element(s): ['Ge'] AFLOW prototype label: A_oC16_64_df Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['9.255', '0.63110751', '0.61425176', '0.78394007', '0.17901152', '0.65407394'] Parameter values for parameter set 1: ['10.0544', '0.52532225', '0.57835376', '0.22161517', '0.98590077', '0.72156659'] model name: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge', 'Ge'] representative atom coordinates = [[0.78394007 0. 0. ] [0. 0.17901152 0.65407394]] spacegroup = 64 cell = [[9.255, 0, 0], [0, 5.8409, 0], [0, 0, 5.6849]] ========================================= Step Time Energy fmax BFGS: 0 16:28:12 3.179973 6.4818 BFGS: 1 16:28:12 1.188718 5.6400 BFGS: 2 16:28:12 -0.272612 4.6236 BFGS: 3 16:28:12 -1.203185 3.6329 BFGS: 4 16:28:12 -1.803826 2.7583 BFGS: 5 16:28:12 -2.205566 2.0025 BFGS: 6 16:28:12 -2.474996 1.3525 BFGS: 7 16:28:12 -2.649987 0.9083 BFGS: 8 16:28:12 -2.755547 0.5737 BFGS: 9 16:28:12 -2.809130 0.3285 BFGS: 10 16:28:12 -2.836856 0.3069 BFGS: 11 16:28:12 -2.872169 0.3332 BFGS: 12 16:28:12 -2.915395 0.3490 BFGS: 13 16:28:12 -2.962078 0.4382 BFGS: 14 16:28:12 -3.014970 0.5091 BFGS: 15 16:28:12 -3.075647 0.5554 BFGS: 16 16:28:12 -3.146926 0.5788 BFGS: 17 16:28:12 -3.231742 0.5895 BFGS: 18 16:28:12 -3.315180 0.7242 BFGS: 19 16:28:12 -3.399649 0.8240 BFGS: 20 16:28:12 -3.484753 0.8936 BFGS: 21 16:28:12 -3.569005 0.9372 BFGS: 22 16:28:12 -3.650923 0.9580 BFGS: 23 16:28:12 -3.730647 0.9643 BFGS: 24 16:28:12 -3.807552 0.9586 BFGS: 25 16:28:12 -3.881266 0.9437 BFGS: 26 16:28:12 -3.951617 0.9224 BFGS: 27 16:28:12 -4.018576 0.8970 BFGS: 28 16:28:12 -4.082225 0.8695 BFGS: 29 16:28:12 -4.142725 0.8413 BFGS: 30 16:28:12 -4.200288 0.8136 BFGS: 31 16:28:12 -4.255160 0.7873 BFGS: 32 16:28:12 -4.307596 0.7629 BFGS: 33 16:28:12 -4.357856 0.7407 BFGS: 34 16:28:12 -4.406187 0.7210 BFGS: 35 16:28:12 -4.452824 0.7037 BFGS: 36 16:28:12 -4.497980 0.6887 BFGS: 37 16:28:12 -4.541848 0.6759 BFGS: 38 16:28:12 -4.584598 0.6651 BFGS: 39 16:28:12 -4.626379 0.6560 BFGS: 40 16:28:12 -4.667321 0.6486 BFGS: 41 16:28:12 -4.707534 0.6425 BFGS: 42 16:28:12 -4.747113 0.6376 BFGS: 43 16:28:12 -4.786136 0.6337 BFGS: 44 16:28:12 -4.824670 0.6306 BFGS: 45 16:28:12 -4.862770 0.6282 BFGS: 46 16:28:12 -4.900483 0.6263 BFGS: 47 16:28:12 -4.937845 0.6249 BFGS: 48 16:28:12 -4.974889 0.6238 BFGS: 49 16:28:12 -5.011640 0.6230 BFGS: 50 16:28:12 -5.048118 0.6224 BFGS: 51 16:28:12 -5.084341 0.6219 BFGS: 52 16:28:12 -5.120324 0.6216 BFGS: 53 16:28:12 -5.156078 0.6213 BFGS: 54 16:28:12 -5.191613 0.6211 BFGS: 55 16:28:12 -5.226937 0.6209 BFGS: 56 16:28:12 -5.262057 0.6207 BFGS: 57 16:28:12 -5.296980 0.6206 BFGS: 58 16:28:12 -5.331710 0.6204 BFGS: 59 16:28:12 -5.366252 0.6203 BFGS: 60 16:28:12 -5.400610 0.6201 BFGS: 61 16:28:12 -5.434788 0.6199 BFGS: 62 16:28:12 -5.468790 0.6197 BFGS: 63 16:28:12 -5.502618 0.6195 BFGS: 64 16:28:12 -5.536275 0.6193 BFGS: 65 16:28:12 -5.569764 0.6190 BFGS: 66 16:28:12 -5.603087 0.6187 BFGS: 67 16:28:12 -5.636248 0.6184 BFGS: 68 16:28:12 -5.669248 0.6181 BFGS: 69 16:28:12 -5.702090 0.6177 BFGS: 70 16:28:12 -5.734775 0.6173 BFGS: 71 16:28:12 -5.767306 0.6169 BFGS: 72 16:28:12 -5.799685 0.6165 BFGS: 73 16:28:13 -5.831914 0.6161 BFGS: 74 16:28:13 -5.863995 0.6156 BFGS: 75 16:28:13 -5.895929 0.6152 BFGS: 76 16:28:13 -5.927718 0.6147 BFGS: 77 16:28:13 -5.959365 0.6142 BFGS: 78 16:28:13 -7.174337 0.6316 BFGS: 79 16:28:13 -7.205783 0.6282 BFGS: 80 16:28:13 -7.237224 0.6254 BFGS: 81 16:28:13 -7.268635 0.6231 BFGS: 82 16:28:13 -7.299995 0.6211 BFGS: 83 16:28:13 -11.344230 2.5030 BFGS: 84 16:28:13 -11.374183 2.5301 BFGS: 85 16:28:13 -11.404175 2.5558 BFGS: 86 16:28:13 -11.434222 2.5803 BFGS: 87 16:28:13 -11.464337 2.6035 BFGS: 88 16:28:13 -11.494528 2.6256 BFGS: 89 16:28:13 -11.524802 2.6468 BFGS: 90 16:28:13 -11.555160 2.6670 BFGS: 91 16:28:13 -11.585604 2.6864 BFGS: 92 16:28:13 -11.616133 2.7049 BFGS: 93 16:28:13 -11.646746 2.7228 BFGS: 94 16:28:13 -11.677437 2.7400 BFGS: 95 16:28:13 -11.708203 2.7566 BFGS: 96 16:28:13 -11.739035 2.7726 BFGS: 97 16:28:13 -11.769924 2.7881 BFGS: 98 16:28:13 -14.466397 4.0171 BFGS: 99 16:28:13 -14.496612 4.0221 BFGS: 100 16:28:13 -14.527109 4.0267 BFGS: 101 16:28:13 -19.779033 7.6879 BFGS: 102 16:28:13 -19.809868 7.7082 BFGS: 103 16:28:13 -19.841096 7.7284 BFGS: 104 16:28:13 -19.872722 7.7483 BFGS: 105 16:28:13 -19.904753 7.7679 BFGS: 106 16:28:13 -19.937194 7.7873 BFGS: 107 16:28:13 -19.970050 7.8065 BFGS: 108 16:28:13 -26.906333 11.9870 BFGS: 109 16:28:13 -27.002433 12.0063 BFGS: 110 16:28:13 -27.095008 12.0447 BFGS: 111 16:28:13 -27.173643 12.0645 BFGS: 112 16:28:13 -27.248573 12.0852 BFGS: 113 16:28:13 -27.321000 12.1065 BFGS: 114 16:28:13 -27.391776 12.1283 BFGS: 115 16:28:13 -32.020962 14.5964 BFGS: 116 16:28:13 -32.086943 14.6168 BFGS: 117 16:28:13 -32.154065 14.6372 BFGS: 118 16:28:13 -32.222494 14.6579 BFGS: 119 16:28:13 -32.292402 14.6787 BFGS: 120 16:28:13 -32.363969 14.6997 BFGS: 121 16:28:13 -32.437378 14.7207 BFGS: 122 16:28:13 -32.512815 14.7419 BFGS: 123 16:28:13 -32.590468 14.7631 BFGS: 124 16:28:13 -32.670521 14.7843 BFGS: 125 16:28:13 -32.753153 14.8055 BFGS: 126 16:28:13 -32.838536 14.8266 BFGS: 127 16:28:13 -32.926835 14.8475 BFGS: 128 16:28:13 -33.018203 14.8683 BFGS: 129 16:28:13 -33.112782 14.8888 BFGS: 130 16:28:13 -33.210699 14.9089 BFGS: 131 16:28:13 -33.312069 14.9286 BFGS: 132 16:28:13 -33.416993 14.9479 BFGS: 133 16:28:13 -33.525556 14.9665 BFGS: 134 16:28:13 -33.637830 14.9845 BFGS: 135 16:28:13 -33.753873 15.0017 BFGS: 136 16:28:13 -33.872908 15.0180 BFGS: 137 16:28:13 -28.272420 11.2560 BFGS: 138 16:28:13 -28.376364 11.2608 BFGS: 139 16:28:13 -28.481889 11.2644 BFGS: 140 16:28:13 -28.588965 11.2669 BFGS: 141 16:28:13 -28.697558 11.2683 BFGS: 142 16:28:13 -28.807639 11.2686 BFGS: 143 16:28:13 -28.919178 11.2677 BFGS: 144 16:28:13 -29.032144 11.2656 BFGS: 145 16:28:13 -29.146509 11.2622 BFGS: 146 16:28:13 -29.262243 11.2577 BFGS: 147 16:28:13 -29.379320 11.2520 BFGS: 148 16:28:13 -29.497709 11.2449 BFGS: 149 16:28:13 -29.617384 11.2366 BFGS: 150 16:28:13 -29.738318 11.2271 BFGS: 151 16:28:13 -29.860483 11.2162 BFGS: 152 16:28:13 -29.983851 11.2040 BFGS: 153 16:28:13 -30.108397 11.1904 BFGS: 154 16:28:13 -30.234092 11.1756 BFGS: 155 16:28:13 -30.360911 11.1593 BFGS: 156 16:28:13 -30.488826 11.1417 BFGS: 157 16:28:13 -30.617810 11.1227 BFGS: 158 16:28:13 -30.747836 11.1022 BFGS: 159 16:28:13 -30.878876 11.0804 BFGS: 160 16:28:13 -31.010904 11.0571 BFGS: 161 16:28:13 -31.143891 11.0324 BFGS: 162 16:28:13 -31.277810 11.0063 BFGS: 163 16:28:13 -31.412631 10.9787 BFGS: 164 16:28:13 -31.548326 10.9496 BFGS: 165 16:28:13 -31.684867 10.9190 BFGS: 166 16:28:13 -31.822223 10.8870 BFGS: 167 16:28:13 -31.960365 10.8535 BFGS: 168 16:28:13 -32.099263 10.8185 BFGS: 169 16:28:13 -32.238885 10.7819 BFGS: 170 16:28:13 -32.379200 10.7439 BFGS: 171 16:28:13 -32.520177 10.7044 BFGS: 172 16:28:13 -32.661782 10.6634 BFGS: 173 16:28:13 -32.803984 10.6209 BFGS: 174 16:28:13 -32.946749 10.5770 BFGS: 175 16:28:13 -33.090043 10.5315 BFGS: 176 16:28:13 -33.233832 10.4845 BFGS: 177 16:28:13 -33.378080 10.4361 BFGS: 178 16:28:13 -33.522753 10.3861 BFGS: 179 16:28:13 -33.667814 10.3348 BFGS: 180 16:28:13 -33.813227 10.2819 BFGS: 181 16:28:13 -33.958956 10.2277 BFGS: 182 16:28:13 -34.104963 10.1720 BFGS: 183 16:28:13 -34.251211 10.1149 BFGS: 184 16:28:13 -34.397664 10.0564 BFGS: 185 16:28:13 -34.544284 9.9966 BFGS: 186 16:28:13 -34.691044 9.9354 BFGS: 187 16:28:13 -34.837888 9.8728 BFGS: 188 16:28:13 -34.984770 9.8090 BFGS: 189 16:28:13 -35.131643 9.7439 BFGS: 190 16:28:13 -35.278461 9.6776 BFGS: 191 16:28:13 -35.425177 9.6101 BFGS: 192 16:28:13 -35.571744 9.5415 BFGS: 193 16:28:13 -35.718115 9.4717 BFGS: 194 16:28:13 -35.864242 9.4008 BFGS: 195 16:28:13 -36.010079 9.3289 BFGS: 196 16:28:13 -36.155579 9.2560 BFGS: 197 16:28:13 -36.300692 9.1822 BFGS: 198 16:28:13 -36.445372 9.1074 BFGS: 199 16:28:13 -36.589570 9.0318 BFGS: 200 16:28:13 -36.733239 8.9554 BFGS: 201 16:28:13 -36.876330 8.8782 BFGS: 202 16:28:13 -37.018795 8.8004 BFGS: 203 16:28:13 -37.160584 8.7218 BFGS: 204 16:28:13 -37.301648 8.6427 BFGS: 205 16:28:13 -37.441938 8.5630 BFGS: 206 16:28:13 -37.581402 8.4829 BFGS: 207 16:28:13 -37.719989 8.4022 BFGS: 208 16:28:13 -37.857644 8.3212 BFGS: 209 16:28:13 -37.994314 8.2399 BFGS: 210 16:28:13 -38.129940 8.1583 BFGS: 211 16:28:13 -38.264464 8.0764 BFGS: 212 16:28:13 -38.397823 7.9943 BFGS: 213 16:28:13 -38.529953 7.9121 BFGS: 214 16:28:13 -38.660785 7.8298 BFGS: 215 16:28:13 -38.790246 7.7475 BFGS: 216 16:28:13 -38.918262 7.6651 BFGS: 217 16:28:13 -39.044752 7.5827 BFGS: 218 16:28:13 -39.169634 7.5003 BFGS: 219 16:28:13 -39.292821 7.4181 BFGS: 220 16:28:13 -39.414225 7.3358 BFGS: 221 16:28:13 -39.533755 7.2537 BFGS: 222 16:28:13 -39.651322 7.1717 BFGS: 223 16:28:13 -39.766837 7.0898 BFGS: 224 16:28:13 -39.880214 7.0081 BFGS: 225 16:28:13 -39.991375 6.9265 BFGS: 226 16:28:13 -40.100245 6.8451 BFGS: 227 16:28:13 -40.206763 6.7639 BFGS: 228 16:28:13 -40.310878 6.6828 BFGS: 229 16:28:13 -40.412554 6.6021 BFGS: 230 16:28:13 -40.511768 6.5216 BFGS: 231 16:28:13 -40.608515 6.4414 BFGS: 232 16:28:13 -40.702807 6.3617 BFGS: 233 16:28:13 -40.794670 6.2824 BFGS: 234 16:28:13 -40.884147 6.2036 BFGS: 235 16:28:13 -40.971296 6.1254 BFGS: 236 16:28:13 -41.055733 6.0484 BFGS: 237 16:28:13 -41.137135 5.9730 BFGS: 238 16:28:13 -41.215679 5.8993 BFGS: 239 16:28:13 -41.291546 5.8273 BFGS: 240 16:28:13 -41.364914 5.7570 BFGS: 241 16:28:13 -41.435959 5.6886 BFGS: 242 16:28:13 -41.504847 5.6219 BFGS: 243 16:28:13 -41.571738 5.5571 BFGS: 244 16:28:13 -41.636780 5.4942 BFGS: 245 16:28:13 -41.700112 5.4330 BFGS: 246 16:28:13 -41.761862 5.3737 BFGS: 247 16:28:13 -41.822147 5.3162 BFGS: 248 16:28:13 -41.881074 5.2605 BFGS: 249 16:28:13 -41.938738 5.2066 BFGS: 250 16:28:13 -41.995228 5.1543 BFGS: 251 16:28:13 -42.050622 5.1038 BFGS: 252 16:28:13 -42.104990 5.0550 BFGS: 253 16:28:13 -42.158394 5.0078 BFGS: 254 16:28:13 -42.210891 4.9622 BFGS: 255 16:28:13 -42.262530 4.9181 BFGS: 256 16:28:13 -42.313355 4.8756 BFGS: 257 16:28:13 -42.363404 4.8345 BFGS: 258 16:28:13 -42.412712 4.7948 BFGS: 259 16:28:13 -42.461308 4.7565 BFGS: 260 16:28:13 -42.509219 4.7195 BFGS: 261 16:28:13 -42.556467 4.6838 BFGS: 262 16:28:13 -42.603072 4.6494 BFGS: 263 16:28:13 -42.649050 4.6161 BFGS: 264 16:28:13 -42.694418 4.5840 BFGS: 265 16:28:13 -42.739186 4.5531 BFGS: 266 16:28:13 -42.783368 4.5231 BFGS: 267 16:28:13 -42.826970 4.4943 BFGS: 268 16:28:13 -42.870003 4.4663 BFGS: 269 16:28:13 -42.912472 4.4394 BFGS: 270 16:28:13 -42.954384 4.4133 BFGS: 271 16:28:13 -42.995743 4.3881 BFGS: 272 16:28:13 -43.036555 4.3638 BFGS: 273 16:28:13 -43.076823 4.3402 BFGS: 274 16:28:13 -43.116551 4.3174 BFGS: 275 16:28:14 -43.155743 4.2953 BFGS: 276 16:28:14 -43.194402 4.2739 BFGS: 277 16:28:14 -43.232531 4.2531 BFGS: 278 16:28:14 -43.270133 4.2330 BFGS: 279 16:28:14 -43.307213 4.2135 BFGS: 280 16:28:14 -43.343774 4.1945 BFGS: 281 16:28:14 -43.379819 4.1761 BFGS: 282 16:28:14 -43.415354 4.1582 BFGS: 283 16:28:14 -43.450382 4.1408 BFGS: 284 16:28:14 -43.484908 4.1238 BFGS: 285 16:28:14 -43.518938 4.1073 BFGS: 286 16:28:14 -43.552477 4.0911 BFGS: 287 16:28:14 -43.585532 4.0754 BFGS: 288 16:28:14 -43.618108 4.0600 BFGS: 289 16:28:14 -43.650213 4.0450 BFGS: 290 16:28:14 -43.681855 4.0303 BFGS: 291 16:28:14 -43.713040 4.0159 BFGS: 292 16:28:14 -43.743777 4.0017 BFGS: 293 16:28:14 -43.774076 3.9879 BFGS: 294 16:28:14 -43.803944 3.9743 BFGS: 295 16:28:14 -43.833392 3.9609 BFGS: 296 16:28:14 -43.862430 3.9477 BFGS: 297 16:28:14 -43.891067 3.9347 BFGS: 298 16:28:14 -43.919316 3.9219 BFGS: 299 16:28:14 -43.947186 3.9093 BFGS: 300 16:28:14 -43.974689 3.8968 BFGS: 301 16:28:14 -44.001837 3.8844 BFGS: 302 16:28:14 -44.028644 3.8722 BFGS: 303 16:28:14 -44.055120 3.8600 BFGS: 304 16:28:14 -44.081280 3.8480 BFGS: 305 16:28:14 -44.107136 3.8360 BFGS: 306 16:28:14 -44.132702 3.8240 BFGS: 307 16:28:14 -44.157992 3.8121 BFGS: 308 16:28:14 -44.183021 3.8002 BFGS: 309 16:28:14 -44.207803 3.7882 BFGS: 310 16:28:14 -44.232352 3.7763 BFGS: 311 16:28:14 -44.256684 3.7643 BFGS: 312 16:28:14 -44.280815 3.7523 BFGS: 313 16:28:14 -44.304759 3.7402 BFGS: 314 16:28:14 -44.328533 3.7281 BFGS: 315 16:28:14 -44.352154 3.7158 BFGS: 316 16:28:14 -44.375636 3.7034 BFGS: 317 16:28:14 -44.398997 3.6908 BFGS: 318 16:28:14 -44.422253 3.6781 BFGS: 319 16:28:14 -44.445421 3.6651 BFGS: 320 16:28:14 -44.468518 3.6520 BFGS: 321 16:28:14 -44.491562 3.6386 BFGS: 322 16:28:14 -44.514495 3.6250 BFGS: 323 16:28:14 -44.537277 3.6112 BFGS: 324 16:28:14 -44.559929 3.5972 BFGS: 325 16:28:14 -44.582469 3.5829 BFGS: 326 16:28:14 -44.604917 3.5684 BFGS: 327 16:28:14 -44.627293 3.5535 BFGS: 328 16:28:14 -44.649615 3.5383 BFGS: 329 16:28:14 -44.671900 3.5227 BFGS: 330 16:28:14 -44.694165 3.5066 BFGS: 331 16:28:14 -44.716428 3.4902 BFGS: 332 16:28:14 -44.738704 3.4733 BFGS: 333 16:28:14 -44.761007 3.4559 BFGS: 334 16:28:14 -44.783354 3.4381 BFGS: 335 16:28:14 -44.805756 3.4197 BFGS: 336 16:28:14 -44.828229 3.4007 BFGS: 337 16:28:14 -44.850783 3.3812 BFGS: 338 16:28:14 -44.873430 3.3611 BFGS: 339 16:28:14 -44.896182 3.3404 BFGS: 340 16:28:14 -44.919047 3.3190 BFGS: 341 16:28:14 -44.942036 3.2969 BFGS: 342 16:28:14 -44.965156 3.2741 BFGS: 343 16:28:14 -44.988416 3.2506 BFGS: 344 16:28:14 -45.011822 3.2264 BFGS: 345 16:28:14 -45.035379 3.2013 BFGS: 346 16:28:14 -45.059094 3.1754 BFGS: 347 16:28:14 -45.082969 3.1486 BFGS: 348 16:28:14 -45.107009 3.1210 BFGS: 349 16:28:14 -45.131215 3.0925 BFGS: 350 16:28:14 -45.155590 3.0630 BFGS: 351 16:28:14 -45.180133 3.0325 BFGS: 352 16:28:14 -45.204844 3.0010 BFGS: 353 16:28:14 -45.229722 2.9685 BFGS: 354 16:28:14 -45.254763 2.9348 BFGS: 355 16:28:14 -45.279966 2.9000 BFGS: 356 16:28:14 -45.305323 2.8641 BFGS: 357 16:28:14 -45.330831 2.8270 BFGS: 358 16:28:14 -45.356482 2.7886 BFGS: 359 16:28:14 -45.382266 2.7489 BFGS: 360 16:28:14 -45.408176 2.7079 BFGS: 361 16:28:14 -45.434199 2.6656 BFGS: 362 16:28:14 -45.460323 2.6218 BFGS: 363 16:28:14 -45.486535 2.5765 BFGS: 364 16:28:14 -45.512818 2.5297 BFGS: 365 16:28:14 -45.539156 2.4814 BFGS: 366 16:28:14 -45.565529 2.4314 BFGS: 367 16:28:14 -45.591917 2.3798 BFGS: 368 16:28:14 -45.618297 2.3264 BFGS: 369 16:28:14 -45.644644 2.2712 BFGS: 370 16:28:14 -45.670933 2.2142 BFGS: 371 16:28:14 -45.697133 2.1553 BFGS: 372 16:28:14 -45.723215 2.0944 BFGS: 373 16:28:14 -45.749145 2.0315 BFGS: 374 16:28:14 -25.306026 5.0589 BFGS: 375 16:28:14 -25.331932 4.9975 BFGS: 376 16:28:14 -25.358774 4.9340 BFGS: 377 16:28:14 -25.386636 4.8683 BFGS: 378 16:28:14 -25.415604 4.8002 BFGS: 379 16:28:14 -25.445765 4.7297 BFGS: 380 16:28:14 -25.477205 4.6568 BFGS: 381 16:28:14 -25.510012 4.5813 BFGS: 382 16:28:14 -25.544276 4.5032 BFGS: 383 16:28:14 -25.580083 4.4224 BFGS: 384 16:28:14 -25.617525 4.3389 BFGS: 385 16:28:14 -25.656690 4.2527 BFGS: 386 16:28:14 -25.697669 4.1637 BFGS: 387 16:28:14 -25.740555 4.0719 BFGS: 388 16:28:14 -25.785439 3.9773 BFGS: 389 16:28:14 -25.832414 3.8799 BFGS: 390 16:28:14 -25.881575 3.7798 BFGS: 391 16:28:14 -25.933018 3.6770 BFGS: 392 16:28:14 -25.986838 3.5716 BFGS: 393 16:28:14 -26.043133 3.4637 BFGS: 394 16:28:14 -26.102000 3.3534 BFGS: 395 16:28:14 -26.163539 3.2408 BFGS: 396 16:28:14 -26.227846 3.1263 BFGS: 397 16:28:14 -26.295016 3.0100 BFGS: 398 16:28:14 -26.365140 2.8922 BFGS: 399 16:28:14 -26.438302 2.7733 BFGS: 400 16:28:14 -26.514573 2.6535 BFGS: 401 16:28:14 -26.594005 2.5332 BFGS: 402 16:28:14 -26.669223 2.4235 BFGS: 403 16:28:14 -26.736621 2.3285 BFGS: 404 16:28:14 -26.797851 2.2449 BFGS: 405 16:28:14 -26.854088 2.1701 BFGS: 406 16:28:14 -26.906198 2.1025 BFGS: 407 16:28:14 -26.954834 2.0407 BFGS: 408 16:28:14 -27.000503 1.9838 BFGS: 409 16:28:14 -27.043605 1.9308 BFGS: 410 16:28:14 -27.084459 1.8813 BFGS: 411 16:28:14 -27.123329 1.8347 BFGS: 412 16:28:14 -27.160429 1.7906 BFGS: 413 16:28:14 -27.195938 1.7486 BFGS: 414 16:28:14 -27.230009 1.7085 BFGS: 415 16:28:14 -27.262769 1.6701 BFGS: 416 16:28:14 -27.294329 1.6331 BFGS: 417 16:28:14 -27.324782 1.5973 BFGS: 418 16:28:14 -27.354210 1.5627 BFGS: 419 16:28:14 -27.382685 1.5291 BFGS: 420 16:28:14 -27.410269 1.4964 BFGS: 421 16:28:14 -27.437016 1.4644 BFGS: 422 16:28:14 -27.462975 1.4332 BFGS: 423 16:28:14 -27.488188 1.4026 BFGS: 424 16:28:14 -27.512694 1.3726 BFGS: 425 16:28:14 -27.536524 1.3431 BFGS: 426 16:28:14 -27.559710 1.3141 BFGS: 427 16:28:14 -27.582278 1.2855 BFGS: 428 16:28:14 -27.604251 1.2573 BFGS: 429 16:28:14 -27.625653 1.2294 BFGS: 430 16:28:14 -27.646500 1.2018 BFGS: 431 16:28:14 -27.666812 1.1745 BFGS: 432 16:28:14 -27.686602 1.1475 BFGS: 433 16:28:14 -27.705887 1.1207 BFGS: 434 16:28:14 -27.724677 1.0942 BFGS: 435 16:28:14 -27.742986 1.0679 BFGS: 436 16:28:14 -27.760825 1.0419 BFGS: 437 16:28:14 -27.778203 1.0160 BFGS: 438 16:28:14 -27.795130 0.9904 BFGS: 439 16:28:14 -27.811615 0.9651 BFGS: 440 16:28:14 -27.827665 0.9399 BFGS: 441 16:28:14 -27.843289 0.9149 BFGS: 442 16:28:14 -27.858492 0.8900 BFGS: 443 16:28:14 -27.873282 0.8654 BFGS: 444 16:28:14 -27.887663 0.8409 BFGS: 445 16:28:14 -27.901642 0.8166 BFGS: 446 16:28:14 -27.915223 0.7924 BFGS: 447 16:28:14 -27.928412 0.7683 BFGS: 448 16:28:14 -27.941214 0.7444 BFGS: 449 16:28:14 -27.953632 0.7206 BFGS: 450 16:28:14 -27.965672 0.6969 BFGS: 451 16:28:14 -27.977338 0.6734 BFGS: 452 16:28:14 -27.988633 0.6499 BFGS: 453 16:28:14 -27.999563 0.6266 BFGS: 454 16:28:14 -28.010132 0.6033 BFGS: 455 16:28:14 -28.020344 0.5802 BFGS: 456 16:28:14 -28.030204 0.5572 BFGS: 457 16:28:14 -28.039716 0.5343 BFGS: 458 16:28:14 -28.048886 0.5115 BFGS: 459 16:28:14 -28.057720 0.4888 BFGS: 460 16:28:14 -28.066222 0.4662 BFGS: 461 16:28:14 -28.074400 0.4438 BFGS: 462 16:28:14 -28.082260 0.4214 BFGS: 463 16:28:14 -28.089810 0.3992 BFGS: 464 16:28:14 -28.097057 0.3772 BFGS: 465 16:28:14 -28.104010 0.3553 BFGS: 466 16:28:14 -28.110679 0.3335 BFGS: 467 16:28:14 -28.117075 0.3360 BFGS: 468 16:28:14 -28.123208 0.3521 BFGS: 469 16:28:14 -28.129092 0.3672 BFGS: 470 16:28:14 -28.134740 0.3813 BFGS: 471 16:28:14 -28.140166 0.3941 BFGS: 472 16:28:14 -28.145387 0.4057 BFGS: 473 16:28:14 -28.150418 0.4159 BFGS: 474 16:28:14 -28.155278 0.4246 BFGS: 475 16:28:14 -28.159983 0.4317 BFGS: 476 16:28:14 -28.164458 0.4368 BFGS: 477 16:28:14 -28.168570 0.4399 BFGS: 478 16:28:14 -28.172380 0.4411 BFGS: 479 16:28:14 -28.175942 0.4405 BFGS: 480 16:28:14 -28.179296 0.4383 BFGS: 481 16:28:14 -28.182474 0.4346 BFGS: 482 16:28:14 -28.185502 0.4295 BFGS: 483 16:28:15 -28.188398 0.4232 BFGS: 484 16:28:15 -28.191178 0.4157 BFGS: 485 16:28:15 -28.193850 0.4071 BFGS: 486 16:28:15 -28.196424 0.3976 BFGS: 487 16:28:15 -28.198904 0.3872 BFGS: 488 16:28:15 -28.201294 0.3760 BFGS: 489 16:28:15 -28.203595 0.3640 BFGS: 490 16:28:15 -28.205808 0.3515 BFGS: 491 16:28:15 -28.207934 0.3383 BFGS: 492 16:28:15 -28.209971 0.3245 BFGS: 493 16:28:15 -28.211918 0.3103 BFGS: 494 16:28:15 -28.213775 0.2957 BFGS: 495 16:28:15 -28.215539 0.2806 BFGS: 496 16:28:15 -28.217210 0.2653 BFGS: 497 16:28:15 -28.218786 0.2496 BFGS: 498 16:28:15 -28.220265 0.2336 BFGS: 499 16:28:15 -28.221646 0.2175 BFGS: 500 16:28:15 -28.222929 0.2011 BFGS: 501 16:28:15 -28.224112 0.1846 BFGS: 502 16:28:15 -28.225195 0.1680 BFGS: 503 16:28:15 -28.226177 0.1513 BFGS: 504 16:28:15 -28.227059 0.1345 BFGS: 505 16:28:15 -28.227840 0.1178 BFGS: 506 16:28:15 -28.228522 0.1011 BFGS: 507 16:28:15 -28.229107 0.0845 BFGS: 508 16:28:15 -28.229597 0.0681 BFGS: 509 16:28:15 -28.229996 0.0520 BFGS: 510 16:28:15 -28.230309 0.0436 BFGS: 511 16:28:15 -28.230546 0.0464 BFGS: 512 16:28:15 -28.230721 0.0487 BFGS: 513 16:28:15 -28.230857 0.0503 BFGS: 514 16:28:15 -28.230986 0.0505 BFGS: 515 16:28:15 -28.231136 0.0490 BFGS: 516 16:28:15 -28.231309 0.0457 BFGS: 517 16:28:15 -28.231499 0.0411 BFGS: 518 16:28:15 -28.231695 0.0353 BFGS: 519 16:28:15 -28.231879 0.0286 BFGS: 520 16:28:15 -28.232031 0.0213 BFGS: 521 16:28:15 -28.232139 0.0139 BFGS: 522 16:28:15 -28.232201 0.0068 BFGS: 523 16:28:15 -28.232220 0.0021 BFGS: 524 16:28:15 -28.232221 0.0018 BFGS: 525 16:28:15 -28.232222 0.0005 BFGS: 526 16:28:15 -28.232222 0.0001 BFGS: 527 16:28:15 -28.232222 0.0000 BFGS: 528 16:28:15 -28.232222 0.0000 BFGS: 529 16:28:15 -28.232222 0.0000 BFGS: 530 16:28:15 -28.232222 0.0000 Minimization converged after 530 steps. Maximum force component: 3.212534463560044e-10 eV/Angstrom Maximum stress component: 6.146120142042284e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge'] basis = [[7.68642704e-01 0.00000000e+00 0.00000000e+00] [2.31357296e-01 5.00000000e-01 5.00000000e-01] [2.68642704e-01 5.00000000e-01 0.00000000e+00] [7.31357296e-01 0.00000000e+00 5.00000000e-01] [2.31357296e-01 4.82243578e-31 1.54055113e-32] [7.68642704e-01 5.00000000e-01 5.00000000e-01] [7.31357296e-01 5.00000000e-01 1.30963706e-32] [2.68642704e-01 9.47468404e-31 5.00000000e-01] [2.87902243e-16 3.92982879e-01 6.42883566e-01] [2.87902243e-16 1.07017121e-01 1.42883566e-01] [2.87902243e-16 8.92982879e-01 8.57116434e-01] [2.87902243e-16 6.07017121e-01 3.57116434e-01] [5.00000000e-01 8.92982879e-01 6.42883566e-01] [5.00000000e-01 6.07017121e-01 1.42883566e-01] [5.00000000e-01 3.92982879e-01 8.57116434e-01] [5.00000000e-01 1.07017121e-01 3.57116434e-01]] cellpar = Cell([[7.67922544216496, -1.4264249482626074e-35, 0.0], [9.531969703033853e-37, 9.475314772467902, 0.0], [0.0, 0.0, 10.210025842001311]]) forces = [[-3.21253446e-10 2.33584543e-31 0.00000000e+00] [ 3.21253446e-10 8.75942038e-32 -6.29241424e-32] [-3.21253446e-10 2.33584543e-31 -3.14620712e-32] [ 3.21253446e-10 -5.96731967e-46 0.00000000e+00] [ 3.21253446e-10 -5.96731967e-46 0.00000000e+00] [-3.21253446e-10 1.38690823e-31 6.29241424e-32] [ 3.21253446e-10 -5.96731967e-46 0.00000000e+00] [-3.21253446e-10 2.33584543e-31 0.00000000e+00] [-3.78615046e-31 -1.31860616e-10 1.89704158e-10] [ 1.89307523e-31 1.31860616e-10 1.89704158e-10] [ 3.78615046e-31 -1.31860616e-10 -1.89704158e-10] [-5.67922569e-31 1.31860616e-10 -1.89704158e-10] [-3.78615046e-31 -1.31860616e-10 1.89704158e-10] [ 1.89307523e-31 1.31860616e-10 1.89704158e-10] [-2.83961284e-31 -1.31860616e-10 -1.89704158e-10] [ 1.89307523e-31 1.31860616e-10 -1.89704158e-10]] stress = [-6.14612014e-12 -1.43983546e-12 -2.98015086e-12 0.00000000e+00 0.00000000e+00 3.97763689e-49] energy per atom = -1.76451385967205 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge', 'Ge'] representative atom coordinates = [[0.22161517 0. 0. ] [0. 0.98590077 0.72156659]] spacegroup = 64 cell = [[10.0544, 0, 0], [0, 5.2818, 0], [0, 0, 5.815]] ========================================= Step Time Energy fmax BFGS: 0 16:28:17 24.804452 13.2289 BFGS: 1 16:28:17 20.890031 13.0558 BFGS: 2 16:28:17 17.774867 12.5291 BFGS: 3 16:28:17 15.150088 11.8269 BFGS: 4 16:28:17 12.775124 11.0376 BFGS: 5 16:28:17 10.517053 10.1974 BFGS: 6 16:28:17 8.307361 9.3207 BFGS: 7 16:28:17 6.147554 8.4297 BFGS: 8 16:28:17 19.547481 10.3971 BFGS: 9 16:28:17 17.610588 9.9077 BFGS: 10 16:28:17 15.839107 9.3795 BFGS: 11 16:28:17 14.216290 8.8099 BFGS: 12 16:28:17 12.730120 8.1962 BFGS: 13 16:28:17 7.124673 6.2842 BFGS: 14 16:28:17 6.465723 5.6073 BFGS: 15 16:28:17 5.886010 4.9215 BFGS: 16 16:28:17 5.431798 4.3158 BFGS: 17 16:28:17 5.070287 3.7927 BFGS: 18 16:28:17 4.773500 3.3472 BFGS: 19 16:28:17 4.519444 3.2371 BFGS: 20 16:28:17 4.291665 3.4245 BFGS: 21 16:28:17 4.078135 3.6209 BFGS: 22 16:28:17 3.870081 3.8323 BFGS: 23 16:28:17 3.661162 4.0641 BFGS: 24 16:28:17 3.448339 4.3187 BFGS: 25 16:28:17 3.223454 4.6030 BFGS: 26 16:28:17 2.902094 6.0775 BFGS: 27 16:28:17 2.143922 6.0403 BFGS: 28 16:28:17 1.226463 5.9984 BFGS: 29 16:28:17 0.362273 5.9377 BFGS: 30 16:28:17 -0.451489 5.8363 BFGS: 31 16:28:17 -1.215524 5.6783 BFGS: 32 16:28:17 -1.928914 5.4557 BFGS: 33 16:28:17 -2.589829 5.1676 BFGS: 34 16:28:17 -3.196292 4.8203 BFGS: 35 16:28:17 -3.746854 4.4248 BFGS: 36 16:28:17 -4.241100 3.9956 BFGS: 37 16:28:17 -4.679899 3.5478 BFGS: 38 16:28:17 -5.065416 3.0956 BFGS: 39 16:28:17 -5.400930 2.6516 BFGS: 40 16:28:17 -5.690565 2.2262 BFGS: 41 16:28:17 -5.938996 1.8279 BFGS: 42 16:28:17 -6.151186 1.4638 BFGS: 43 16:28:17 -6.332152 1.2727 BFGS: 44 16:28:17 -6.486759 1.1615 BFGS: 45 16:28:17 -6.619545 1.0655 BFGS: 46 16:28:17 -6.734593 0.9841 BFGS: 47 16:28:17 -6.835453 0.9162 BFGS: 48 16:28:17 -6.925113 0.8601 BFGS: 49 16:28:17 -7.006028 0.8146 BFGS: 50 16:28:17 -7.080167 0.7779 BFGS: 51 16:28:17 -7.149086 0.7488 BFGS: 52 16:28:17 -7.213996 0.7259 BFGS: 53 16:28:17 -7.275828 0.7082 BFGS: 54 16:28:17 -7.335299 0.7178 BFGS: 55 16:28:17 -7.392950 0.7532 BFGS: 56 16:28:17 -7.449192 0.7830 BFGS: 57 16:28:17 -7.504332 0.8082 BFGS: 58 16:28:17 -7.558601 0.8297 BFGS: 59 16:28:17 -13.226433 4.7498 BFGS: 60 16:28:17 -13.284180 4.8140 BFGS: 61 16:28:17 -13.341720 4.8740 BFGS: 62 16:28:17 -13.399179 4.9304 BFGS: 63 16:28:17 -13.456639 4.9835 BFGS: 64 16:28:17 -13.514150 5.0337 BFGS: 65 16:28:17 -13.571744 5.0813 BFGS: 66 16:28:17 -13.629439 5.1265 BFGS: 67 16:28:17 -13.687243 5.1694 BFGS: 68 16:28:17 -13.745159 5.2103 BFGS: 69 16:28:17 -13.803186 5.2493 BFGS: 70 16:28:17 -13.861319 5.2866 BFGS: 71 16:28:17 -13.919553 5.3221 BFGS: 72 16:28:17 -13.977882 5.3561 BFGS: 73 16:28:17 -14.036299 5.3885 BFGS: 74 16:28:17 -14.094796 5.4196 BFGS: 75 16:28:17 -14.153367 5.4493 BFGS: 76 16:28:17 -14.212004 5.4776 BFGS: 77 16:28:17 -14.270703 5.5048 BFGS: 78 16:28:17 -14.329458 5.5307 BFGS: 79 16:28:17 -14.388263 5.5555 BFGS: 80 16:28:17 -14.447113 5.5793 BFGS: 81 16:28:17 -14.506006 5.6019 BFGS: 82 16:28:17 -14.564938 5.6235 BFGS: 83 16:28:17 -14.623906 5.6442 BFGS: 84 16:28:17 -14.682907 5.6639 BFGS: 85 16:28:17 -14.741941 5.6826 BFGS: 86 16:28:17 -14.801006 5.7005 BFGS: 87 16:28:17 -14.860102 5.7175 BFGS: 88 16:28:17 -14.919227 5.7337 BFGS: 89 16:28:17 -14.978383 5.7490 BFGS: 90 16:28:17 -19.639046 9.1284 BFGS: 91 16:28:17 -19.696417 9.1445 BFGS: 92 16:28:17 -19.753693 9.1600 BFGS: 93 16:28:17 -19.810884 9.1748 BFGS: 94 16:28:17 -19.868000 9.1890 BFGS: 95 16:28:17 -19.925051 9.2025 BFGS: 96 16:28:17 -19.982044 9.2155 BFGS: 97 16:28:17 -20.038987 9.2279 BFGS: 98 16:28:17 -20.095886 9.2398 BFGS: 99 16:28:17 -20.152748 9.2510 BFGS: 100 16:28:17 -20.209579 9.2618 BFGS: 101 16:28:17 -20.266384 9.2719 BFGS: 102 16:28:17 -22.040122 10.5947 BFGS: 103 16:28:17 -22.108510 10.5808 BFGS: 104 16:28:17 -22.175780 10.5688 BFGS: 105 16:28:17 -22.242229 10.5582 BFGS: 106 16:28:17 -22.308053 10.5487 BFGS: 107 16:28:17 -22.373388 10.5399 BFGS: 108 16:28:17 -24.731112 12.3184 BFGS: 109 16:28:17 -24.795622 12.3084 BFGS: 110 16:28:17 -24.859478 12.2993 BFGS: 111 16:28:17 -24.922746 12.2909 BFGS: 112 16:28:17 -24.985482 12.2832 BFGS: 113 16:28:17 -29.778494 15.2113 BFGS: 114 16:28:17 -29.852561 15.1385 BFGS: 115 16:28:17 -29.925051 15.0621 BFGS: 116 16:28:17 -29.995799 14.9822 BFGS: 117 16:28:17 -30.064674 14.8989 BFGS: 118 16:28:17 -32.378904 16.2680 BFGS: 119 16:28:17 -32.437522 16.1855 BFGS: 120 16:28:17 -32.495720 16.0996 BFGS: 121 16:28:17 -32.553374 16.0104 BFGS: 122 16:28:17 -32.610388 15.9180 BFGS: 123 16:28:17 -32.666694 15.8224 BFGS: 124 16:28:17 -32.722257 15.7237 BFGS: 125 16:28:17 -32.777075 15.6220 BFGS: 126 16:28:17 -32.831177 15.5175 BFGS: 127 16:28:17 -32.884622 15.4102 BFGS: 128 16:28:17 -32.937492 15.3004 BFGS: 129 16:28:17 -32.989893 15.1883 BFGS: 130 16:28:17 -33.041950 15.0738 BFGS: 131 16:28:17 -33.093806 14.9572 BFGS: 132 16:28:17 -33.145621 14.8386 BFGS: 133 16:28:17 -33.197566 14.7182 BFGS: 134 16:28:17 -33.249827 14.5960 BFGS: 135 16:28:17 -33.302596 14.4722 BFGS: 136 16:28:17 -33.356071 14.3468 BFGS: 137 16:28:17 -33.410449 14.2199 BFGS: 138 16:28:17 -33.465924 14.0916 BFGS: 139 16:28:17 -33.522679 13.9619 BFGS: 140 16:28:17 -33.580884 13.8311 BFGS: 141 16:28:17 -33.640687 13.6990 BFGS: 142 16:28:17 -33.702217 13.5659 BFGS: 143 16:28:17 -33.765576 13.4318 BFGS: 144 16:28:17 -33.830835 13.2968 BFGS: 145 16:28:17 -33.898032 13.1612 BFGS: 146 16:28:17 -33.967170 13.0250 BFGS: 147 16:28:17 -34.038210 12.8884 BFGS: 148 16:28:17 -34.111070 12.7517 BFGS: 149 16:28:17 -34.185618 12.6152 BFGS: 150 16:28:17 -34.261665 12.4791 BFGS: 151 16:28:17 -34.338965 12.3437 BFGS: 152 16:28:17 -34.417203 12.2094 BFGS: 153 16:28:17 -34.495995 12.0767 BFGS: 154 16:28:17 -34.574879 11.9459 BFGS: 155 16:28:17 -34.653315 11.8176 BFGS: 156 16:28:17 -34.730686 11.6923 BFGS: 157 16:28:17 -34.806299 11.5704 BFGS: 158 16:28:17 -34.879399 11.4526 BFGS: 159 16:28:17 -34.949180 11.3394 BFGS: 160 16:28:17 -35.014817 11.2312 BFGS: 161 16:28:17 -35.075489 11.1284 BFGS: 162 16:28:17 -35.130429 11.0316 BFGS: 163 16:28:17 -35.178974 10.9409 BFGS: 164 16:28:17 -35.220623 10.8564 BFGS: 165 16:28:17 -35.255109 10.7782 BFGS: 166 16:28:17 -35.282479 10.7061 BFGS: 167 16:28:17 -35.303176 10.6396 BFGS: 168 16:28:17 -35.318113 10.5782 BFGS: 169 16:28:17 -35.328649 10.5208 BFGS: 170 16:28:17 -35.336437 10.4666 BFGS: 171 16:28:17 -35.343425 10.4149 BFGS: 172 16:28:17 -35.351144 10.3657 BFGS: 173 16:28:17 -35.360065 10.3187 BFGS: 174 16:28:17 -35.370166 10.2736 BFGS: 175 16:28:17 -35.381312 10.2303 BFGS: 176 16:28:17 -35.393366 10.1888 BFGS: 177 16:28:17 -35.406211 10.1490 BFGS: 178 16:28:17 -35.419754 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2275 16:28:28 -70.222413 3.0718 BFGS: 2276 16:28:28 -70.229766 3.0650 BFGS: 2277 16:28:28 -70.237103 3.0581 BFGS: 2278 16:28:28 -70.244424 3.0513 BFGS: 2279 16:28:28 -70.251730 3.0445 BFGS: 2280 16:28:28 -70.259019 3.0376 BFGS: 2281 16:28:28 -70.266293 3.0308 BFGS: 2282 16:28:28 -70.273551 3.0239 BFGS: 2283 16:28:28 -70.280792 3.0171 BFGS: 2284 16:28:28 -70.288018 3.0102 BFGS: 2285 16:28:28 -70.295228 3.0033 BFGS: 2286 16:28:28 -70.302422 2.9964 BFGS: 2287 16:28:28 -70.309600 2.9895 BFGS: 2288 16:28:28 -70.316762 2.9826 BFGS: 2289 16:28:28 -70.323908 2.9757 BFGS: 2290 16:28:28 -70.331037 2.9688 BFGS: 2291 16:28:28 -70.338151 2.9619 BFGS: 2292 16:28:28 -70.345249 2.9550 BFGS: 2293 16:28:28 -70.352330 2.9481 BFGS: 2294 16:28:28 -70.359396 2.9411 BFGS: 2295 16:28:28 -70.366445 2.9342 BFGS: 2296 16:28:28 -70.373478 2.9272 BFGS: 2297 16:28:28 -70.380495 2.9203 BFGS: 2298 16:28:28 -70.387496 2.9133 BFGS: 2299 16:28:28 -70.394481 2.9063 BFGS: 2300 16:28:28 -70.401449 2.8994 BFGS: 2301 16:28:28 -70.408401 2.8924 BFGS: 2302 16:28:28 -70.415337 2.8854 BFGS: 2303 16:28:28 -70.422256 2.8784 BFGS: 2304 16:28:28 -70.429160 2.8714 BFGS: 2305 16:28:28 -70.436046 2.8644 BFGS: 2306 16:28:28 -70.442917 2.8574 BFGS: 2307 16:28:28 -70.449771 2.8503 BFGS: 2308 16:28:28 -70.456609 2.8433 BFGS: 2309 16:28:28 -70.463430 2.8363 BFGS: 2310 16:28:28 -70.470235 2.8292 BFGS: 2311 16:28:28 -70.477024 2.8222 BFGS: 2312 16:28:28 -70.483796 2.8151 BFGS: 2313 16:28:28 -70.490552 2.8080 BFGS: 2314 16:28:28 -70.497291 2.8010 BFGS: 2315 16:28:28 -70.504014 2.7939 BFGS: 2316 16:28:28 -70.510720 2.7868 BFGS: 2317 16:28:28 -70.517410 2.7797 BFGS: 2318 16:28:28 -70.524083 2.7726 BFGS: 2319 16:28:28 -70.530739 2.7655 BFGS: 2320 16:28:28 -70.537379 2.7584 BFGS: 2321 16:28:28 -70.544002 2.7513 BFGS: 2322 16:28:28 -70.550609 2.7441 BFGS: 2323 16:28:28 -70.557199 2.7370 BFGS: 2324 16:28:28 -70.563772 2.7299 BFGS: 2325 16:28:28 -70.570329 2.7227 BFGS: 2326 16:28:28 -70.576869 2.7156 BFGS: 2327 16:28:28 -70.583392 2.7084 BFGS: 2328 16:28:28 -70.589898 2.7012 BFGS: 2329 16:28:28 -70.596388 2.6940 BFGS: 2330 16:28:28 -70.602861 2.6869 BFGS: 2331 16:28:28 -70.609317 2.6797 BFGS: 2332 16:28:28 -70.615756 2.6725 BFGS: 2333 16:28:28 -70.622178 2.6653 BFGS: 2334 16:28:28 -70.628584 2.6581 BFGS: 2335 16:28:28 -70.634973 2.6509 BFGS: 2336 16:28:28 -70.641344 2.6436 BFGS: 2337 16:28:28 -70.647699 2.6364 BFGS: 2338 16:28:28 -70.654037 2.6292 BFGS: 2339 16:28:28 -70.660358 2.6219 BFGS: 2340 16:28:28 -70.666662 2.6147 BFGS: 2341 16:28:28 -70.672949 2.6074 BFGS: 2342 16:28:28 -70.679219 2.6001 BFGS: 2343 16:28:28 nan nan