: 245 00:05:48 -216.013866 0.0375 BFGS: 246 00:05:48 -216.014121 0.0245 BFGS: 247 00:05:48 -216.014094 0.0646 BFGS: 248 00:05:48 -216.014177 0.0194 BFGS: 249 00:05:49 -216.014195 0.0170 BFGS: 250 00:05:49 -216.014095 0.0650 BFGS: 251 00:05:49 -216.014202 0.0156 BFGS: 252 00:05:49 -216.014206 0.0146 BFGS: 253 00:05:49 -216.014089 0.0651 BFGS: 254 00:05:49 -216.014196 0.0644 BFGS: 255 00:05:49 -216.013809 0.0405 BFGS: 256 00:05:49 -216.014106 0.0258 BFGS: 257 00:05:49 -216.014080 0.0650 BFGS: 258 00:05:49 -216.014172 0.0201 BFGS: 259 00:05:50 -216.014192 0.0174 BFGS: 260 00:05:50 -216.014081 0.0654 BFGS: 261 00:05:50 -216.014201 0.0158 BFGS: 262 00:05:50 -216.014205 0.0147 BFGS: 263 00:05:50 -216.014074 0.0655 BFGS: 264 00:05:50 -216.014196 0.0644 BFGS: 265 00:05:50 -216.013749 0.0433 BFGS: 266 00:05:50 -216.014091 0.0270 BFGS: 267 00:05:50 -216.014064 0.0654 BFGS: 268 00:05:50 -216.014166 0.0207 BFGS: 269 00:05:50 -216.014189 0.0177 BFGS: 270 00:05:50 -216.014065 0.0658 BFGS: 271 00:05:51 -216.014199 0.0160 BFGS: 272 00:05:51 -216.014204 0.0148 BFGS: 273 00:05:51 -216.014058 0.0659 BFGS: 274 00:05:51 -216.014195 0.0644 BFGS: 275 00:05:51 -216.013686 0.0462 BFGS: 276 00:05:51 -216.014075 0.0282 BFGS: 277 00:05:51 -216.014047 0.0657 BFGS: 278 00:05:51 -216.014160 0.0213 BFGS: 279 00:05:51 -216.014186 0.0180 BFGS: 280 00:05:51 -216.014048 0.0662 BFGS: 281 00:05:51 -216.014198 0.0161 BFGS: 282 00:05:51 -216.014203 0.0148 BFGS: 283 00:05:51 -216.014041 0.0663 BFGS: 284 00:05:51 -216.014194 0.0645 BFGS: 285 00:05:52 -216.013619 0.0492 BFGS: 286 00:05:52 -216.014058 0.0295 BFGS: 287 00:05:52 -216.014029 0.0661 BFGS: 288 00:05:52 -216.014154 0.0219 BFGS: 289 00:05:52 -216.014184 0.0183 BFGS: 290 00:05:52 -216.014030 0.0666 BFGS: 291 00:05:52 -216.014196 0.0163 BFGS: 292 00:05:52 -216.014203 0.0149 BFGS: 293 00:05:52 -216.014023 0.0667 BFGS: 294 00:05:52 -216.014192 0.0645 BFGS: 295 00:05:52 -216.013550 0.0522 BFGS: 296 00:05:52 -216.014041 0.0307 BFGS: 297 00:05:52 -216.014010 0.0665 BFGS: 298 00:05:52 -216.014148 0.0225 BFGS: 299 00:05:52 -216.014181 0.0186 BFGS: 300 00:05:53 -216.014011 0.0670 BFGS: 301 00:05:53 -216.014195 0.0164 BFGS: 302 00:05:53 -216.014202 0.0149 BFGS: 303 00:05:53 -216.014005 0.0671 BFGS: 304 00:05:54 -216.014189 0.0646 BFGS: 305 00:05:54 -216.013478 0.0551 BFGS: 306 00:05:54 -216.014024 0.0318 BFGS: 307 00:05:54 -216.013990 0.0669 BFGS: 308 00:05:54 -216.014142 0.0230 BFGS: 309 00:05:54 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0.0206 BFGS: 4692 00:11:31 -216.013593 0.0745 BFGS: 4693 00:11:31 -216.014199 0.0157 BFGS: 4694 00:11:31 -216.014143 0.0628 BFGS: 4695 00:11:31 -216.014204 0.0151 BFGS: 4696 00:11:31 -216.014208 0.0146 BFGS: 4697 00:11:31 -216.013801 0.0700 BFGS: 4698 00:11:32 -216.014144 0.0627 BFGS: 4699 00:11:32 -216.011706 0.1042 BFGS: 4700 00:11:32 -216.013635 0.0488 BFGS: 4701 00:11:32 -216.013544 0.0745 BFGS: 4702 00:11:32 -216.014030 0.0295 BFGS: 4703 00:11:32 -216.014148 0.0209 BFGS: 4704 00:11:32 -216.013551 0.0749 BFGS: 4705 00:11:32 -216.014198 0.0158 BFGS: 4706 00:11:32 -216.014137 0.0629 BFGS: 4707 00:11:32 -216.014204 0.0152 BFGS: 4708 00:11:32 -216.014208 0.0146 BFGS: 4709 00:11:32 -216.013919 0.0675 BFGS: 4710 00:11:32 -216.014161 0.0623 BFGS: 4711 00:11:33 -216.011601 0.1054 BFGS: 4712 00:11:33 -216.013611 0.0496 BFGS: 4713 00:11:33 -216.013516 0.0747 BFGS: 4714 00:11:33 -216.014025 0.0298 BFGS: 4715 00:11:33 -216.014148 0.0209 BFGS: 4716 00:11:33 -216.013528 0.0751 BFGS: 4717 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0.0294 BFGS: 4743 00:11:35 -216.014149 0.0209 BFGS: 4744 00:11:35 -216.013535 0.0742 BFGS: 4745 00:11:35 -216.014199 0.0159 BFGS: 4746 00:11:35 -216.014131 0.0627 BFGS: 4747 00:11:35 -216.014205 0.0152 BFGS: 4748 00:11:35 -216.014204 0.0637 BFGS: 4749 00:11:35 -216.014206 0.0151 BFGS: 4750 00:11:35 -216.014207 0.0149 BFGS: 4751 00:11:35 -216.013759 0.0723 BFGS: 4752 00:11:36 -216.014141 0.0628 BFGS: 4753 00:11:36 -216.011853 0.1100 BFGS: 4754 00:11:36 -216.013660 0.0513 BFGS: 4755 00:11:36 -216.013553 0.0766 BFGS: 4756 00:11:36 -216.014036 0.0302 BFGS: 4757 00:11:36 -216.014149 0.0208 BFGS: 4758 00:11:36 -216.013556 0.0770 BFGS: 4759 00:11:36 -216.014197 0.0154 BFGS: 4760 00:11:36 -216.014139 0.0635 BFGS: 4761 00:11:36 -216.014203 0.0148 BFGS: 4762 00:11:36 -216.014207 0.0146 BFGS: 4763 00:11:36 -216.013744 0.0708 BFGS: 4764 00:11:36 -216.014135 0.0631 BFGS: 4765 00:11:36 -216.011590 0.1015 BFGS: 4766 00:11:36 -216.013614 0.0481 BFGS: 4767 00:11:36 -216.013515 0.0743 BFGS: 4768 00:11:36 -216.014026 0.0293 BFGS: 4769 00:11:36 -216.014148 0.0207 BFGS: 4770 00:11:37 -216.013526 0.0745 BFGS: 4771 00:11:37 -216.014199 0.0157 BFGS: 4772 00:11:37 -216.014130 0.0628 BFGS: 4773 00:11:37 -216.014205 0.0151 BFGS: 4774 00:11:37 -216.014203 0.0638 BFGS: 4775 00:11:37 -216.014206 0.0149 BFGS: 4776 00:11:37 -216.014207 0.0148 BFGS: 4777 00:11:37 -216.013748 0.0707 BFGS: 4778 00:11:37 -216.014139 0.0627 BFGS: 4779 00:11:37 -216.011651 0.1032 BFGS: 4780 00:11:37 -216.013623 0.0487 BFGS: 4781 00:11:37 -216.013514 0.0742 BFGS: 4782 00:11:37 -216.014028 0.0295 BFGS: 4783 00:11:37 -216.014148 0.0209 BFGS: 4784 00:11:37 -216.013527 0.0748 BFGS: 4785 00:11:38 -216.014199 0.0158 BFGS: 4786 00:11:38 -216.014130 0.0629 BFGS: 4787 00:11:38 -216.014205 0.0151 BFGS: 4788 00:11:38 -216.014204 0.0638 BFGS: 4789 00:11:38 -216.014206 0.0150 BFGS: 4790 00:11:38 -216.014206 0.0148 BFGS: 4791 00:11:38 -216.013768 0.0705 BFGS: 4792 00:11:38 -216.014142 0.0626 BFGS: 4793 00:11:38 -216.011835 0.0959 BFGS: 4794 00:11:38 -216.013657 0.0475 BFGS: 4795 00:11:38 -216.013575 0.0744 BFGS: 4796 00:11:38 -216.014035 0.0292 BFGS: 4797 00:11:38 -216.014148 0.0209 BFGS: 4798 00:11:38 -216.013567 0.0744 BFGS: 4799 00:11:38 -216.014197 0.0160 BFGS: 4800 00:11:38 -216.014143 0.0626 BFGS: 4801 00:11:38 -216.014203 0.0153 BFGS: 4802 00:11:38 -216.014207 0.0152 BFGS: 4803 00:11:39 -216.013686 0.0718 BFGS: 4804 00:11:39 -216.014129 0.0629 BFGS: 4805 00:11:39 -216.011640 0.1038 BFGS: 4806 00:11:39 -216.013624 0.0485 BFGS: 4807 00:11:39 -216.013514 0.0741 BFGS: 4808 00:11:39 -216.014028 0.0295 BFGS: 4809 00:11:39 -216.014148 0.0209 BFGS: 4810 00:11:39 -216.013525 0.0747 BFGS: 4811 00:11:39 -216.014199 0.0158 BFGS: 4812 00:11:39 -216.014130 0.0628 BFGS: 4813 00:11:39 -216.014205 0.0151 BFGS: 4814 00:11:39 -216.014203 0.0638 BFGS: 4815 00:11:39 -216.014206 0.0150 BFGS: 4816 00:11:39 -216.014206 0.0149 BFGS: 4817 00:11:39 -216.013766 0.0712 BFGS: 4818 00:11:39 -216.014141 0.0627 BFGS: 4819 00:11:39 -216.011748 0.1037 BFGS: 4820 00:11:39 -216.013638 0.0497 BFGS: 4821 00:11:40 -216.013552 0.0754 BFGS: 4822 00:11:40 -216.014030 0.0298 BFGS: 4823 00:11:40 -216.014148 0.0209 BFGS: 4824 00:11:40 -216.013551 0.0757 BFGS: 4825 00:11:40 -216.014198 0.0157 BFGS: 4826 00:11:40 -216.014138 0.0630 BFGS: 4827 00:11:40 -216.014204 0.0151 BFGS: 4828 00:11:40 -216.014208 0.0147 BFGS: 4829 00:11:40 -216.013772 0.0701 BFGS: 4830 00:11:40 -216.014139 0.0628 BFGS: 4831 00:11:40 -216.011620 0.1029 BFGS: 4832 00:11:40 -216.013619 0.0483 BFGS: 4833 00:11:40 -216.013514 0.0741 BFGS: 4834 00:11:40 -216.014027 0.0294 BFGS: 4835 00:11:40 -216.014148 0.0209 BFGS: 4836 00:11:40 -216.013523 0.0745 BFGS: 4837 00:11:41 -216.014199 0.0158 BFGS: 4838 00:11:41 -216.014130 0.0628 BFGS: 4839 00:11:41 -216.014205 0.0152 BFGS: 4840 00:11:41 -216.014204 0.0638 BFGS: 4841 00:11:41 -216.014206 0.0150 BFGS: 4842 00:11:41 -216.014206 0.0149 BFGS: 4843 00:11:41 -216.013757 0.0713 BFGS: 4844 00:11:41 -216.014141 0.0627 BFGS: 4845 00:11:41 -216.011804 0.1019 BFGS: 4846 00:11:41 -216.013648 0.0492 BFGS: 4847 00:11:41 -216.013556 0.0752 BFGS: 4848 00:11:41 -216.014032 0.0297 BFGS: 4849 00:11:41 -216.014148 0.0209 BFGS: 4850 00:11:41 -216.013555 0.0755 BFGS: 4851 00:11:41 -216.014198 0.0158 BFGS: 4852 00:11:41 -216.014140 0.0630 BFGS: 4853 00:11:41 -216.014203 0.0151 BFGS: 4854 00:11:41 -216.014208 0.0146 BFGS: 4855 00:11:42 -216.013731 0.0709 BFGS: 4856 00:11:42 -216.014134 0.0629 BFGS: 4857 00:11:42 -216.011619 0.1034 BFGS: 4858 00:11:42 -216.013620 0.0485 BFGS: 4859 00:11:42 -216.013516 0.0742 BFGS: 4860 00:11:42 -216.014027 0.0294 BFGS: 4861 00:11:42 -216.014148 0.0209 BFGS: 4862 00:11:42 -216.013524 0.0746 BFGS: 4863 00:11:42 -216.014199 0.0158 BFGS: 4864 00:11:42 -216.014130 0.0628 BFGS: 4865 00:11:42 -216.014205 0.0151 BFGS: 4866 00:11:42 -216.014204 0.0638 BFGS: 4867 00:11:42 -216.014206 0.0150 BFGS: 4868 00:11:42 -216.014206 0.0149 BFGS: 4869 00:11:42 -216.013758 0.0710 BFGS: 4870 00:11:42 -216.014141 0.0627 BFGS: 4871 00:11:42 -216.011829 0.1001 BFGS: 4872 00:11:42 -216.013653 0.0485 BFGS: 4873 00:11:43 -216.013560 0.0745 BFGS: 4874 00:11:43 -216.014033 0.0295 BFGS: 4875 00:11:43 -216.014148 0.0209 BFGS: 4876 00:11:43 -216.013558 0.0751 BFGS: 4877 00:11:43 -216.014198 0.0159 BFGS: 4878 00:11:43 -216.014141 0.0628 BFGS: 4879 00:11:43 -216.014203 0.0152 BFGS: 4880 00:11:43 -216.014207 0.0146 BFGS: 4881 00:11:43 -216.013710 0.0715 BFGS: 4882 00:11:43 -216.014131 0.0629 BFGS: 4883 00:11:43 -216.011611 0.1047 BFGS: 4884 00:11:43 -216.013619 0.0488 BFGS: 4885 00:11:43 -216.013516 0.0745 BFGS: 4886 00:11:43 -216.014027 0.0296 BFGS: 4887 00:11:43 -216.014148 0.0209 BFGS: 4888 00:11:43 -216.013523 0.0748 BFGS: 4889 00:11:43 -216.014199 0.0158 BFGS: 4890 00:11:44 -216.014130 0.0629 BFGS: 4891 00:11:44 -216.014205 0.0151 BFGS: 4892 00:11:44 -216.014204 0.0638 BFGS: 4893 00:11:44 -216.014206 0.0150 BFGS: 4894 00:11:44 -216.014206 0.0148 BFGS: 4895 00:11:44 -216.013755 0.0706 BFGS: 4896 00:11:44 -216.014141 0.0626 BFGS: 4897 00:11:44 -216.011828 0.0977 BFGS: 4898 00:11:44 -216.013652 0.0478 BFGS: 4899 00:11:44 -216.013553 0.0741 BFGS: 4900 00:11:44 -216.014033 0.0292 BFGS: 4901 00:11:44 -216.014148 0.0209 BFGS: 4902 00:11:44 -216.013555 0.0746 BFGS: 4903 00:11:44 -216.014198 0.0160 BFGS: 4904 00:11:44 -216.014140 0.0627 BFGS: 4905 00:11:45 -216.014203 0.0153 BFGS: 4906 00:11:45 -216.014207 0.0147 BFGS: 4907 00:11:45 -216.013725 0.0711 BFGS: 4908 00:11:45 -216.014133 0.0628 BFGS: 4909 00:11:45 -216.011596 0.1053 BFGS: 4910 00:11:45 -216.013615 0.0491 BFGS: 4911 00:11:45 -216.013514 0.0746 BFGS: 4912 00:11:45 -216.014026 0.0297 BFGS: 4913 00:11:45 -216.014148 0.0209 BFGS: 4914 00:11:45 -216.013521 0.0749 BFGS: 4915 00:11:45 -216.014199 0.0158 BFGS: 4916 00:11:45 -216.014130 0.0629 BFGS: 4917 00:11:45 -216.014205 0.0151 BFGS: 4918 00:11:45 -216.014204 0.0638 BFGS: 4919 00:11:45 -216.014206 0.0150 BFGS: 4920 00:11:45 -216.014206 0.0149 BFGS: 4921 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0.0751 BFGS: 5763 00:12:41 -216.014199 0.0159 BFGS: 5764 00:12:41 -216.014125 0.0628 BFGS: 5765 00:12:41 -216.014205 0.0152 BFGS: 5766 00:12:41 -216.014203 0.0637 BFGS: 5767 00:12:41 -216.014206 0.0151 BFGS: 5768 00:12:41 -216.014207 0.0149 BFGS: 5769 00:12:41 -216.013750 0.0714 BFGS: 5770 00:12:41 -216.014139 0.0627 BFGS: 5771 00:12:41 -216.011772 0.1096 BFGS: 5772 00:12:41 -216.013646 0.0506 BFGS: 5773 00:12:41 -216.013542 0.0753 BFGS: 5774 00:12:41 -216.014033 0.0301 BFGS: 5775 00:12:41 -216.014148 0.0210 BFGS: 5776 00:12:41 -216.013548 0.0757 BFGS: 5777 00:12:42 -216.014197 0.0158 BFGS: 5778 00:12:42 -216.014139 0.0630 BFGS: 5779 00:12:42 -216.014203 0.0151 BFGS: 5780 00:12:42 -216.014207 0.0147 BFGS: 5781 00:12:42 -216.013718 0.0717 BFGS: 5782 00:12:42 -216.014132 0.0630 BFGS: 5783 00:12:42 -216.011504 0.1103 BFGS: 5784 00:12:42 -216.013594 0.0506 BFGS: 5785 00:12:42 -216.013489 0.0754 BFGS: 5786 00:12:42 -216.014018 0.0301 BFGS: 5787 00:12:42 -216.014144 0.0210 BFGS: 5788 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0.0278 BFGS: 5865 00:12:47 -216.014150 0.0202 BFGS: 5866 00:12:47 -216.013575 0.0725 BFGS: 5867 00:12:47 -216.014198 0.0160 BFGS: 5868 00:12:48 -216.014143 0.0622 BFGS: 5869 00:12:48 -216.014203 0.0154 BFGS: 5870 00:12:48 -216.014207 0.0149 BFGS: 5871 00:12:48 -216.013709 0.0706 BFGS: 5872 00:12:48 -216.014132 0.0626 BFGS: 5873 00:12:48 -216.011551 0.0982 BFGS: 5874 00:12:48 -216.013599 0.0480 BFGS: 5875 00:12:48 -216.013501 0.0740 BFGS: 5876 00:12:48 -216.014019 0.0294 BFGS: 5877 00:12:48 -216.014144 0.0210 BFGS: 5878 00:12:48 -216.013508 0.0740 BFGS: 5879 00:12:48 -216.014198 0.0162 BFGS: 5880 00:12:48 -216.014134 0.0624 BFGS: 5881 00:12:48 -216.014203 0.0155 BFGS: 5882 00:12:48 -216.014208 0.0148 BFGS: 5883 00:12:48 -216.013755 0.0700 BFGS: 5884 00:12:49 -216.014136 0.0625 BFGS: 5885 00:12:49 -216.011416 0.1062 BFGS: 5886 00:12:49 -216.013573 0.0501 BFGS: 5887 00:12:49 -216.013463 0.0747 BFGS: 5888 00:12:49 -216.014013 0.0302 BFGS: 5889 00:12:49 -216.014144 0.0212 BFGS: 5890 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00:16:20 -216.013329 0.0759 BFGS: 9665 00:16:20 -216.014194 0.0160 BFGS: 9666 00:16:20 -216.014116 0.0629 BFGS: 9667 00:16:20 -216.014201 0.0153 BFGS: 9668 00:16:20 -216.014206 0.0150 BFGS: 9669 00:16:20 -216.013547 0.0725 BFGS: 9670 00:16:20 -216.014107 0.0631 BFGS: 9671 00:16:20 -216.010812 0.1094 BFGS: 9672 00:16:21 -216.013431 0.0519 BFGS: 9673 00:16:21 -216.013292 0.0760 BFGS: 9674 00:16:21 -216.013968 0.0309 BFGS: 9675 00:16:21 -216.014127 0.0214 BFGS: 9676 00:16:21 -216.013309 0.0762 BFGS: 9677 00:16:21 -216.014194 0.0159 BFGS: 9678 00:16:21 -216.014110 0.0630 BFGS: 9679 00:16:21 -216.014202 0.0152 BFGS: 9680 00:16:21 -216.014206 0.0639 BFGS: 9681 00:16:21 -216.014203 0.0151 BFGS: 9682 00:16:21 -216.014204 0.0151 BFGS: 9683 00:16:21 -216.013504 0.0729 BFGS: 9684 00:16:21 -216.014105 0.0631 BFGS: 9685 00:16:21 -216.011056 0.1071 BFGS: 9686 00:16:21 -216.013454 0.0503 BFGS: 9687 00:16:21 -216.013265 0.0751 BFGS: 9688 00:16:21 -216.013975 0.0301 BFGS: 9689 00:16:21 -216.014132 0.0209 BFGS: 9690 00:16:22 -216.013285 0.0760 BFGS: 9691 00:16:22 -216.014198 0.0155 BFGS: 9692 00:16:22 -216.014093 0.0633 BFGS: 9693 00:16:22 -216.014206 0.0150 BFGS: 9694 00:16:22 -216.014194 0.0615 BFGS: 9695 00:16:22 -216.014207 0.0150 BFGS: 9696 00:16:22 -216.014205 0.0639 BFGS: 9697 00:16:22 -216.014207 0.0150 BFGS: 9698 00:16:22 -216.014207 0.0638 BFGS: 9699 00:16:22 -216.014207 0.0638 BFGS: 9700 00:16:22 -216.013262 0.0584 BFGS: 9701 00:16:22 -216.013952 0.0325 BFGS: 9702 00:16:22 -216.013558 0.0722 BFGS: 9703 00:16:22 -216.014116 0.0223 BFGS: 9704 00:16:22 -216.014179 0.0174 BFGS: 9705 00:16:22 -216.013573 0.0723 BFGS: 9706 00:16:22 -216.014195 0.0615 BFGS: 9707 00:16:22 -216.011914 0.0879 BFGS: 9708 00:16:23 -216.013643 0.0453 BFGS: 9709 00:16:23 -216.013539 0.0725 BFGS: 9710 00:16:23 -216.014026 0.0278 BFGS: 9711 00:16:23 -216.014142 0.0204 BFGS: 9712 00:16:23 -216.013560 0.0725 BFGS: 9713 00:16:23 -216.014190 0.0163 BFGS: 9714 00:16:23 -216.014163 0.0621 BFGS: 9715 00:16:23 -216.014196 0.0158 BFGS: 9716 00:16:23 -216.014200 0.0154 BFGS: 9717 00:16:23 -216.013575 0.0725 BFGS: 9718 00:16:23 -216.014134 0.0627 BFGS: 9719 00:16:23 -216.011611 0.0912 BFGS: 9720 00:16:23 -216.013593 0.0459 BFGS: 9721 00:16:23 -216.013491 0.0731 BFGS: 9722 00:16:23 -216.014011 0.0288 BFGS: 9723 00:16:23 -216.014137 0.0208 BFGS: 9724 00:16:23 -216.013506 0.0738 BFGS: 9725 00:16:23 -216.014191 0.0162 BFGS: 9726 00:16:23 -216.014155 0.0624 BFGS: 9727 00:16:24 -216.014197 0.0156 BFGS: 9728 00:16:24 -216.014201 0.0152 BFGS: 9729 00:16:24 -216.013533 0.0732 BFGS: 9730 00:16:24 -216.014126 0.0629 BFGS: 9731 00:16:24 -216.011364 0.0969 BFGS: 9732 00:16:24 -216.013544 0.0480 BFGS: 9733 00:16:24 -216.013435 0.0743 BFGS: 9734 00:16:24 -216.013996 0.0296 BFGS: 9735 00:16:24 -216.014133 0.0211 BFGS: 9736 00:16:24 -216.013450 0.0746 BFGS: 9737 00:16:24 -216.014190 0.0162 BFGS: 9738 00:16:24 -216.014146 0.0625 BFGS: 9739 00:16:24 -216.014197 0.0156 BFGS: 9740 00:16:24 -216.014202 0.0152 BFGS: 9741 00:16:24 -216.013496 0.0736 BFGS: 9742 00:16:24 -216.014117 0.0630 BFGS: 9743 00:16:24 -216.011143 0.1015 BFGS: 9744 00:16:24 -216.013500 0.0495 BFGS: 9745 00:16:25 -216.013381 0.0750 BFGS: 9746 00:16:25 -216.013984 0.0302 BFGS: 9747 00:16:25 -216.014130 0.0212 BFGS: 9748 00:16:25 -216.013398 0.0753 BFGS: 9749 00:16:25 -216.014191 0.0161 BFGS: 9750 00:16:25 -216.014135 0.0627 BFGS: 9751 00:16:25 -216.014198 0.0155 BFGS: 9752 00:16:25 -216.014203 0.0152 BFGS: 9753 00:16:25 -216.013477 0.0738 BFGS: 9754 00:16:25 -216.014109 0.0632 BFGS: 9755 00:16:25 -216.010953 0.1057 BFGS: 9756 00:16:25 -216.013463 0.0508 BFGS: 9757 00:16:25 -216.013338 0.0756 BFGS: 9758 00:16:25 -216.013975 0.0306 BFGS: 9759 00:16:25 -216.014127 0.0213 BFGS: 9760 00:16:25 -216.013355 0.0758 BFGS: 9761 00:16:25 -216.014192 0.0160 BFGS: 9762 00:16:26 -216.014125 0.0629 BFGS: 9763 00:16:26 -216.014199 0.0153 BFGS: 9764 00:16:26 -216.014204 0.0151 BFGS: 9765 00:16:26 -216.013484 0.0736 BFGS: 9766 00:16:26 -216.014103 0.0632 BFGS: 9767 00:16:26 -216.010810 0.1090 BFGS: 9768 00:16:26 -216.013436 0.0516 BFGS: 9769 00:16:26 -216.013306 0.0760 BFGS: 9770 00:16:26 -216.013968 0.0308 BFGS: 9771 00:16:26 -216.014126 0.0214 BFGS: 9772 00:16:26 -216.013322 0.0762 BFGS: 9773 00:16:26 -216.014193 0.0159 BFGS: 9774 00:16:26 -216.014115 0.0630 BFGS: 9775 00:16:26 -216.014200 0.0152 BFGS: 9776 00:16:26 -216.014206 0.0150 BFGS: 9777 00:16:27 -216.013543 0.0726 BFGS: 9778 00:16:27 -216.014106 0.0632 BFGS: 9779 00:16:27 -216.010832 0.1093 BFGS: 9780 00:16:27 -216.013430 0.0517 BFGS: 9781 00:16:27 -216.013285 0.0761 BFGS: 9782 00:16:27 -216.013967 0.0308 BFGS: 9783 00:16:27 -216.014127 0.0213 BFGS: 9784 00:16:27 -216.013301 0.0763 BFGS: 9785 00:16:27 -216.014195 0.0157 BFGS: 9786 00:16:27 -216.014106 0.0632 BFGS: 9787 00:16:27 -216.014202 0.0152 BFGS: 9788 00:16:27 -216.014204 0.0640 BFGS: 9789 00:16:27 -216.014204 0.0151 BFGS: 9790 00:16:27 -216.014205 0.0151 BFGS: 9791 00:16:27 -216.013543 0.0719 BFGS: 9792 00:16:27 -216.014108 0.0631 BFGS: 9793 00:16:27 -216.011017 0.1061 BFGS: 9794 00:16:27 -216.013455 0.0489 BFGS: 9795 00:16:27 -216.013279 0.0741 BFGS: 9796 00:16:28 -216.013976 0.0294 BFGS: 9797 00:16:28 -216.014133 0.0206 BFGS: 9798 00:16:28 -216.013298 0.0753 BFGS: 9799 00:16:28 -216.014199 0.0153 BFGS: 9800 00:16:28 -216.014092 0.0633 BFGS: 9801 00:16:28 -216.014206 0.0150 BFGS: 9802 00:16:28 -216.014192 0.0615 BFGS: 9803 00:16:28 -216.014206 0.0639 BFGS: 9804 00:16:28 -216.014199 0.0154 BFGS: 9805 00:16:28 -216.014201 0.0152 BFGS: 9806 00:16:28 -216.013432 0.0736 BFGS: 9807 00:16:28 -216.014103 0.0631 BFGS: 9808 00:16:28 -216.010845 0.1100 BFGS: 9809 00:16:28 -216.013443 0.0492 BFGS: 9810 00:16:28 -216.013298 0.0739 BFGS: 9811 00:16:28 -216.013974 0.0295 BFGS: 9812 00:16:28 -216.014132 0.0207 BFGS: 9813 00:16:28 -216.013315 0.0750 BFGS: 9814 00:16:28 -216.014198 0.0155 BFGS: 9815 00:16:29 -216.014099 0.0631 BFGS: 9816 00:16:29 -216.014205 0.0149 BFGS: 9817 00:16:29 -216.014198 0.0614 BFGS: 9818 00:16:29 -216.014206 0.0149 BFGS: 9819 00:16:29 -216.014207 0.0148 BFGS: 9820 00:16:29 -216.013906 0.0661 BFGS: 9821 00:16:29 -216.014158 0.0621 BFGS: 9822 00:16:29 -216.011116 0.1039 BFGS: 9823 00:16:29 -216.013484 0.0466 BFGS: 9824 00:16:29 -216.013350 0.0718 BFGS: 9825 00:16:29 -216.013986 0.0286 BFGS: 9826 00:16:29 -216.014135 0.0204 BFGS: 9827 00:16:29 -216.013368 0.0737 BFGS: 9828 00:16:29 -216.014197 0.0156 BFGS: 9829 00:16:29 -216.014110 0.0629 BFGS: 9830 00:16:29 -216.014204 0.0152 BFGS: 9831 00:16:29 -216.014201 0.0640 BFGS: 9832 00:16:29 -216.014206 0.0151 BFGS: 9833 00:16:30 -216.014207 0.0150 BFGS: 9834 00:16:30 -216.013759 0.0681 BFGS: 9835 00:16:30 -216.014137 0.0624 BFGS: 9836 00:16:30 -216.011179 0.0979 BFGS: 9837 00:16:30 -216.013502 0.0450 BFGS: 9838 00:16:30 -216.013386 0.0711 BFGS: 9839 00:16:30 -216.013989 0.0281 BFGS: 9840 00:16:30 -216.014134 0.0205 BFGS: 9841 00:16:30 -216.013395 0.0726 BFGS: 9842 00:16:30 -216.014196 0.0159 BFGS: 9843 00:16:30 -216.014120 0.0625 BFGS: 9844 00:16:30 -216.014203 0.0153 BFGS: 9845 00:16:30 -216.014206 0.0637 BFGS: 9846 00:16:30 -216.014205 0.0151 BFGS: 9847 00:16:30 -216.014206 0.0150 BFGS: 9848 00:16:30 -216.013647 0.0711 BFGS: 9849 00:16:30 -216.014128 0.0626 BFGS: 9850 00:16:30 -216.011635 0.1006 BFGS: 9851 00:16:31 -216.013589 0.0457 BFGS: 9852 00:16:31 -216.013460 0.0722 BFGS: 9853 00:16:31 -216.014008 0.0284 BFGS: 9854 00:16:31 -216.014136 0.0205 BFGS: 9855 00:16:31 -216.013453 0.0740 BFGS: 9856 00:16:31 -216.014192 0.0167 BFGS: 9857 00:16:31 -216.014139 0.0628 BFGS: 9858 00:16:31 -216.014198 0.0164 BFGS: 9859 00:16:31 -216.014203 0.0161 BFGS: 9860 00:16:31 -216.013485 0.0722 BFGS: 9861 00:16:31 -216.014106 0.0630 BFGS: 9862 00:16:31 -216.010989 0.1036 BFGS: 9863 00:16:31 -216.013470 0.0467 BFGS: 9864 00:16:31 -216.013341 0.0722 BFGS: 9865 00:16:31 -216.013979 0.0288 BFGS: 9866 00:16:31 -216.014131 0.0207 BFGS: 9867 00:16:31 -216.013356 0.0734 BFGS: 9868 00:16:31 -216.014195 0.0159 BFGS: 9869 00:16:31 -216.014115 0.0626 BFGS: 9870 00:16:32 -216.014202 0.0153 BFGS: 9871 00:16:32 -216.014206 0.0637 BFGS: 9872 00:16:32 -216.014204 0.0151 BFGS: 9873 00:16:32 -216.014205 0.0150 BFGS: 9874 00:16:32 -216.013541 0.0720 BFGS: 9875 00:16:32 -216.014110 0.0628 BFGS: 9876 00:16:32 -216.010738 0.1123 BFGS: 9877 00:16:32 -216.013423 0.0510 BFGS: 9878 00:16:32 -216.013309 0.0745 BFGS: 9879 00:16:32 -216.013966 0.0305 BFGS: 9880 00:16:32 -216.014127 0.0214 BFGS: 9881 00:16:32 -216.013315 0.0754 BFGS: 9882 00:16:32 -216.014195 0.0159 BFGS: 9883 00:16:32 -216.014110 0.0629 BFGS: 9884 00:16:32 -216.014203 0.0152 BFGS: 9885 00:16:32 -216.014206 0.0638 BFGS: 9886 00:16:32 -216.014204 0.0150 BFGS: 9887 00:16:32 -216.014205 0.0149 BFGS: 9888 00:16:33 -216.013539 0.0715 BFGS: 9889 00:16:33 -216.014110 0.0628 BFGS: 9890 00:16:33 -216.011789 0.0894 BFGS: 9891 00:16:33 -216.013551 0.0470 BFGS: 9892 00:16:33 -216.013282 0.0745 BFGS: 9893 00:16:33 -216.013999 0.0285 BFGS: 9894 00:16:33 -216.014139 0.0204 BFGS: 9895 00:16:33 -216.013306 0.0745 BFGS: 9896 00:16:33 -216.014200 0.0155 BFGS: 9897 00:16:33 -216.014091 0.0629 BFGS: 9898 00:16:33 -216.014206 0.0635 BFGS: 9899 00:16:33 -216.014155 0.0194 BFGS: 9900 00:16:33 -216.014173 0.0180 BFGS: 9901 00:16:33 -216.013316 0.0748 BFGS: 9902 00:16:33 -216.014165 0.0618 BFGS: 9903 00:16:33 -216.011355 0.0993 BFGS: 9904 00:16:33 -216.013474 0.0491 BFGS: 9905 00:16:33 -216.013269 0.0744 BFGS: 9906 00:16:33 -216.013978 0.0298 BFGS: 9907 00:16:34 -216.014132 0.0210 BFGS: 9908 00:16:34 -216.013290 0.0752 BFGS: 9909 00:16:34 -216.014198 0.0158 BFGS: 9910 00:16:34 -216.014095 0.0629 BFGS: 9911 00:16:34 -216.014205 0.0150 BFGS: 9912 00:16:34 -216.014196 0.0612 BFGS: 9913 00:16:34 -216.014206 0.0149 BFGS: 9914 00:16:34 -216.014207 0.0636 BFGS: 9915 00:16:34 -216.014207 0.0148 BFGS: 9916 00:16:34 -216.014207 0.0148 BFGS: 9917 00:16:34 -216.014104 0.0646 BFGS: 9918 00:16:34 -216.014195 0.0615 BFGS: 9919 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0.0710 BFGS: 9945 00:16:36 -216.014183 0.0174 BFGS: 9946 00:16:36 -216.014203 0.0161 BFGS: 9947 00:16:36 -216.013758 0.0723 BFGS: 9948 00:16:36 -216.014169 0.0632 BFGS: 9949 00:16:36 -216.012212 0.0912 BFGS: 9950 00:16:36 -216.013719 0.0441 BFGS: 9951 00:16:36 -216.013736 0.0726 BFGS: 9952 00:16:36 -216.014036 0.0279 BFGS: 9953 00:16:36 -216.014136 0.0208 BFGS: 9954 00:16:36 -216.013699 0.0733 BFGS: 9955 00:16:36 -216.014183 0.0175 BFGS: 9956 00:16:36 -216.014207 0.0155 BFGS: 9957 00:16:36 -216.013664 0.0734 BFGS: 9958 00:16:36 -216.014137 0.0638 BFGS: 9959 00:16:36 -216.011759 0.0970 BFGS: 9960 00:16:36 -216.013629 0.0469 BFGS: 9961 00:16:36 -216.013604 0.0746 BFGS: 9962 00:16:37 -216.014013 0.0289 BFGS: 9963 00:16:37 -216.014132 0.0209 BFGS: 9964 00:16:37 -216.013577 0.0748 BFGS: 9965 00:16:37 -216.014186 0.0172 BFGS: 9966 00:16:37 -216.014189 0.0627 BFGS: 9967 00:16:37 -216.014192 0.0166 BFGS: 9968 00:16:37 -216.014196 0.0161 BFGS: 9969 00:16:37 -216.013471 0.0743 BFGS: 9970 00:16:37 -216.014135 0.0633 BFGS: 9971 00:16:37 -216.011355 0.0974 BFGS: 9972 00:16:37 -216.013538 0.0491 BFGS: 9973 00:16:37 -216.013398 0.0744 BFGS: 9974 00:16:37 -216.013999 0.0296 BFGS: 9975 00:16:37 -216.014137 0.0207 BFGS: 9976 00:16:37 -216.013423 0.0748 BFGS: 9977 00:16:37 -216.014195 0.0156 BFGS: 9978 00:16:37 -216.014132 0.0630 BFGS: 9979 00:16:37 -216.014201 0.0150 BFGS: 9980 00:16:37 -216.014206 0.0149 BFGS: 9981 00:16:38 -216.013558 0.0719 BFGS: 9982 00:16:38 -216.014115 0.0631 BFGS: 9983 00:16:38 -216.011724 0.0941 BFGS: 9984 00:16:38 -216.013580 0.0484 BFGS: 9985 00:16:38 -216.013380 0.0746 BFGS: 9986 00:16:38 -216.014008 0.0291 BFGS: 9987 00:16:38 -216.014140 0.0202 BFGS: 9988 00:16:38 -216.013407 0.0741 BFGS: 9989 00:16:38 -216.014195 0.0157 BFGS: 9990 00:16:38 -216.014124 0.0628 BFGS: 9991 00:16:38 -216.014201 0.0152 BFGS: 9992 00:16:38 -216.014206 0.0150 BFGS: 9993 00:16:38 -216.013622 0.0709 BFGS: 9994 00:16:38 -216.014118 0.0629 BFGS: 9995 00:16:39 -216.011497 0.0958 BFGS: 9996 00:16:39 -216.013528 0.0489 BFGS: 9997 00:16:39 -216.013333 0.0750 BFGS: 9998 00:16:39 -216.013992 0.0292 BFGS: 9999 00:16:39 -216.014134 0.0208 BFGS: 10000 00:16:39 -216.013357 0.0749 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.05779503314353407 eV/Angstrom Maximum stress component: 0.0010385933913253365 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', 'O', 'O', 'O', 'O', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V'] basis = [[0.99468228 0.70469048 0.9940492 ] [0.00531772 0.29530952 0.0059508 ] [0.50539074 0.20478101 0.00602706] [0.49460926 0.79521899 0.99397294] [0.61114683 0.45395388 0.48097944] [0.38885317 0.54604612 0.51902056] [0.88883936 0.95377755 0.5187549 ] [0.11116064 0.04622245 0.4812451 ] [0.27959085 0.76053293 0.97100786] [0.72040915 0.23946707 0.02899214] [0.22047293 0.26045254 0.02920169] [0.77952707 0.73954746 0.97079831] [0.76526983 0.54873426 0.24869647] [0.23473017 0.45126574 0.75130353] [0.73484571 0.04877681 0.75135663] [0.26515429 0.95122319 0.24864337] [0.2245703 0.59926912 0.52647923] [0.7754297 0.40073088 0.47352077] [0.27532472 0.09920755 0.47347942] [0.72467528 0.90079245 0.52652058] [0.78066593 0.22602164 0.6463057 ] [0.21933407 0.77397836 0.3536943 ] [0.71927245 0.72594019 0.35355463] [0.28072755 0.27405981 0.64644537] [0.65187122 0.55685437 0.91579643] [0.34812878 0.44314563 0.08420357] [0.84821196 0.05690641 0.08426985] [0.15178804 0.94309359 0.91573015] [0.25977271 0.77626746 0.73907697] [0.74022729 0.22373254 0.26092303] [0.24016749 0.27621495 0.2609427 ] [0.75983251 0.72378505 0.7390573 ]] cellpar = Cell([[15.679008273323603, 0.0053526182768716905, -0.913110440005879], [-0.0030135472704052005, 5.819199506973836, -0.00026563344490932985], [-8.474667827282799, -0.002824587233777529, 4.979817426351401]]) forces = [[-4.99991578e-03 -4.87133492e-03 -1.93334000e-02] [ 4.99991578e-03 4.87133492e-03 1.93334000e-02] [ 4.04609838e-03 -4.81152325e-03 1.72756302e-02] [-4.04609838e-03 4.81152325e-03 -1.72756302e-02] [ 4.62649168e-02 3.13592419e-02 -1.39812745e-02] [-4.62649168e-02 -3.13592419e-02 1.39812745e-02] [-5.77950331e-02 3.69983139e-02 1.69974065e-02] [ 5.77950331e-02 -3.69983139e-02 -1.69974065e-02] [-4.66319166e-04 8.46528595e-05 -6.69767590e-04] [ 4.66319166e-04 -8.46528595e-05 6.69767590e-04] [ 5.69989701e-04 3.99475469e-04 7.56136514e-06] [-5.69989701e-04 -3.99475469e-04 -7.56136514e-06] [ 2.59841171e-03 -1.93836345e-03 -1.78288853e-03] [-2.59841171e-03 1.93836345e-03 1.78288853e-03] [-4.04011107e-03 -2.67219184e-03 1.75058006e-03] [ 4.04011107e-03 2.67219184e-03 -1.75058006e-03] [-2.08123999e-03 1.15503328e-03 1.13504733e-03] [ 2.08123999e-03 -1.15503328e-03 -1.13504733e-03] [ 3.92939689e-03 2.32304023e-03 -6.30147246e-04] [-3.92939689e-03 -2.32304023e-03 6.30147246e-04] [ 5.24479476e-02 -3.99015526e-02 -2.66875783e-02] [-5.24479476e-02 3.99015526e-02 2.66875783e-02] [-4.31468140e-02 -3.12141349e-02 2.64276791e-02] [ 4.31468140e-02 3.12141349e-02 -2.64276791e-02] [ 4.89804580e-03 -1.42613710e-03 3.04894495e-03] [-4.89804580e-03 1.42613710e-03 -3.04894495e-03] [-5.23442799e-03 -2.73568790e-03 2.62688424e-04] [ 5.23442799e-03 2.73568790e-03 -2.62688424e-04] [-9.97055446e-03 2.74391073e-03 -1.27165024e-03] [ 9.97055446e-03 -2.74391073e-03 1.27165024e-03] [ 1.17612601e-02 -1.62736401e-03 -1.28697851e-03] [-1.17612601e-02 1.62736401e-03 1.28697851e-03]] stress = [ 1.03859339e-03 -7.70187910e-05 -4.84833254e-04 -2.10555441e-05 -4.16161948e-04 -2.99241835e-05] energy per atom = -6.683491412561457 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A5B3_aP32_2_10i_6i, while relaxed is A5B3_mP32_14_5e_3e. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.