element(s): ['O'] AFLOW prototype label: A_oP24_61_3c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.9345', '1.0954503', '1.1286034', '0.96397784', '0.54903628', '0.82432575', '0.85504968', '0.66977468', '0.88726476', '0.74875817', '0.62965334', '0.015772569'] model name: Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O'] representative atom coordinates = [[0.96397784 0.54903628 0.82432575] [0.85504968 0.66977468 0.88726476] [0.74875817 0.62965334 0.01577257]] spacegroup = 61 cell = [[6.9345, 0, 0], [0, 7.5964, 0], [0, 0, 7.8263]] ========================================= Step Time Energy fmax BFGS: 0 17:00:31 -577.057598 90.6506 BFGS: 1 17:00:32 -588.987378 90.7631 BFGS: 2 17:00:32 -592.081563 88.5369 BFGS: 3 17:00:32 -594.773345 87.6555 BFGS: 4 17:00:32 -596.208447 86.8309 BFGS: 5 17:00:32 -597.126002 87.1025 BFGS: 6 17:00:32 -597.189768 85.2518 BFGS: 7 17:00:32 -598.160398 85.7520 BFGS: 8 17:00:32 -599.632640 84.9321 BFGS: 9 17:00:32 -600.771265 83.9014 BFGS: 10 17:00:32 -602.031808 83.1003 BFGS: 11 17:00:32 -603.446458 82.3100 BFGS: 12 17:00:33 -604.788451 80.4766 BFGS: 13 17:00:33 -607.101448 79.7135 BFGS: 14 17:00:33 -608.765003 78.9942 BFGS: 15 17:00:33 -609.975168 78.3097 BFGS: 16 17:00:33 -610.878247 77.6539 BFGS: 17 17:00:33 -611.581490 77.0227 BFGS: 18 17:00:33 -612.161844 77.4748 BFGS: 19 17:00:34 -612.259259 76.8818 BFGS: 20 17:00:34 -612.387845 76.3057 BFGS: 21 17:00:34 -612.542664 75.7463 BFGS: 22 17:00:34 -612.717661 74.2485 BFGS: 23 17:00:34 -613.686538 73.8540 BFGS: 24 17:00:34 -614.412552 74.5218 BFGS: 25 17:00:34 -614.472660 73.0581 BFGS: 26 17:00:34 -615.365243 72.6658 BFGS: 27 17:00:34 -615.957622 72.2760 BFGS: 28 17:00:34 -616.363434 71.8883 BFGS: 29 17:00:35 -616.652803 71.5024 BFGS: 30 17:00:35 -616.872538 71.1175 BFGS: 31 17:00:35 -617.056244 70.7331 BFGS: 32 17:00:35 -617.228266 70.3490 BFGS: 33 17:00:35 -617.405161 69.9651 BFGS: 34 17:00:35 -617.596250 69.5820 BFGS: 35 17:00:35 -617.804310 69.2000 BFGS: 36 17:00:35 -618.026774 68.8193 BFGS: 37 17:00:35 -618.256425 68.4399 BFGS: 38 17:00:35 -618.483568 68.0617 BFGS: 39 17:00:35 -618.698598 67.6845 BFGS: 40 17:00:35 -618.893621 67.3081 BFGS: 41 17:00:35 -619.062143 66.9323 BFGS: 42 17:00:36 -619.199677 66.5571 BFGS: 43 17:00:36 -619.303099 66.1824 BFGS: 44 17:00:36 -619.370439 65.2114 BFGS: 45 17:00:36 -619.735743 64.8423 BFGS: 46 17:00:36 -619.974491 64.4727 BFGS: 47 17:00:36 -620.116779 65.4718 BFGS: 48 17:00:36 -619.731089 63.7105 BFGS: 49 17:00:36 -620.114674 63.9060 BFGS: 50 17:00:36 -620.033693 62.9275 BFGS: 51 17:00:36 -620.215311 62.5342 BFGS: 52 17:00:36 -620.239173 63.4120 BFGS: 53 17:00:36 -619.786830 62.3081 BFGS: 54 17:00:36 -619.743612 61.3316 BFGS: 55 17:00:36 -619.894812 60.9304 BFGS: 56 17:00:36 -619.853779 60.5287 BFGS: 57 17:00:37 -619.680269 60.6916 BFGS: 58 17:00:37 -619.211943 59.7224 BFGS: 59 17:00:37 -619.017691 59.3197 BFGS: 60 17:00:37 -618.705527 58.9168 BFGS: 61 17:00:37 -618.310202 58.5137 BFGS: 62 17:00:37 -617.855350 58.6644 BFGS: 63 17:00:37 -617.201920 57.7061 BFGS: 64 17:00:37 -616.827562 57.3028 BFGS: 65 17:00:37 -616.366670 56.8990 BFGS: 66 17:00:37 -615.845897 56.4944 BFGS: 67 17:00:37 -615.283135 56.0890 BFGS: 68 17:00:37 -614.691304 56.9103 BFGS: 69 17:00:37 -613.909773 55.2806 BFGS: 70 17:00:38 -613.709011 55.4168 BFGS: 71 17:00:38 -613.149973 54.4775 BFGS: 72 17:00:38 -612.790630 54.6097 BFGS: 73 17:00:38 -612.104644 53.6769 BFGS: 74 17:00:38 -611.666676 53.2787 BFGS: 75 17:00:38 -611.093393 54.4452 BFGS: 76 17:00:38 -610.337729 53.0220 BFGS: 77 17:00:38 -610.085729 52.6278 BFGS: 78 17:00:38 -609.608473 52.2372 BFGS: 79 17:00:38 -609.001083 51.8513 BFGS: 80 17:00:38 -608.312455 50.9510 BFGS: 81 17:00:38 -607.788930 50.5724 BFGS: 82 17:00:39 -607.153782 50.7137 BFGS: 83 17:00:39 -606.321989 49.8293 BFGS: 84 17:00:39 -605.688339 50.6768 BFGS: 85 17:00:39 -604.850974 50.3085 BFGS: 86 17:00:39 -603.973734 48.7351 BFGS: 87 17:00:39 -603.587752 48.3698 BFGS: 88 17:00:39 -602.998849 48.0087 BFGS: 89 17:00:39 -602.287545 47.6518 BFGS: 90 17:00:39 -601.503789 47.8049 BFGS: 91 17:00:39 -600.585004 46.9576 BFGS: 92 17:00:39 -599.829148 46.6168 BFGS: 93 17:00:40 -599.007731 46.2826 BFGS: 94 17:00:40 -598.146005 45.9544 BFGS: 95 17:00:40 -597.259474 45.6322 BFGS: 96 17:00:40 -596.358239 45.3156 BFGS: 97 17:00:40 -595.448945 45.0043 BFGS: 98 17:00:40 -594.536418 44.6982 BFGS: 99 17:00:40 -593.623518 43.9385 BFGS: 100 17:00:40 -592.848623 43.6418 BFGS: 101 17:00:40 -592.036382 43.3495 BFGS: 102 17:00:40 -591.203842 43.0616 BFGS: 103 17:00:40 -590.361635 42.7777 BFGS: 104 17:00:40 -589.516453 42.4980 BFGS: 105 17:00:40 -588.673434 42.2222 BFGS: 106 17:00:40 -587.836113 41.9501 BFGS: 107 17:00:40 -587.006543 41.1194 BFGS: 108 17:00:41 -586.332792 40.8562 BFGS: 109 17:00:41 -585.630733 40.5958 BFGS: 110 17:00:41 -584.915076 40.3471 BFGS: 111 17:00:41 -584.194805 40.1248 BFGS: 112 17:00:41 -583.476578 39.9050 BFGS: 113 17:00:41 -582.764618 39.6876 BFGS: 114 17:00:41 -582.061820 39.4727 BFGS: 115 17:00:41 -581.370359 39.2600 BFGS: 116 17:00:41 -580.691627 39.0498 BFGS: 117 17:00:41 -580.026946 38.8417 BFGS: 118 17:00:41 -579.376958 38.6360 BFGS: 119 17:00:41 -578.742184 38.4325 BFGS: 120 17:00:42 -578.122869 38.2313 BFGS: 121 17:00:42 -577.519538 38.0322 BFGS: 122 17:00:42 -576.931820 37.8353 BFGS: 123 17:00:42 -576.359910 37.6405 BFGS: 124 17:00:42 -575.803701 37.4479 BFGS: 125 17:00:42 -575.262999 37.2573 BFGS: 126 17:00:42 -574.737480 37.0689 BFGS: 127 17:00:42 -574.226908 36.8826 BFGS: 128 17:00:42 -573.730823 36.6982 BFGS: 129 17:00:42 -573.248991 36.5160 BFGS: 130 17:00:42 -572.780712 36.3357 BFGS: 131 17:00:42 -572.325538 36.1574 BFGS: 132 17:00:42 -571.883088 35.9811 BFGS: 133 17:00:43 -571.452728 35.8068 BFGS: 134 17:00:43 -571.033826 35.6343 BFGS: 135 17:00:43 -570.625737 35.4638 BFGS: 136 17:00:43 -570.227982 35.2951 BFGS: 137 17:00:43 -569.839856 35.1283 BFGS: 138 17:00:43 -569.460696 34.9633 BFGS: 139 17:00:43 -569.089747 34.8000 BFGS: 140 17:00:43 -568.726521 34.6384 BFGS: 141 17:00:43 -568.370171 34.4786 BFGS: 142 17:00:43 -568.020159 34.3204 BFGS: 143 17:00:43 -567.675881 34.1639 BFGS: 144 17:00:43 -567.337478 34.8083 BFGS: 145 17:00:44 -566.929203 33.8550 BFGS: 146 17:00:44 -566.670337 33.7008 BFGS: 147 17:00:44 -566.398440 33.5479 BFGS: 148 17:00:44 -566.117043 33.3965 BFGS: 149 17:00:44 -565.828460 33.2465 BFGS: 150 17:00:44 -565.534449 33.0980 BFGS: 151 17:00:44 -565.235942 32.9507 BFGS: 152 17:00:44 -564.934014 32.8049 BFGS: 153 17:00:44 -564.628891 32.6603 BFGS: 154 17:00:44 -564.320994 32.5171 BFGS: 155 17:00:44 -564.010705 32.3750 BFGS: 156 17:00:44 -563.698865 33.0288 BFGS: 157 17:00:44 -563.335630 32.0933 BFGS: 158 17:00:44 -563.088667 31.9512 BFGS: 159 17:00:45 -562.824670 31.8102 BFGS: 160 17:00:45 -562.546857 31.6703 BFGS: 161 17:00:45 -562.257358 31.5315 BFGS: 162 17:00:45 -561.957803 31.3937 BFGS: 163 17:00:45 -561.649470 31.2568 BFGS: 164 17:00:45 -561.333422 31.1209 BFGS: 165 17:00:45 -561.010444 30.9860 BFGS: 166 17:00:45 -560.680904 30.8519 BFGS: 167 17:00:45 -560.345569 30.7185 BFGS: 168 17:00:45 -560.004579 30.5860 BFGS: 169 17:00:45 -559.658255 30.4542 BFGS: 170 17:00:45 -559.306957 30.3231 BFGS: 171 17:00:45 -558.950621 30.1927 BFGS: 172 17:00:46 -558.589322 30.0629 BFGS: 173 17:00:46 -558.223337 29.9336 BFGS: 174 17:00:46 -557.852612 29.8050 BFGS: 175 17:00:46 -557.477243 29.6768 BFGS: 176 17:00:46 -557.097107 29.5492 BFGS: 177 17:00:46 -556.712342 29.4219 BFGS: 178 17:00:46 -556.322614 29.2952 BFGS: 179 17:00:46 -555.928179 29.1687 BFGS: 180 17:00:46 -555.528895 29.0427 BFGS: 181 17:00:46 -555.124527 28.9170 BFGS: 182 17:00:46 -554.715253 28.7915 BFGS: 183 17:00:46 -554.300345 28.3514 BFGS: 184 17:00:46 -553.915942 28.2251 BFGS: 185 17:00:47 -553.522210 28.0991 BFGS: 186 17:00:47 -553.119572 27.9735 BFGS: 187 17:00:47 -552.708554 27.8481 BFGS: 188 17:00:47 -552.289472 27.7229 BFGS: 189 17:00:47 -551.862491 27.5978 BFGS: 190 17:00:47 -551.427837 27.4729 BFGS: 191 17:00:47 -550.985680 27.3481 BFGS: 192 17:00:47 -550.536209 27.2233 BFGS: 193 17:00:47 -550.079458 27.0985 BFGS: 194 17:00:47 -549.615308 26.9738 BFGS: 195 17:00:47 -549.143892 26.8490 BFGS: 196 17:00:47 -548.665294 26.7241 BFGS: 197 17:00:47 -548.179378 26.5991 BFGS: 198 17:00:48 -547.686389 26.4738 BFGS: 199 17:00:48 -547.186084 26.3484 BFGS: 200 17:00:48 -546.678556 26.2227 BFGS: 201 17:00:48 -546.164066 26.0966 BFGS: 202 17:00:48 -545.642408 25.9702 BFGS: 203 17:00:48 -545.113793 25.8433 BFGS: 204 17:00:48 -544.578353 25.7160 BFGS: 205 17:00:48 -544.036318 25.5880 BFGS: 206 17:00:48 -543.487889 25.4594 BFGS: 207 17:00:48 -542.933432 25.3299 BFGS: 208 17:00:48 -542.373239 25.1997 BFGS: 209 17:00:48 -541.807700 25.0685 BFGS: 210 17:00:48 -541.237451 24.9363 BFGS: 211 17:00:49 -540.663346 24.8030 BFGS: 212 17:00:49 -540.085636 24.6685 BFGS: 213 17:00:49 -539.505399 24.5327 BFGS: 214 17:00:49 -538.923601 24.3956 BFGS: 215 17:00:49 -538.341010 24.2570 BFGS: 216 17:00:49 -537.758686 24.1171 BFGS: 217 17:00:49 -537.177907 23.9757 BFGS: 218 17:00:49 -536.599458 23.8330 BFGS: 219 17:00:49 -536.024614 23.6889 BFGS: 220 17:00:49 -535.453916 23.5437 BFGS: 221 17:00:49 -534.888262 23.3974 BFGS: 222 17:00:49 -534.328052 23.2504 BFGS: 223 17:00:49 -533.773729 23.1028 BFGS: 224 17:00:49 -533.225082 22.9550 BFGS: 225 17:00:50 -532.681817 22.8073 BFGS: 226 17:00:50 -532.143359 22.6600 BFGS: 227 17:00:50 -531.608660 22.5137 BFGS: 228 17:00:50 -531.076691 22.3685 BFGS: 229 17:00:50 -530.546042 22.2249 BFGS: 230 17:00:50 -530.014722 22.0832 BFGS: 231 17:00:50 -529.481123 21.9438 BFGS: 232 17:00:50 -528.943013 21.8070 BFGS: 233 17:00:50 -528.398694 21.6731 BFGS: 234 17:00:50 -527.845584 21.6017 BFGS: 235 17:00:50 -527.281947 21.5344 BFGS: 236 17:00:50 -526.705708 21.4645 BFGS: 237 17:00:50 -526.114899 21.3917 BFGS: 238 17:00:50 -525.508308 21.3160 BFGS: 239 17:00:51 -524.884175 21.2372 BFGS: 240 17:00:51 -524.241831 21.1554 BFGS: 241 17:00:51 -523.580232 21.0707 BFGS: 242 17:00:51 -522.899062 20.9832 BFGS: 243 17:00:51 -522.198262 20.8931 BFGS: 244 17:00:51 -521.477994 20.8005 BFGS: 245 17:00:51 -520.738906 20.7057 BFGS: 246 17:00:51 -519.981620 20.6090 BFGS: 247 17:00:51 -519.207130 20.5106 BFGS: 248 17:00:51 -518.416653 20.4108 BFGS: 249 17:00:51 -517.611241 20.3100 BFGS: 250 17:00:51 -516.792621 20.2084 BFGS: 251 17:00:51 -515.961846 20.1064 BFGS: 252 17:00:51 -515.120454 20.0043 BFGS: 253 17:00:51 -514.269869 19.9025 BFGS: 254 17:00:52 -513.411329 19.8011 BFGS: 255 17:00:52 -512.546437 19.7005 BFGS: 256 17:00:52 -511.676332 19.6008 BFGS: 257 17:00:52 -510.802359 19.5024 BFGS: 258 17:00:52 -509.925852 19.4054 BFGS: 259 17:00:52 -509.047385 19.3100 BFGS: 260 17:00:52 -508.168136 19.2163 BFGS: 261 17:00:52 -507.289183 19.1246 BFGS: 262 17:00:52 -506.411370 19.0348 BFGS: 263 17:00:52 -505.535481 18.9471 BFGS: 264 17:00:52 -504.662191 18.8614 BFGS: 265 17:00:52 -503.792442 18.7779 BFGS: 266 17:00:52 -502.926448 18.6965 BFGS: 267 17:00:53 -502.064721 18.6171 BFGS: 268 17:00:53 -501.207970 18.5398 BFGS: 269 17:00:53 -500.356097 18.4644 BFGS: 270 17:00:53 -499.509659 18.3908 BFGS: 271 17:00:53 -498.668732 18.3190 BFGS: 272 17:00:53 -497.833243 18.2487 BFGS: 273 17:00:53 -497.003298 18.1798 BFGS: 274 17:00:53 -496.178587 18.1121 BFGS: 275 17:00:53 -495.359112 18.0455 BFGS: 276 17:00:53 -494.550521 17.9801 BFGS: 277 17:00:53 -493.757919 17.6405 BFGS: 278 17:00:53 -493.000509 17.5792 BFGS: 279 17:00:53 -492.256942 17.5189 BFGS: 280 17:00:54 -491.526137 17.4594 BFGS: 281 17:00:54 -490.807505 17.4003 BFGS: 282 17:00:54 -490.099872 17.3417 BFGS: 283 17:00:54 -489.402335 17.2832 BFGS: 284 17:00:54 -488.713809 17.2247 BFGS: 285 17:00:54 -488.033329 17.1662 BFGS: 286 17:00:54 -487.359921 17.1075 BFGS: 287 17:00:54 -486.692712 17.0484 BFGS: 288 17:00:54 -486.030586 16.9890 BFGS: 289 17:00:54 -485.372656 16.9293 BFGS: 290 17:00:54 -484.718311 16.8690 BFGS: 291 17:00:54 -484.066697 16.8084 BFGS: 292 17:00:54 -483.417377 16.7473 BFGS: 293 17:00:55 -482.769489 16.6858 BFGS: 294 17:00:55 -482.122769 16.6240 BFGS: 295 17:00:55 -481.476972 16.5617 BFGS: 296 17:00:55 -480.831643 16.4993 BFGS: 297 17:00:55 -480.186500 16.1170 BFGS: 298 17:00:55 -479.560882 16.0543 BFGS: 299 17:00:55 -478.934139 15.9913 BFGS: 300 17:00:55 -478.306568 15.9283 BFGS: 301 17:00:55 -477.679145 15.8652 BFGS: 302 17:00:55 -477.052385 15.8021 BFGS: 303 17:00:55 -476.427225 15.7391 BFGS: 304 17:00:55 -475.804482 15.6762 BFGS: 305 17:00:55 -475.185195 15.6135 BFGS: 306 17:00:56 -474.570145 15.5509 BFGS: 307 17:00:56 -473.960576 15.4885 BFGS: 308 17:00:56 -473.357234 15.4264 BFGS: 309 17:00:56 -472.761004 15.3644 BFGS: 310 17:00:56 -472.172772 15.3026 BFGS: 311 17:00:56 -471.593403 15.2409 BFGS: 312 17:00:56 -471.023446 15.1792 BFGS: 313 17:00:56 -470.463414 15.1175 BFGS: 314 17:00:56 -469.913308 15.0557 BFGS: 315 17:00:56 -469.373173 14.9936 BFGS: 316 17:00:56 -468.843070 14.9313 BFGS: 317 17:00:56 -468.322568 14.8686 BFGS: 318 17:00:57 -467.811174 14.8056 BFGS: 319 17:00:57 -467.308705 14.7422 BFGS: 320 17:00:57 -466.814532 14.6784 BFGS: 321 17:00:57 -466.328184 14.6143 BFGS: 322 17:00:57 -465.849118 14.5500 BFGS: 323 17:00:57 -465.376579 14.4854 BFGS: 324 17:00:57 -464.910018 14.4206 BFGS: 325 17:00:57 -464.448751 14.3556 BFGS: 326 17:00:57 -463.992073 14.2905 BFGS: 327 17:00:58 -463.539392 14.2253 BFGS: 328 17:00:58 -463.089943 14.1600 BFGS: 329 17:00:58 -462.643200 14.0946 BFGS: 330 17:00:58 -462.198441 14.0292 BFGS: 331 17:00:58 -461.755043 13.9637 BFGS: 332 17:00:58 -461.312481 13.8982 BFGS: 333 17:00:58 -460.870277 13.8327 BFGS: 334 17:00:58 -460.427856 13.7672 BFGS: 335 17:00:58 -459.984905 13.7017 BFGS: 336 17:00:58 -459.541139 13.6361 BFGS: 337 17:00:58 -459.096225 13.5705 BFGS: 338 17:00:58 -458.649809 13.5049 BFGS: 339 17:00:59 -458.201766 13.4393 BFGS: 340 17:00:59 -457.752088 13.3736 BFGS: 341 17:00:59 -457.300785 13.3079 BFGS: 342 17:00:59 -456.847214 12.8912 BFGS: 343 17:00:59 -456.414923 12.8252 BFGS: 344 17:00:59 -455.980346 12.7591 BFGS: 345 17:00:59 -455.543480 12.6930 BFGS: 346 17:00:59 -455.104831 12.6269 BFGS: 347 17:00:59 -454.664852 12.5607 BFGS: 348 17:00:59 -454.223757 12.4944 BFGS: 349 17:00:59 -453.781987 12.4281 BFGS: 350 17:00:59 -453.339929 12.3616 BFGS: 351 17:01:00 -452.897968 12.2950 BFGS: 352 17:01:00 -452.456601 12.2282 BFGS: 353 17:01:00 -452.016114 12.1614 BFGS: 354 17:01:00 -451.576977 12.0944 BFGS: 355 17:01:00 -451.139497 12.0273 BFGS: 356 17:01:00 -450.704121 11.9601 BFGS: 357 17:01:00 -450.271128 11.8927 BFGS: 358 17:01:00 -449.840920 11.8251 BFGS: 359 17:01:00 -449.413698 11.7575 BFGS: 360 17:01:00 -448.989734 11.6897 BFGS: 361 17:01:00 -448.569308 11.6218 BFGS: 362 17:01:00 -448.152604 11.5539 BFGS: 363 17:01:01 -447.739752 11.4858 BFGS: 364 17:01:01 -447.331111 11.4176 BFGS: 365 17:01:01 -446.926543 11.3495 BFGS: 366 17:01:01 -446.526194 11.2813 BFGS: 367 17:01:01 -446.130183 11.2131 BFGS: 368 17:01:01 -445.738537 11.1449 BFGS: 369 17:01:01 -445.351109 11.0767 BFGS: 370 17:01:01 -444.968020 11.0087 BFGS: 371 17:01:01 -444.589051 10.9408 BFGS: 372 17:01:01 -444.214262 10.8730 BFGS: 373 17:01:01 -443.843258 10.8054 BFGS: 374 17:01:01 -443.476254 10.7380 BFGS: 375 17:01:01 -443.112704 10.6709 BFGS: 376 17:01:01 -442.752478 10.6041 BFGS: 377 17:01:01 -442.395481 10.5376 BFGS: 378 17:01:02 -442.041270 10.4715 BFGS: 379 17:01:02 -441.689661 10.4059 BFGS: 380 17:01:02 -441.340181 10.3407 BFGS: 381 17:01:02 -440.992635 10.2759 BFGS: 382 17:01:02 -440.646544 10.2118 BFGS: 383 17:01:02 -440.301628 10.1481 BFGS: 384 17:01:02 -439.957229 10.0851 BFGS: 385 17:01:02 -439.613120 10.0227 BFGS: 386 17:01:02 -439.268645 9.9610 BFGS: 387 17:01:02 -438.923436 9.9190 BFGS: 388 17:01:02 -438.576822 9.8788 BFGS: 389 17:01:02 -438.228291 9.8385 BFGS: 390 17:01:02 -437.877101 9.7980 BFGS: 391 17:01:02 -437.522671 9.7576 BFGS: 392 17:01:03 -437.164391 9.7170 BFGS: 393 17:01:03 -436.801508 9.6765 BFGS: 394 17:01:03 -436.433352 9.6361 BFGS: 395 17:01:03 -436.059039 9.6036 BFGS: 396 17:01:03 -435.677783 9.5850 BFGS: 397 17:01:03 -435.288747 9.5654 BFGS: 398 17:01:03 -434.891250 9.5446 BFGS: 399 17:01:03 -434.484156 9.5226 BFGS: 400 17:01:03 -434.066814 9.4995 BFGS: 401 17:01:03 -433.638097 9.4752 BFGS: 402 17:01:03 -433.197278 9.4495 BFGS: 403 17:01:03 -432.743409 9.4224 BFGS: 404 17:01:03 -432.275726 9.3940 BFGS: 405 17:01:03 -431.793375 9.3641 BFGS: 406 17:01:04 -431.295854 9.3327 BFGS: 407 17:01:04 -430.782278 9.2998 BFGS: 408 17:01:04 -430.252301 9.2654 BFGS: 409 17:01:04 -429.705714 9.2294 BFGS: 410 17:01:04 -429.142128 9.1920 BFGS: 411 17:01:04 -428.561925 9.1529 BFGS: 412 17:01:04 -427.965178 9.1124 BFGS: 413 17:01:04 -427.352640 9.0703 BFGS: 414 17:01:04 -426.729253 9.0270 BFGS: 415 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0.0025 BFGS: 2984 17:03:47 -230.570972 0.0023 BFGS: 2985 17:03:47 -230.565177 0.0021 BFGS: 2986 17:03:47 -230.545650 0.0250 BFGS: 2987 17:03:47 -230.524373 0.0016 BFGS: 2988 17:03:47 -230.522549 0.0016 BFGS: 2989 17:03:47 -230.518470 0.0017 BFGS: 2990 17:03:47 -230.513909 0.0312 BFGS: 2991 17:03:47 -230.518160 0.0017 BFGS: 2992 17:03:47 -230.517865 0.0017 BFGS: 2993 17:03:47 -230.514073 0.0016 BFGS: 2994 17:03:48 -230.509663 0.0015 BFGS: 2995 17:03:48 -230.492950 0.0317 BFGS: 2996 17:03:48 -230.508907 0.0015 BFGS: 2997 17:03:48 -230.508189 0.0015 BFGS: 2998 17:03:48 -230.502105 0.0014 BFGS: 2999 17:03:48 -230.497586 0.0247 BFGS: 3000 17:03:48 -230.494307 0.0013 BFGS: 3001 17:03:48 -230.494030 0.0013 BFGS: 3002 17:03:48 -230.493330 0.0013 BFGS: 3003 17:03:48 -230.493115 0.0054 BFGS: 3004 17:03:48 -230.490807 0.0012 BFGS: 3005 17:03:48 -230.490239 0.0012 BFGS: 3006 17:03:48 -230.484766 0.0244 BFGS: 3007 17:03:48 -230.480463 0.0052 BFGS: 3008 17:03:49 -230.479883 0.0318 BFGS: 3009 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0.0049 BFGS: 3035 17:03:51 -230.446571 0.0322 BFGS: 3036 17:03:51 -230.451834 0.0321 BFGS: 3037 17:03:51 -230.571811 0.0259 BFGS: 3038 17:03:51 -230.513140 0.0061 BFGS: 3039 17:03:51 -230.504558 0.0248 BFGS: 3040 17:03:51 -230.495224 0.0299 BFGS: 3041 17:03:51 -230.433620 0.0098 BFGS: 3042 17:03:51 -230.437819 0.0324 BFGS: 3043 17:03:51 -230.443462 0.0314 BFGS: 3044 17:03:51 -230.444017 0.0315 BFGS: 3045 17:03:51 -230.448851 0.0240 BFGS: 3046 17:03:51 -230.447533 0.0323 BFGS: 3047 17:03:51 -230.449246 0.0323 BFGS: 3048 17:03:52 -230.513841 0.0305 BFGS: 3049 17:03:52 -230.602523 0.0288 BFGS: 3050 17:03:52 -230.573858 0.0298 BFGS: 3051 17:03:52 -230.590133 0.0112 BFGS: 3052 17:03:52 -230.589111 0.0024 BFGS: 3053 17:03:52 -230.587549 0.0024 BFGS: 3054 17:03:52 -230.584037 0.0026 BFGS: 3055 17:03:52 -230.579388 0.0026 BFGS: 3056 17:03:52 -230.559374 0.0067 BFGS: 3057 17:03:52 -230.511259 0.0072 BFGS: 3058 17:03:52 -230.499111 0.0034 BFGS: 3059 17:03:52 -230.465506 0.0051 BFGS: 3060 17:03:52 -230.426193 0.0326 BFGS: 3061 17:03:52 -230.459790 0.0123 BFGS: 3062 17:03:52 -230.450815 0.0322 BFGS: 3063 17:03:52 -230.458079 0.0321 BFGS: 3064 17:03:53 -230.587674 0.0092 BFGS: 3065 17:03:53 -230.576369 0.0028 BFGS: 3066 17:03:53 -230.557729 0.0022 BFGS: 3067 17:03:53 -230.533838 0.0039 BFGS: 3068 17:03:53 -230.459232 0.0320 BFGS: 3069 17:03:53 -230.528885 0.0252 BFGS: 3070 17:03:53 -230.499819 0.0315 BFGS: 3071 17:03:53 -230.515570 0.0016 BFGS: 3072 17:03:53 -230.514693 0.0016 BFGS: 3073 17:03:53 -230.509347 0.0014 BFGS: 3074 17:03:53 -230.503520 0.0301 BFGS: 3075 17:03:53 -230.499256 0.0016 BFGS: 3076 17:03:53 -230.498953 0.0013 BFGS: 3077 17:03:53 -230.498212 0.0013 BFGS: 3078 17:03:53 -230.497621 0.0013 BFGS: 3079 17:03:54 -230.495278 0.0055 BFGS: 3080 17:03:54 -230.488308 0.0245 BFGS: 3081 17:03:54 -230.483288 0.0317 BFGS: 3082 17:03:54 -230.486507 0.0054 BFGS: 3083 17:03:54 -230.486899 0.0317 BFGS: 3084 17:03:54 -230.487432 0.0317 BFGS: 3085 17:03:54 -230.615779 0.0184 BFGS: 3086 17:03:54 -230.593116 0.0109 BFGS: 3087 17:03:54 -230.544218 0.0031 BFGS: 3088 17:03:54 -230.536322 0.0035 BFGS: 3089 17:03:54 -230.463659 0.0319 BFGS: 3090 17:03:54 -230.532224 0.0018 BFGS: 3091 17:03:54 -230.528449 0.0018 BFGS: 3092 17:03:55 -230.460888 0.0319 BFGS: 3093 17:03:55 -230.524418 0.0017 BFGS: 3094 17:03:55 -230.520811 0.0017 BFGS: 3095 17:03:55 -230.445641 0.0321 BFGS: 3096 17:03:55 -230.516736 0.0016 BFGS: 3097 17:03:55 -230.513016 0.0016 BFGS: 3098 17:03:55 -230.391764 0.0329 BFGS: 3099 17:03:55 -230.506919 0.0015 BFGS: 3100 17:03:55 -230.501367 0.0014 BFGS: 3101 17:03:55 -230.372835 0.0332 BFGS: 3102 17:03:55 -230.494455 0.0300 BFGS: 3103 17:03:55 -230.437459 0.0324 BFGS: 3104 17:03:56 -230.468161 0.0320 BFGS: 3105 17:03:56 -230.596544 0.0028 BFGS: 3106 17:03:56 -230.586268 0.0026 BFGS: 3107 17:03:56 -230.462884 0.0321 BFGS: 3108 17:03:56 -230.576816 0.0025 BFGS: 3109 17:03:56 -230.568441 0.0023 BFGS: 3110 17:03:56 -230.444121 0.0047 BFGS: 3111 17:03:56 -230.318503 0.0341 BFGS: 3112 17:03:56 -230.427376 0.0045 BFGS: 3113 17:03:56 -230.413360 0.0043 BFGS: 3114 17:03:56 -230.277445 0.0345 BFGS: 3115 17:03:56 -230.397513 0.0329 BFGS: 3116 17:03:56 -230.530137 0.0017 BFGS: 3117 17:03:57 -230.521890 0.0250 BFGS: 3118 17:03:57 -230.514541 0.0014 BFGS: 3119 17:03:57 -230.513986 0.0015 BFGS: 3120 17:03:57 -230.511448 0.0302 BFGS: 3121 17:03:57 -230.509805 0.0248 BFGS: 3122 17:03:57 -230.503057 0.0014 BFGS: 3123 17:03:57 -230.502666 0.0013 BFGS: 3124 17:03:57 -230.500941 0.0247 BFGS: 3125 17:03:57 -230.500820 0.0013 BFGS: 3126 17:03:57 -230.500756 0.0013 BFGS: 3127 17:03:57 -230.500687 0.0013 BFGS: 3128 17:03:57 -230.500280 0.0014 BFGS: 3129 17:03:57 -230.501658 0.0315 BFGS: 3130 17:03:57 -230.499452 0.0247 BFGS: 3131 17:03:58 -230.500087 0.0014 BFGS: 3132 17:03:58 -230.500079 0.0014 BFGS: 3133 17:03:58 -230.500054 0.0014 BFGS: 3134 17:03:58 -230.500020 0.0014 BFGS: 3135 17:03:58 -230.499125 0.0247 BFGS: 3136 17:03:58 -230.499830 0.0014 BFGS: 3137 17:03:58 -230.499823 0.0014 BFGS: 3138 17:03:58 -230.499776 0.0014 BFGS: 3139 17:03:58 -230.499730 0.0014 BFGS: 3140 17:03:58 -230.498726 0.0247 BFGS: 3141 17:03:58 -230.497878 0.0565 BFGS: 3142 17:03:58 -230.498826 0.0014 BFGS: 3143 17:03:58 -230.498005 0.0247 BFGS: 3144 17:03:58 -230.498741 0.0014 BFGS: 3145 17:03:58 -230.498812 0.0014 BFGS: 3146 17:03:59 -230.498817 0.0014 BFGS: 3147 17:03:59 -230.498817 0.0014 BFGS: 3148 17:03:59 -230.498816 0.0013 BFGS: 3149 17:03:59 -230.498004 0.0247 BFGS: 3150 17:03:59 -230.498812 0.0013 BFGS: 3151 17:03:59 -230.498812 0.0013 BFGS: 3152 17:03:59 -230.498002 0.0247 BFGS: 3153 17:03:59 -230.498740 0.0050 BFGS: 3154 17:03:59 -230.498812 0.0013 BFGS: 3155 17:03:59 -230.498813 0.0012 BFGS: 3156 17:03:59 -230.498813 0.0012 BFGS: 3157 17:03:59 -230.498002 0.0246 BFGS: 3158 17:03:59 -230.498810 0.0013 BFGS: 3159 17:03:59 -230.498810 0.0013 BFGS: 3160 17:04:00 -230.498811 0.0013 BFGS: 3161 17:04:00 -230.498810 0.0013 BFGS: 3162 17:04:00 -230.498810 0.0013 BFGS: 3163 17:04:00 -230.498810 0.0013 BFGS: 3164 17:04:00 -230.498810 0.0013 BFGS: 3165 17:04:00 -230.498810 0.0013 BFGS: 3166 17:04:00 -230.498000 0.0247 BFGS: 3167 17:04:00 -230.497387 0.0565 BFGS: 3168 17:04:00 -230.498807 0.0013 BFGS: 3169 17:04:00 -230.498809 0.0013 BFGS: 3170 17:04:00 -230.498810 0.0013 BFGS: 3171 17:04:00 -230.498810 0.0013 BFGS: 3172 17:04:00 -230.498809 0.0013 BFGS: 3173 17:04:00 -230.498809 0.0013 BFGS: 3174 17:04:01 -230.498809 0.0013 BFGS: 3175 17:04:01 -230.498809 0.0013 BFGS: 3176 17:04:01 -230.498809 0.0013 BFGS: 3177 17:04:01 -230.498809 0.0013 BFGS: 3178 17:04:01 -230.497999 0.0247 BFGS: 3179 17:04:01 -230.498809 0.0013 BFGS: 3180 17:04:01 -230.498809 0.0013 BFGS: 3181 17:04:01 -230.497999 0.0247 BFGS: 3182 17:04:01 -230.498809 0.0013 BFGS: 3183 17:04:01 -230.498809 0.0013 BFGS: 3184 17:04:01 -230.498809 0.0013 BFGS: 3185 17:04:01 -230.498809 0.0013 BFGS: 3186 17:04:01 -230.497998 0.0247 BFGS: 3187 17:04:01 -230.498808 0.0013 BFGS: 3188 17:04:01 -230.498808 0.0013 BFGS: 3189 17:04:01 -230.498808 0.0013 BFGS: 3190 17:04:02 -230.498808 0.0013 BFGS: 3191 17:04:02 -230.498807 0.0013 BFGS: 3192 17:04:02 -230.498807 0.0013 BFGS: 3193 17:04:02 -230.498804 0.0013 BFGS: 3194 17:04:02 -230.498798 0.0013 BFGS: 3195 17:04:02 -230.498780 0.0013 BFGS: 3196 17:04:02 -230.497923 0.0247 BFGS: 3197 17:04:02 -230.498680 0.0013 BFGS: 3198 17:04:02 -230.498676 0.0013 BFGS: 3199 17:04:02 -230.498663 0.0013 BFGS: 3200 17:04:02 -230.498649 0.0013 BFGS: 3201 17:04:02 -230.498627 0.0013 BFGS: 3202 17:04:02 -230.497786 0.0247 BFGS: 3203 17:04:02 -230.498563 0.0013 BFGS: 3204 17:04:02 -230.497750 0.0247 BFGS: 3205 17:04:02 -230.498557 0.0013 BFGS: 3206 17:04:03 -230.498557 0.0013 BFGS: 3207 17:04:03 -230.498556 0.0013 BFGS: 3208 17:04:03 -230.498556 0.0013 BFGS: 3209 17:04:03 -230.498547 0.0013 BFGS: 3210 17:04:03 -230.498530 0.0013 BFGS: 3211 17:04:03 -230.497659 0.0247 BFGS: 3212 17:04:03 -230.497589 0.0247 BFGS: 3213 17:04:03 -230.494725 0.0043 BFGS: 3214 17:04:03 -230.496098 0.0021 BFGS: 3215 17:04:03 -230.496513 0.0247 BFGS: 3216 17:04:03 -230.496414 0.0013 BFGS: 3217 17:04:03 -230.496492 0.0013 BFGS: 3218 17:04:03 -230.496600 0.0013 BFGS: 3219 17:04:03 -230.496569 0.0013 BFGS: 3220 17:04:03 -230.495175 0.0316 BFGS: 3221 17:04:03 -230.496455 0.0013 BFGS: 3222 17:04:04 -230.495537 0.0247 BFGS: 3223 17:04:04 -230.496235 0.0013 BFGS: 3224 17:04:04 -230.496230 0.0013 BFGS: 3225 17:04:04 -230.495407 0.0247 BFGS: 3226 17:04:04 -230.496205 0.0013 BFGS: 3227 17:04:04 -230.495394 0.0247 BFGS: 3228 17:04:04 -230.495393 0.0247 BFGS: 3229 17:04:04 -230.497656 0.0316 BFGS: 3230 17:04:04 -230.497854 0.0316 BFGS: 3231 17:04:04 -230.498738 0.0315 BFGS: 3232 17:04:04 -230.498568 0.0056 BFGS: 3233 17:04:04 -230.499284 0.0315 BFGS: 3234 17:04:04 -230.498482 0.0056 BFGS: 3235 17:04:04 -230.499473 0.0315 BFGS: 3236 17:04:04 -230.499523 0.0315 BFGS: 3237 17:04:04 -230.497867 0.0247 BFGS: 3238 17:04:05 -230.500018 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17:07:36 -231.022315 0.0265 BFGS: 8518 17:07:36 -231.023357 0.0207 BFGS: 8519 17:07:36 -231.023357 0.0207 BFGS: 8520 17:07:36 -231.023357 0.0207 BFGS: 8521 17:07:36 -231.022317 0.0202 BFGS: 8522 17:07:36 -231.023357 0.0207 BFGS: 8523 17:07:36 -231.023357 0.0207 BFGS: 8524 17:07:36 -231.023357 0.0207 BFGS: 8525 17:07:37 -231.022317 0.0202 BFGS: 8526 17:07:37 -231.023357 0.0207 BFGS: 8527 17:07:37 -231.023357 0.0207 BFGS: 8528 17:07:37 -231.023357 0.0207 BFGS: 8529 17:07:37 -231.023357 0.0207 BFGS: 8530 17:07:37 -231.023357 0.0207 BFGS: 8531 17:07:37 -231.023357 0.0207 BFGS: 8532 17:07:37 -231.023357 0.0207 BFGS: 8533 17:07:37 -231.023357 0.0207 BFGS: 8534 17:07:37 -231.022315 0.0265 BFGS: 8535 17:07:37 -231.022318 0.0202 BFGS: 8536 17:07:37 -231.023357 0.0207 BFGS: 8537 17:07:37 -231.023357 0.0207 BFGS: 8538 17:07:37 -231.022318 0.0202 BFGS: 8539 17:07:37 -231.022317 0.0202 BFGS: 8540 17:07:37 -231.023357 0.0207 BFGS: 8541 17:07:37 -231.023357 0.0207 BFGS: 8542 17:07:37 -231.022315 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0.0207 BFGS: 9665 17:08:13 -231.023357 0.0207 BFGS: 9666 17:08:13 -231.022318 0.0202 BFGS: 9667 17:08:13 -231.023357 0.0207 BFGS: 9668 17:08:13 -231.023357 0.0207 BFGS: 9669 17:08:13 -231.023357 0.0207 BFGS: 9670 17:08:13 -231.023357 0.0207 BFGS: 9671 17:08:13 -231.023357 0.0207 BFGS: 9672 17:08:13 -231.023357 0.0207 BFGS: 9673 17:08:13 -231.023357 0.0207 BFGS: 9674 17:08:13 -231.022317 0.0202 BFGS: 9675 17:08:13 -231.023357 0.0207 BFGS: 9676 17:08:13 -231.022317 0.0202 BFGS: 9677 17:08:13 -231.023357 0.0207 BFGS: 9678 17:08:13 -231.021466 0.0466 BFGS: 9679 17:08:13 -231.023357 0.0207 BFGS: 9680 17:08:13 -231.023357 0.0207 BFGS: 9681 17:08:13 -231.023357 0.0207 BFGS: 9682 17:08:13 -231.023357 0.0207 BFGS: 9683 17:08:13 -231.023357 0.0207 BFGS: 9684 17:08:13 -231.022317 0.0202 BFGS: 9685 17:08:13 -231.023357 0.0207 BFGS: 9686 17:08:13 -231.023357 0.0207 BFGS: 9687 17:08:13 -231.023357 0.0207 BFGS: 9688 17:08:13 -231.023357 0.0207 BFGS: 9689 17:08:14 -231.023357 0.0207 BFGS: 9690 17:08:14 -231.023357 0.0207 BFGS: 9691 17:08:14 -231.023357 0.0207 BFGS: 9692 17:08:14 -231.023357 0.0207 BFGS: 9693 17:08:14 -231.023357 0.0207 BFGS: 9694 17:08:14 -231.022317 0.0202 BFGS: 9695 17:08:14 -231.023357 0.0207 BFGS: 9696 17:08:14 -231.023357 0.0207 BFGS: 9697 17:08:14 -231.023357 0.0207 BFGS: 9698 17:08:14 -231.023357 0.0207 BFGS: 9699 17:08:14 -231.023357 0.0207 BFGS: 9700 17:08:14 -231.023357 0.0207 BFGS: 9701 17:08:14 -231.023357 0.0207 BFGS: 9702 17:08:14 -231.023357 0.0207 BFGS: 9703 17:08:14 -231.022318 0.0202 BFGS: 9704 17:08:14 -231.023357 0.0207 BFGS: 9705 17:08:14 -231.023357 0.0207 BFGS: 9706 17:08:14 -231.022318 0.0202 BFGS: 9707 17:08:14 -231.023357 0.0207 BFGS: 9708 17:08:14 -231.022317 0.0202 BFGS: 9709 17:08:14 -231.023357 0.0207 BFGS: 9710 17:08:14 -231.023357 0.0207 BFGS: 9711 17:08:14 -231.023357 0.0207 BFGS: 9712 17:08:14 -231.023357 0.0207 BFGS: 9713 17:08:14 -231.023357 0.0207 BFGS: 9714 17:08:14 -231.022318 0.0202 BFGS: 9715 17:08:14 -231.023357 0.0207 BFGS: 9716 17:08:14 -231.023357 0.0207 BFGS: 9717 17:08:14 -231.022318 0.0202 BFGS: 9718 17:08:14 -231.023357 0.0207 BFGS: 9719 17:08:14 -231.022318 0.0202 BFGS: 9720 17:08:14 -231.023357 0.0207 BFGS: 9721 17:08:14 -231.022318 0.0202 BFGS: 9722 17:08:15 -231.023357 0.0207 BFGS: 9723 17:08:15 -231.023357 0.0207 BFGS: 9724 17:08:15 -231.022318 0.0202 BFGS: 9725 17:08:15 -231.023357 0.0207 BFGS: 9726 17:08:15 -231.022318 0.0202 BFGS: 9727 17:08:15 -231.023357 0.0207 BFGS: 9728 17:08:15 -231.023357 0.0207 BFGS: 9729 17:08:15 -231.023357 0.0207 BFGS: 9730 17:08:15 -231.023357 0.0207 BFGS: 9731 17:08:15 -231.023357 0.0207 BFGS: 9732 17:08:15 -231.023357 0.0207 BFGS: 9733 17:08:15 -231.023357 0.0207 BFGS: 9734 17:08:15 -231.023357 0.0207 BFGS: 9735 17:08:15 -231.023357 0.0207 BFGS: 9736 17:08:15 -231.022318 0.0202 BFGS: 9737 17:08:15 -231.022318 0.0202 BFGS: 9738 17:08:15 -231.023357 0.0207 BFGS: 9739 17:08:15 -231.023357 0.0207 BFGS: 9740 17:08:15 -231.023357 0.0207 BFGS: 9741 17:08:15 -231.023357 0.0207 BFGS: 9742 17:08:15 -231.022318 0.0202 BFGS: 9743 17:08:15 -231.023357 0.0207 BFGS: 9744 17:08:15 -231.022318 0.0202 BFGS: 9745 17:08:15 -231.023357 0.0207 BFGS: 9746 17:08:15 -231.022315 0.0265 BFGS: 9747 17:08:15 -231.023357 0.0207 BFGS: 9748 17:08:15 -231.022317 0.0202 BFGS: 9749 17:08:15 -231.022315 0.0265 BFGS: 9750 17:08:15 -231.023357 0.0207 BFGS: 9751 17:08:15 -231.022318 0.0202 BFGS: 9752 17:08:15 -231.022315 0.0265 BFGS: 9753 17:08:15 -231.023357 0.0207 BFGS: 9754 17:08:15 -231.022318 0.0202 BFGS: 9755 17:08:15 -231.023357 0.0207 BFGS: 9756 17:08:16 -231.023357 0.0207 BFGS: 9757 17:08:16 -231.023357 0.0207 BFGS: 9758 17:08:16 -231.022318 0.0202 BFGS: 9759 17:08:16 -231.022318 0.0202 BFGS: 9760 17:08:16 -231.023357 0.0207 BFGS: 9761 17:08:16 -231.023357 0.0207 BFGS: 9762 17:08:16 -231.023357 0.0207 BFGS: 9763 17:08:16 -231.023357 0.0207 BFGS: 9764 17:08:16 -231.023357 0.0207 BFGS: 9765 17:08:16 -231.023357 0.0207 BFGS: 9766 17:08:16 -231.023357 0.0207 BFGS: 9767 17:08:16 -231.023357 0.0207 BFGS: 9768 17:08:16 -231.023357 0.0207 BFGS: 9769 17:08:16 -231.022317 0.0202 BFGS: 9770 17:08:16 -231.023357 0.0207 BFGS: 9771 17:08:16 -231.023357 0.0207 BFGS: 9772 17:08:16 -231.023357 0.0207 BFGS: 9773 17:08:16 -231.023357 0.0207 BFGS: 9774 17:08:16 -231.023357 0.0207 BFGS: 9775 17:08:16 -231.023357 0.0207 BFGS: 9776 17:08:16 -231.023357 0.0207 BFGS: 9777 17:08:16 -231.023357 0.0207 BFGS: 9778 17:08:16 -231.023357 0.0207 BFGS: 9779 17:08:16 -231.023357 0.0207 BFGS: 9780 17:08:16 -231.023357 0.0207 BFGS: 9781 17:08:16 -231.022315 0.0265 BFGS: 9782 17:08:16 -231.022318 0.0202 BFGS: 9783 17:08:16 -231.023357 0.0207 BFGS: 9784 17:08:16 -231.023357 0.0207 BFGS: 9785 17:08:16 -231.022318 0.0202 BFGS: 9786 17:08:16 -231.022317 0.0202 BFGS: 9787 17:08:16 -231.023357 0.0207 BFGS: 9788 17:08:16 -231.023357 0.0207 BFGS: 9789 17:08:16 -231.023357 0.0207 BFGS: 9790 17:08:17 -231.023357 0.0207 BFGS: 9791 17:08:17 -231.023357 0.0207 BFGS: 9792 17:08:17 -231.023357 0.0207 BFGS: 9793 17:08:17 -231.023357 0.0207 BFGS: 9794 17:08:17 -231.023357 0.0207 BFGS: 9795 17:08:17 -231.023357 0.0207 BFGS: 9796 17:08:17 -231.023357 0.0207 BFGS: 9797 17:08:17 -231.021466 0.0466 BFGS: 9798 17:08:17 -231.022317 0.0202 BFGS: 9799 17:08:17 -231.023357 0.0207 BFGS: 9800 17:08:17 -231.023357 0.0207 BFGS: 9801 17:08:17 -231.022318 0.0202 BFGS: 9802 17:08:17 -231.023357 0.0207 BFGS: 9803 17:08:17 -231.023357 0.0207 BFGS: 9804 17:08:17 -231.022317 0.0202 BFGS: 9805 17:08:17 -231.023357 0.0207 BFGS: 9806 17:08:17 -231.022315 0.0265 BFGS: 9807 17:08:17 -231.022318 0.0202 BFGS: 9808 17:08:17 -231.023357 0.0207 BFGS: 9809 17:08:17 -231.023357 0.0207 BFGS: 9810 17:08:17 -231.023357 0.0207 BFGS: 9811 17:08:17 -231.023357 0.0207 BFGS: 9812 17:08:17 -231.023357 0.0207 BFGS: 9813 17:08:17 -231.022315 0.0265 BFGS: 9814 17:08:17 -231.023357 0.0207 BFGS: 9815 17:08:17 -231.023357 0.0207 BFGS: 9816 17:08:17 -231.022318 0.0202 BFGS: 9817 17:08:17 -231.023357 0.0207 BFGS: 9818 17:08:17 -231.023357 0.0207 BFGS: 9819 17:08:17 -231.023357 0.0207 BFGS: 9820 17:08:17 -231.023357 0.0207 BFGS: 9821 17:08:17 -231.023357 0.0207 BFGS: 9822 17:08:17 -231.023357 0.0207 BFGS: 9823 17:08:17 -231.023357 0.0207 BFGS: 9824 17:08:18 -231.023357 0.0207 BFGS: 9825 17:08:18 -231.023357 0.0207 BFGS: 9826 17:08:18 -231.023357 0.0207 BFGS: 9827 17:08:18 -231.022317 0.0202 BFGS: 9828 17:08:18 -231.023357 0.0207 BFGS: 9829 17:08:18 -231.022315 0.0265 BFGS: 9830 17:08:18 -231.023357 0.0207 BFGS: 9831 17:08:18 -231.022318 0.0202 BFGS: 9832 17:08:18 -231.023357 0.0207 BFGS: 9833 17:08:18 -231.023357 0.0207 BFGS: 9834 17:08:18 -231.022317 0.0202 BFGS: 9835 17:08:18 -231.023357 0.0207 BFGS: 9836 17:08:18 -231.022317 0.0202 BFGS: 9837 17:08:18 -231.023357 0.0207 BFGS: 9838 17:08:18 -231.021466 0.0466 BFGS: 9839 17:08:18 -231.023357 0.0207 BFGS: 9840 17:08:18 -231.023357 0.0207 BFGS: 9841 17:08:18 -231.023357 0.0207 BFGS: 9842 17:08:18 -231.023357 0.0207 BFGS: 9843 17:08:18 -231.023357 0.0207 BFGS: 9844 17:08:18 -231.022317 0.0202 BFGS: 9845 17:08:18 -231.023357 0.0207 BFGS: 9846 17:08:18 -231.023357 0.0207 BFGS: 9847 17:08:18 -231.023357 0.0207 BFGS: 9848 17:08:18 -231.023357 0.0207 BFGS: 9849 17:08:18 -231.023357 0.0207 BFGS: 9850 17:08:18 -231.023357 0.0207 BFGS: 9851 17:08:18 -231.023357 0.0207 BFGS: 9852 17:08:18 -231.023357 0.0207 BFGS: 9853 17:08:18 -231.022315 0.0265 BFGS: 9854 17:08:18 -231.023357 0.0207 BFGS: 9855 17:08:18 -231.023357 0.0207 BFGS: 9856 17:08:18 -231.023357 0.0207 BFGS: 9857 17:08:18 -231.023357 0.0207 BFGS: 9858 17:08:18 -231.023357 0.0207 BFGS: 9859 17:08:18 -231.023357 0.0207 BFGS: 9860 17:08:18 -231.023357 0.0207 BFGS: 9861 17:08:18 -231.023357 0.0207 BFGS: 9862 17:08:19 -231.022317 0.0202 BFGS: 9863 17:08:19 -231.023357 0.0207 BFGS: 9864 17:08:19 -231.022315 0.0265 BFGS: 9865 17:08:19 -231.022318 0.0202 BFGS: 9866 17:08:19 -231.023357 0.0207 BFGS: 9867 17:08:19 -231.023357 0.0207 BFGS: 9868 17:08:19 -231.023357 0.0207 BFGS: 9869 17:08:19 -231.023357 0.0207 BFGS: 9870 17:08:19 -231.023357 0.0207 BFGS: 9871 17:08:19 -231.023357 0.0207 BFGS: 9872 17:08:19 -231.023357 0.0207 BFGS: 9873 17:08:19 -231.023357 0.0207 BFGS: 9874 17:08:19 -231.023357 0.0207 BFGS: 9875 17:08:19 -231.023357 0.0207 BFGS: 9876 17:08:19 -231.023357 0.0207 BFGS: 9877 17:08:19 -231.023357 0.0207 BFGS: 9878 17:08:19 -231.023357 0.0207 BFGS: 9879 17:08:19 -231.023357 0.0207 BFGS: 9880 17:08:19 -231.023357 0.0207 BFGS: 9881 17:08:19 -231.023357 0.0207 BFGS: 9882 17:08:19 -231.022317 0.0202 BFGS: 9883 17:08:19 -231.023357 0.0207 BFGS: 9884 17:08:19 -231.022315 0.0265 BFGS: 9885 17:08:19 -231.023357 0.0207 BFGS: 9886 17:08:19 -231.023357 0.0207 BFGS: 9887 17:08:19 -231.023357 0.0207 BFGS: 9888 17:08:19 -231.022318 0.0202 BFGS: 9889 17:08:19 -231.023357 0.0207 BFGS: 9890 17:08:19 -231.023357 0.0207 BFGS: 9891 17:08:19 -231.023357 0.0207 BFGS: 9892 17:08:19 -231.023357 0.0207 BFGS: 9893 17:08:19 -231.022317 0.0202 BFGS: 9894 17:08:19 -231.023357 0.0207 BFGS: 9895 17:08:19 -231.022317 0.0202 BFGS: 9896 17:08:19 -231.023357 0.0207 BFGS: 9897 17:08:19 -231.022317 0.0202 BFGS: 9898 17:08:19 -231.022317 0.0202 BFGS: 9899 17:08:19 -231.023357 0.0207 BFGS: 9900 17:08:19 -231.021466 0.0466 BFGS: 9901 17:08:20 -231.023357 0.0207 BFGS: 9902 17:08:20 -231.023357 0.0207 BFGS: 9903 17:08:20 -231.023357 0.0207 BFGS: 9904 17:08:20 -231.023357 0.0207 BFGS: 9905 17:08:20 -231.023357 0.0207 BFGS: 9906 17:08:20 -231.023357 0.0207 BFGS: 9907 17:08:20 -231.022317 0.0202 BFGS: 9908 17:08:20 -231.023357 0.0207 BFGS: 9909 17:08:20 -231.022317 0.0202 BFGS: 9910 17:08:20 -231.023357 0.0207 BFGS: 9911 17:08:20 -231.023357 0.0207 BFGS: 9912 17:08:20 -231.021467 0.0466 BFGS: 9913 17:08:20 -231.023357 0.0207 BFGS: 9914 17:08:20 -231.022317 0.0202 BFGS: 9915 17:08:20 -231.022317 0.0202 BFGS: 9916 17:08:20 -231.023357 0.0207 BFGS: 9917 17:08:20 -231.023357 0.0207 BFGS: 9918 17:08:20 -231.023357 0.0207 BFGS: 9919 17:08:20 -231.023357 0.0207 BFGS: 9920 17:08:20 -231.023357 0.0207 BFGS: 9921 17:08:20 -231.023357 0.0207 BFGS: 9922 17:08:20 -231.023357 0.0207 BFGS: 9923 17:08:20 -231.022317 0.0202 BFGS: 9924 17:08:20 -231.022317 0.0202 BFGS: 9925 17:08:20 -231.023357 0.0207 BFGS: 9926 17:08:20 -231.023357 0.0207 BFGS: 9927 17:08:20 -231.023357 0.0207 BFGS: 9928 17:08:20 -231.023357 0.0207 BFGS: 9929 17:08:20 -231.023357 0.0207 BFGS: 9930 17:08:20 -231.022318 0.0202 BFGS: 9931 17:08:20 -231.022315 0.0265 BFGS: 9932 17:08:20 -231.022318 0.0202 BFGS: 9933 17:08:20 -231.023357 0.0207 BFGS: 9934 17:08:20 -231.023357 0.0207 BFGS: 9935 17:08:21 -231.023357 0.0207 BFGS: 9936 17:08:21 -231.023357 0.0207 BFGS: 9937 17:08:21 -231.023357 0.0207 BFGS: 9938 17:08:21 -231.022318 0.0202 BFGS: 9939 17:08:21 -231.023357 0.0207 BFGS: 9940 17:08:21 -231.023357 0.0207 BFGS: 9941 17:08:21 -231.023357 0.0207 BFGS: 9942 17:08:21 -231.023357 0.0207 BFGS: 9943 17:08:21 -231.023357 0.0207 BFGS: 9944 17:08:21 -231.023357 0.0207 BFGS: 9945 17:08:21 -231.023357 0.0207 BFGS: 9946 17:08:21 -231.023357 0.0207 BFGS: 9947 17:08:21 -231.022318 0.0202 BFGS: 9948 17:08:21 -231.023357 0.0207 BFGS: 9949 17:08:21 -231.023357 0.0207 BFGS: 9950 17:08:21 -231.023357 0.0207 BFGS: 9951 17:08:21 -231.022318 0.0202 BFGS: 9952 17:08:21 -231.023357 0.0207 BFGS: 9953 17:08:21 -231.022317 0.0202 BFGS: 9954 17:08:21 -231.022317 0.0202 BFGS: 9955 17:08:21 -231.022317 0.0202 BFGS: 9956 17:08:21 -231.023357 0.0207 BFGS: 9957 17:08:21 -231.023357 0.0207 BFGS: 9958 17:08:21 -231.023357 0.0207 BFGS: 9959 17:08:21 -231.023357 0.0207 BFGS: 9960 17:08:21 -231.022318 0.0202 BFGS: 9961 17:08:21 -231.023357 0.0207 BFGS: 9962 17:08:21 -231.023357 0.0207 BFGS: 9963 17:08:21 -231.023357 0.0207 BFGS: 9964 17:08:21 -231.022318 0.0202 BFGS: 9965 17:08:21 -231.022318 0.0202 BFGS: 9966 17:08:21 -231.023357 0.0207 BFGS: 9967 17:08:21 -231.023357 0.0207 BFGS: 9968 17:08:21 -231.023357 0.0207 BFGS: 9969 17:08:21 -231.023357 0.0207 BFGS: 9970 17:08:22 -231.023357 0.0207 BFGS: 9971 17:08:22 -231.022318 0.0202 BFGS: 9972 17:08:22 -231.023357 0.0207 BFGS: 9973 17:08:22 -231.023357 0.0207 BFGS: 9974 17:08:22 -231.023357 0.0207 BFGS: 9975 17:08:22 -231.023357 0.0207 BFGS: 9976 17:08:22 -231.023357 0.0207 BFGS: 9977 17:08:22 -231.023357 0.0207 BFGS: 9978 17:08:22 -231.023357 0.0207 BFGS: 9979 17:08:22 -231.023357 0.0207 BFGS: 9980 17:08:22 -231.023357 0.0207 BFGS: 9981 17:08:22 -231.022318 0.0202 BFGS: 9982 17:08:22 -231.022317 0.0202 BFGS: 9983 17:08:22 -231.023357 0.0207 BFGS: 9984 17:08:22 -231.023357 0.0207 BFGS: 9985 17:08:22 -231.023357 0.0207 BFGS: 9986 17:08:22 -231.023357 0.0207 BFGS: 9987 17:08:22 -231.023357 0.0207 BFGS: 9988 17:08:22 -231.023357 0.0207 BFGS: 9989 17:08:22 -231.023357 0.0207 BFGS: 9990 17:08:22 -231.023357 0.0207 BFGS: 9991 17:08:22 -231.023357 0.0207 BFGS: 9992 17:08:22 -231.022315 0.0265 BFGS: 9993 17:08:22 -231.023357 0.0207 BFGS: 9994 17:08:22 -231.023357 0.0207 BFGS: 9995 17:08:22 -231.023357 0.0207 BFGS: 9996 17:08:22 -231.022318 0.0202 BFGS: 9997 17:08:22 -231.023357 0.0207 BFGS: 9998 17:08:22 -231.023357 0.0207 BFGS: 9999 17:08:22 -231.023357 0.0207 BFGS: 10000 17:08:22 -231.023357 0.0207 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0013535200571364663 eV/Angstrom Maximum stress component: 0.0001287362273259544 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', 'O', 'O', 'O', 'O'] basis = [[0.5830348 0.25613712 0.37518428] [0.9169652 0.74386288 0.87518428] [0.4169652 0.75613712 0.12481572] [0.0830348 0.24386288 0.62481572] [0.4169652 0.74386288 0.62481572] [0.0830348 0.25613712 0.12481572] [0.5830348 0.24386288 0.87518428] [0.9169652 0.75613712 0.37518428] [0.58336185 0.75600749 0.37482444] [0.91663815 0.24399251 0.87482444] [0.41663815 0.25600749 0.12517556] [0.08336185 0.74399251 0.62517556] [0.41663815 0.24399251 0.62517556] [0.08336185 0.75600749 0.12517556] [0.58336185 0.74399251 0.87482444] [0.91663815 0.25600749 0.37482444] [0.7500695 0.49690407 0.62498304] [0.7499305 0.50309593 0.12498304] [0.2499305 0.99690407 0.87501696] [0.2500695 0.00309593 0.37501696] [0.2499305 0.50309593 0.37501696] [0.2500695 0.49690407 0.87501696] [0.7500695 0.00309593 0.12498304] [0.7499305 0.99690407 0.62498304]] cellpar = Cell([[26.878588452404458, -9.60723750778625e-36, 0.0], [-8.66491181133663e-35, 18.366160489468385, 0.0], [0.0, 0.0, 31.229251842720668]]) forces = [[ 9.02841798e-04 -1.02667853e-03 -3.02909079e-04] [-9.02841798e-04 1.02667853e-03 -3.02909079e-04] [-9.02841798e-04 -1.02667853e-03 3.02909079e-04] [ 9.02841798e-04 1.02667853e-03 3.02909079e-04] [-9.02841798e-04 1.02667853e-03 3.02909079e-04] [ 9.02841798e-04 -1.02667853e-03 3.02909079e-04] [ 9.02841798e-04 1.02667853e-03 -3.02909079e-04] [-9.02841798e-04 -1.02667853e-03 -3.02909079e-04] [ 1.94282195e-04 -8.74814216e-05 6.75140652e-06] [-1.94282195e-04 8.74814216e-05 6.75140652e-06] [-1.94282195e-04 -8.74814216e-05 -6.75140652e-06] [ 1.94282195e-04 8.74814216e-05 -6.75140652e-06] [-1.94282195e-04 8.74814216e-05 -6.75140652e-06] [ 1.94282195e-04 -8.74814216e-05 -6.75140652e-06] [ 1.94282195e-04 8.74814216e-05 6.75140652e-06] [-1.94282195e-04 -8.74814216e-05 6.75140652e-06] [-7.64739784e-05 1.35352006e-03 4.69190993e-04] [ 7.64739784e-05 -1.35352006e-03 4.69190993e-04] [ 7.64739784e-05 1.35352006e-03 -4.69190993e-04] [-7.64739784e-05 -1.35352006e-03 -4.69190993e-04] [ 7.64739784e-05 -1.35352006e-03 -4.69190993e-04] [-7.64739784e-05 1.35352006e-03 -4.69190993e-04] [-7.64739784e-05 -1.35352006e-03 4.69190993e-04] [ 7.64739784e-05 1.35352006e-03 4.69190993e-04]] stress = [1.02093230e-04 6.30872125e-05 1.28736227e-04 0.00000000e+00 0.00000000e+00 1.67561992e-27] energy per atom = -9.62597321248947 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oP24_61_3c, while relaxed is A_mP12_14_3e. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.