element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', '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: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= Step Time Energy fmax BFGS: 0 17:22:37 -2510.345248 37.7367 BFGS: 1 17:22:37 -2485.380289 47.4634 BFGS: 2 17:22:37 -2651.208949 32.1943 BFGS: 3 17:22:37 -2770.076345 18.9997 BFGS: 4 17:22:37 -2757.399008 24.3723 BFGS: 5 17:22:38 -2740.719149 30.8941 BFGS: 6 17:22:38 -2790.674234 11.4297 BFGS: 7 17:22:38 -2794.603331 10.0613 BFGS: 8 17:22:38 -2814.953108 5.4841 BFGS: 9 17:22:38 -2817.264399 1.2460 BFGS: 10 17:22:39 -2818.130081 0.8462 BFGS: 11 17:22:39 -2820.827076 3.9072 BFGS: 12 17:22:39 -2824.216848 7.0336 BFGS: 13 17:22:39 -2830.928464 7.9559 BFGS: 14 17:22:40 -2837.006044 8.7183 BFGS: 15 17:22:40 -2842.792260 6.8294 BFGS: 16 17:22:40 -2844.143017 6.7290 BFGS: 17 17:22:40 -2847.090468 6.6059 BFGS: 18 17:22:40 -2850.815479 6.5720 BFGS: 19 17:22:41 -2854.268048 6.6524 BFGS: 20 17:22:41 -2857.671149 6.6384 BFGS: 21 17:22:41 -2861.079829 6.6016 BFGS: 22 17:22:41 -2864.478804 6.5951 BFGS: 23 17:22:41 -2867.494872 6.6833 BFGS: 24 17:22:42 -2871.387935 6.5051 BFGS: 25 17:22:42 -2875.299440 6.3850 BFGS: 26 17:22:43 -2879.484979 6.2557 BFGS: 27 17:22:43 -2883.538492 6.3782 BFGS: 28 17:22:43 -2887.017796 6.6324 BFGS: 29 17:22:43 -2890.954269 6.6891 BFGS: 30 17:22:43 -2894.623454 6.8183 BFGS: 31 17:22:44 -2898.371024 6.9113 BFGS: 32 17:22:44 -2902.071500 7.0038 BFGS: 33 17:22:44 -2905.721818 7.0842 BFGS: 34 17:22:44 -2909.254438 7.1674 BFGS: 35 17:22:44 -2912.672238 7.2369 BFGS: 36 17:22:45 -2915.902467 7.3041 BFGS: 37 17:22:45 -2918.914830 7.3612 BFGS: 38 17:22:45 -2921.669213 7.4116 BFGS: 39 17:22:45 -2924.175911 7.7469 BFGS: 40 17:22:46 -2926.475084 8.0936 BFGS: 41 17:22:46 -2928.616980 8.4139 BFGS: 42 17:22:46 -2930.564417 8.6946 BFGS: 43 17:22:46 -2932.418482 8.9384 BFGS: 44 17:22:46 -2934.152935 9.1408 BFGS: 45 17:22:47 -2935.817003 9.3164 BFGS: 46 17:22:47 -2937.411034 9.4644 BFGS: 47 17:22:47 -2938.940299 9.5962 BFGS: 48 17:22:47 -2940.447673 9.7138 BFGS: 49 17:22:47 -2941.926987 9.8171 BFGS: 50 17:22:48 -2943.390586 9.9129 BFGS: 51 17:22:48 -2944.834962 10.0014 BFGS: 52 17:22:48 -2946.264363 10.0857 BFGS: 53 17:22:49 -2947.676714 10.1663 BFGS: 54 17:22:49 -2949.073232 10.2446 BFGS: 55 17:22:49 -2950.454973 10.3208 BFGS: 56 17:22:49 -2951.572208 10.3933 BFGS: 57 17:22:49 -2952.910005 10.4288 BFGS: 58 17:22:50 -2954.134143 10.4855 BFGS: 59 17:22:50 -2956.191316 10.5433 BFGS: 60 17:22:50 -2958.278719 10.6248 BFGS: 61 17:22:50 -2967.272770 10.8903 BFGS: 62 17:22:50 -2971.505676 11.0270 BFGS: 63 17:22:51 -2981.249738 11.3059 BFGS: 64 17:22:51 -2991.331516 11.5586 BFGS: 65 17:22:51 -3001.718089 11.7927 BFGS: 66 17:22:51 -3012.395208 12.0154 BFGS: 67 17:22:52 -3023.392254 12.2296 BFGS: 68 17:22:52 -3034.739779 12.4504 BFGS: 69 17:22:52 -3046.460147 12.6919 BFGS: 70 17:22:52 -3058.545614 12.9697 BFGS: 71 17:22:52 -3070.856808 13.2971 BFGS: 72 17:22:53 -3083.312408 13.6813 BFGS: 73 17:22:53 -3095.972217 14.1353 BFGS: 74 17:22:53 -3108.753990 14.6586 BFGS: 75 17:22:53 -3121.615966 15.2500 BFGS: 76 17:22:54 -3128.024748 15.5766 BFGS: 77 17:22:54 -3131.702856 15.7751 BFGS: 78 17:22:54 -3142.839327 16.3922 BFGS: 79 17:22:55 -3145.140500 16.5185 BFGS: 80 17:22:55 -3147.660100 16.6475 BFGS: 81 17:22:55 -3149.768915 16.7534 BFGS: 82 17:22:56 -3151.366803 16.8357 BFGS: 83 17:22:56 -3152.597149 16.8935 BFGS: 84 17:22:57 -3153.731243 16.9415 BFGS: 85 17:22:57 -3154.669064 16.9788 BFGS: 86 17:22:58 -3155.631820 17.0168 BFGS: 87 17:22:59 -3156.486050 17.0413 BFGS: 88 17:23:00 -3157.439852 17.0716 BFGS: 89 17:23:00 -3158.405627 17.1029 BFGS: 90 17:23:01 -3159.375931 17.1349 BFGS: 91 17:23:02 -3160.360891 17.1679 BFGS: 92 17:23:02 -3161.366136 17.2021 BFGS: 93 17:23:03 -3162.398127 17.2378 BFGS: 94 17:23:03 -3163.463190 17.2753 BFGS: 95 17:23:04 -3164.472972 17.3097 BFGS: 96 17:23:04 -3165.659000 17.3544 BFGS: 97 17:23:05 -3166.849013 17.3983 BFGS: 98 17:23:05 -3168.133413 17.4471 BFGS: 99 17:23:05 -3169.479464 17.4987 BFGS: 100 17:23:06 -3170.910319 17.5547 BFGS: 101 17:23:07 -3172.424819 17.6148 BFGS: 102 17:23:07 -3174.033593 17.6798 BFGS: 103 17:23:07 -3175.743604 17.7500 BFGS: 104 17:23:08 -3177.565454 17.8259 BFGS: 105 17:23:09 -3179.511024 17.9084 BFGS: 106 17:23:09 -3181.595563 17.9981 BFGS: 107 17:23:10 -3183.838386 18.1025 BFGS: 108 17:23:10 -3186.266458 18.6945 BFGS: 109 17:23:11 -3188.156233 19.1746 BFGS: 110 17:23:12 -3190.164689 19.6951 BFGS: 111 17:23:12 -3192.261105 20.2503 BFGS: 112 17:23:13 -3194.435431 20.8385 BFGS: 113 17:23:13 -3196.688526 21.4612 BFGS: 114 17:23:14 -3199.026440 22.1217 BFGS: 115 17:23:15 -3201.458975 22.8243 BFGS: 116 17:23:16 -3203.999928 23.5753 BFGS: 117 17:23:17 -3206.672557 24.3812 BFGS: 118 17:23:18 -3209.800309 25.3971 BFGS: 119 17:23:18 -3212.912746 26.3990 BFGS: 120 17:23:19 -3216.229196 27.5059 BFGS: 121 17:23:19 -3219.682086 28.7038 BFGS: 122 17:23:20 -3223.771550 30.1628 BFGS: 123 17:23:21 -3229.265628 32.2260 BFGS: 124 17:23:21 -3240.918436 37.0638 BFGS: 125 17:23:22 -3249.271841 40.9932 BFGS: 126 17:23:23 -3253.984787 43.2767 BFGS: 127 17:23:23 -3262.627331 44.2700 BFGS: 128 17:23:24 -3268.881439 45.6611 BFGS: 129 17:23:25 -3280.026066 48.1140 BFGS: 130 17:23:26 -3290.174642 49.5785 BFGS: 131 17:23:27 -3307.463559 50.6463 BFGS: 132 17:23:27 -3333.088075 51.0250 BFGS: 133 17:23:28 -3374.455984 49.8282 BFGS: 134 17:23:28 -3446.155726 46.3769 BFGS: 135 17:23:29 -3559.583209 40.2611 BFGS: 136 17:23:30 -3705.725898 32.8817 BFGS: 137 17:23:30 -3867.364355 26.2720 BFGS: 138 17:23:31 -4028.833145 26.3104 BFGS: 139 17:23:32 -4111.352019 26.5415 BFGS: 140 17:23:32 -4195.526490 26.7528 BFGS: 141 17:23:33 -4347.446694 26.4870 BFGS: 142 17:23:33 -4486.957811 25.3080 BFGS: 143 17:23:34 -4618.228471 23.9427 BFGS: 144 17:23:35 -4653.091549 23.0723 BFGS: 145 17:23:35 -4700.588324 23.2546 BFGS: 146 17:23:36 -4723.053382 22.9158 BFGS: 147 17:23:37 -4742.182055 22.7302 BFGS: 148 17:23:37 -4759.577736 22.5820 BFGS: 149 17:23:38 -4776.204069 22.4624 BFGS: 150 17:23:38 -4792.470361 22.3592 BFGS: 151 17:23:39 -4809.508580 22.2205 BFGS: 152 17:23:40 -4837.658539 21.9548 BFGS: 153 17:23:40 -4880.749635 21.6844 BFGS: 154 17:23:41 -4939.488049 21.4421 BFGS: 155 17:23:42 -5018.398182 20.7862 BFGS: 156 17:23:42 -5109.702417 19.8506 BFGS: 157 17:23:43 -5175.130829 16.4056 BFGS: 158 17:23:43 -5216.024270 13.6767 BFGS: 159 17:23:44 -5244.319628 11.2065 BFGS: 160 17:23:44 -5265.677542 8.8805 BFGS: 161 17:23:45 -5281.749611 7.0110 BFGS: 162 17:23:46 -5292.279314 5.5167 BFGS: 163 17:23:46 -5296.495976 5.5821 BFGS: 164 17:23:47 -5297.810648 4.9532 BFGS: 165 17:23:48 -5301.983780 1.4406 BFGS: 166 17:23:48 -5302.046830 0.9882 BFGS: 167 17:23:49 -5302.074756 1.3009 BFGS: 168 17:23:50 -5302.121496 1.1702 BFGS: 169 17:23:50 -5302.709400 1.5156 BFGS: 170 17:23:51 -5303.331828 2.5721 BFGS: 171 17:23:51 -5303.914001 3.8010 BFGS: 172 17:23:51 -5299.676689 9.7496 BFGS: 173 17:23:52 -5305.482840 3.3546 BFGS: 174 17:23:53 -5307.431225 2.9689 BFGS: 175 17:23:53 -5309.343704 3.6940 BFGS: 176 17:23:53 -5311.091742 4.8948 BFGS: 177 17:23:54 -5316.912320 4.1203 BFGS: 178 17:23:54 -5322.216849 3.8061 BFGS: 179 17:23:54 -5327.388329 4.6070 BFGS: 180 17:23:55 -5334.799961 7.5623 BFGS: 181 17:23:55 -5344.901593 8.4637 BFGS: 182 17:23:56 -5356.296844 8.6335 BFGS: 183 17:23:56 -5369.558538 8.7828 BFGS: 184 17:23:57 -5384.515739 9.0066 BFGS: 185 17:23:57 -5400.882878 9.1309 BFGS: 186 17:23:58 -5418.049777 9.1585 BFGS: 187 17:23:59 -5434.766395 8.9195 BFGS: 188 17:23:59 -5449.420791 8.1541 BFGS: 189 17:24:00 -5461.068304 6.7554 BFGS: 190 17:24:00 -5469.095286 4.7714 BFGS: 191 17:24:01 -5473.430384 4.4821 BFGS: 192 17:24:01 -5474.489828 5.7042 BFGS: 193 17:24:03 -5474.865221 5.9174 BFGS: 194 17:24:04 -5479.949755 8.9496 BFGS: 195 17:24:04 -5486.005878 12.3148 BFGS: 196 17:24:05 -5488.255889 28.4689 BFGS: 197 17:24:06 -5500.424033 21.8096 BFGS: 198 17:24:07 -5514.076596 18.9030 BFGS: 199 17:24:08 -5529.052548 17.8929 BFGS: 200 17:24:09 -5544.959467 16.7815 BFGS: 201 17:24:10 -5561.284530 15.9610 BFGS: 202 17:24:11 -5577.886151 15.1858 BFGS: 203 17:24:11 -5594.635541 14.5012 BFGS: 204 17:24:12 -5611.432979 13.8289 BFGS: 205 17:24:13 -5628.161209 13.1594 BFGS: 206 17:24:13 -5644.693928 12.4721 BFGS: 207 17:24:14 -5660.893109 11.8189 BFGS: 208 17:24:15 -5676.631170 11.3539 BFGS: 209 17:24:16 -5691.706018 11.3379 BFGS: 210 17:24:16 -5705.970974 12.1219 BFGS: 211 17:24:17 -5719.261348 13.7953 BFGS: 212 17:24:18 -5731.432220 16.0227 BFGS: 213 17:24:19 -5742.423306 18.0321 BFGS: 214 17:24:19 -5752.264829 18.6264 BFGS: 215 17:24:20 -5760.809256 15.7688 BFGS: 216 17:24:21 -5765.368660 9.2915 BFGS: 217 17:24:21 -5767.193424 3.9276 BFGS: 218 17:24:22 -5767.971453 0.4653 BFGS: 219 17:24:22 -5768.070927 0.2045 BFGS: 220 17:24:22 -5768.075120 0.1004 BFGS: 221 17:24:23 -5768.075282 0.1011 BFGS: 222 17:24:23 -5768.075387 0.1021 BFGS: 223 17:24:24 -5768.075418 0.1023 BFGS: 224 17:24:25 -5768.075649 0.1041 BFGS: 225 17:24:25 -5768.076147 0.1069 BFGS: 226 17:24:26 -5768.077547 0.1158 BFGS: 227 17:24:27 -5768.081120 0.2072 BFGS: 228 17:24:27 -5768.090193 0.3498 BFGS: 229 17:24:28 -5768.100321 0.4377 BFGS: 230 17:24:28 -5768.111669 0.4990 BFGS: 231 17:24:29 -5768.123916 0.5457 BFGS: 232 17:24:30 -5768.136814 0.5835 BFGS: 233 17:24:30 -5768.150196 0.6156 BFGS: 234 17:24:31 -5768.163949 0.6435 BFGS: 235 17:24:32 -5768.177992 0.6685 BFGS: 236 17:24:32 -5768.192266 0.6913 BFGS: 237 17:24:33 -5768.206724 0.7124 BFGS: 238 17:24:33 -5768.221929 0.7323 BFGS: 239 17:24:34 -5768.238783 0.7509 BFGS: 240 17:24:34 -5768.255615 0.7673 BFGS: 241 17:24:35 -5768.272471 0.7831 BFGS: 242 17:24:35 -5768.289271 0.7996 BFGS: 243 17:24:36 -5768.305241 0.8236 BFGS: 244 17:24:36 -5768.324766 0.8171 BFGS: 245 17:24:37 -5768.343360 0.8186 BFGS: 246 17:24:37 -5768.361898 0.8207 BFGS: 247 17:24:38 -5768.380513 0.8216 BFGS: 248 17:24:38 -5768.399270 0.8139 BFGS: 249 17:24:39 -5768.418134 0.8325 BFGS: 250 17:24:40 -5768.437229 0.8388 BFGS: 251 17:24:40 -5768.456403 0.8439 BFGS: 252 17:24:41 -5768.475489 0.8499 BFGS: 253 17:24:42 -5768.492624 0.8701 BFGS: 254 17:24:42 -5768.514120 0.8600 BFGS: 255 17:24:43 -5768.535025 0.8533 BFGS: 256 17:24:44 -5768.555907 0.8468 BFGS: 257 17:24:44 -5768.576822 0.8402 BFGS: 258 17:24:45 -5768.597818 0.8325 BFGS: 259 17:24:46 -5768.618950 0.8229 BFGS: 260 17:24:46 -5768.640282 0.8080 BFGS: 261 17:24:47 -5768.661138 0.7696 BFGS: 262 17:24:48 -5768.682698 0.8108 BFGS: 263 17:24:49 -5768.706326 0.7873 BFGS: 264 17:24:49 -5768.731423 0.7591 BFGS: 265 17:24:50 -5768.757818 0.7228 BFGS: 266 17:24:51 -5768.783747 0.6903 BFGS: 267 17:24:51 -5768.809368 0.6604 BFGS: 268 17:24:52 -5768.834724 0.6322 BFGS: 269 17:24:53 -5768.859849 0.6055 BFGS: 270 17:24:54 -5768.884774 0.5801 BFGS: 271 17:24:54 -5768.909533 0.5558 BFGS: 272 17:24:55 -5768.934152 0.5324 BFGS: 273 17:24:55 -5768.958655 0.5118 BFGS: 274 17:24:56 -5768.983065 0.4932 BFGS: 275 17:24:56 -5769.007399 0.4751 BFGS: 276 17:24:57 -5769.031673 0.4575 BFGS: 277 17:24:57 -5769.055899 0.4403 BFGS: 278 17:24:58 -5769.080090 0.4234 BFGS: 279 17:24:58 -5769.104255 0.4067 BFGS: 280 17:24:59 -5769.128404 0.3901 BFGS: 281 17:24:59 -5769.152547 0.3736 BFGS: 282 17:25:00 -5769.176671 0.3573 BFGS: 283 17:25:01 -5769.200773 0.3414 BFGS: 284 17:25:02 -5769.224854 0.3258 BFGS: 285 17:25:03 -5769.248918 0.3106 BFGS: 286 17:25:04 -5769.272969 0.2958 BFGS: 287 17:25:04 -5769.297011 0.2814 BFGS: 288 17:25:05 -5769.321049 0.2675 BFGS: 289 17:25:06 -5769.345090 0.2541 BFGS: 290 17:25:06 -5769.369138 0.2501 BFGS: 291 17:25:07 -5769.393198 0.2504 BFGS: 292 17:25:07 -5769.417277 0.2508 BFGS: 293 17:25:08 -5769.441381 0.2511 BFGS: 294 17:25:08 -5769.465513 0.2514 BFGS: 295 17:25:09 -5769.489680 0.2518 BFGS: 296 17:25:10 -5769.513886 0.2521 BFGS: 297 17:25:10 -5769.538136 0.2524 BFGS: 298 17:25:11 -5769.562434 0.2527 BFGS: 299 17:25:11 -5769.586786 0.2530 BFGS: 300 17:25:12 -5769.611193 0.2533 BFGS: 301 17:25:13 -5769.635660 0.2536 BFGS: 302 17:25:13 -5769.660190 0.2539 BFGS: 303 17:25:14 -5769.684787 0.2542 BFGS: 304 17:25:14 -5769.709452 0.2545 BFGS: 305 17:25:15 -5769.734189 0.2548 BFGS: 306 17:25:15 -5769.758999 0.2551 BFGS: 307 17:25:16 -5769.783885 0.2554 BFGS: 308 17:25:16 -5769.808848 0.2557 BFGS: 309 17:25:16 -5769.833890 0.2559 BFGS: 310 17:25:17 -5769.859014 0.2562 BFGS: 311 17:25:18 -5769.884219 0.2565 BFGS: 312 17:25:19 -5769.909507 0.2568 BFGS: 313 17:25:19 -5769.934880 0.2570 BFGS: 314 17:25:20 -5769.960337 0.2573 BFGS: 315 17:25:21 -5769.985881 0.2576 BFGS: 316 17:25:21 -5770.011512 0.2578 BFGS: 317 17:25:22 -5770.037231 0.2581 BFGS: 318 17:25:23 -5770.063038 0.2584 BFGS: 319 17:25:23 -5770.088934 0.2586 BFGS: 320 17:25:24 -5770.114919 0.2589 BFGS: 321 17:25:25 -5770.140993 0.2591 BFGS: 322 17:25:25 -5770.167159 0.2594 BFGS: 323 17:25:26 -5770.193414 0.2597 BFGS: 324 17:25:26 -5770.219761 0.2599 BFGS: 325 17:25:27 -5770.246199 0.2602 BFGS: 326 17:25:27 -5770.272729 0.2604 BFGS: 327 17:25:28 -5770.299350 0.2607 BFGS: 328 17:25:29 -5770.326064 0.2610 BFGS: 329 17:25:29 -5770.352870 0.2612 BFGS: 330 17:25:30 -5770.379769 0.2615 BFGS: 331 17:25:30 -5770.406761 0.2618 BFGS: 332 17:25:31 -5770.433846 0.2620 BFGS: 333 17:25:31 -5770.461024 0.2623 BFGS: 334 17:25:32 -5770.488295 0.2626 BFGS: 335 17:25:33 -5770.515661 0.2628 BFGS: 336 17:25:33 -5770.543120 0.2631 BFGS: 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0.2709 BFGS: 363 17:25:46 -5771.320903 0.2713 BFGS: 364 17:25:47 -5771.351093 0.2716 BFGS: 365 17:25:47 -5771.381384 0.2719 BFGS: 366 17:25:48 -5771.411778 0.2723 BFGS: 367 17:25:49 -5771.442274 0.2726 BFGS: 368 17:25:49 -5771.472873 0.2730 BFGS: 369 17:25:49 -5771.503574 0.2733 BFGS: 370 17:25:50 -5771.534379 0.2737 BFGS: 371 17:25:50 -5771.565288 0.2741 BFGS: 372 17:25:50 -5771.596301 0.2744 BFGS: 373 17:25:51 -5771.627419 0.2748 BFGS: 374 17:25:51 -5771.658641 0.2752 BFGS: 375 17:25:52 -5771.689968 0.2755 BFGS: 376 17:25:52 -5771.721401 0.2759 BFGS: 377 17:25:53 -5771.752940 0.2763 BFGS: 378 17:25:53 -5771.784586 0.2767 BFGS: 379 17:25:54 -5771.816338 0.2771 BFGS: 380 17:25:54 -5771.848197 0.2775 BFGS: 381 17:25:55 -5771.880164 0.2779 BFGS: 382 17:25:56 -5771.912238 0.2782 BFGS: 383 17:25:56 -5771.944421 0.2786 BFGS: 384 17:25:57 -5771.976713 0.2791 BFGS: 385 17:25:57 -5772.009113 0.2795 BFGS: 386 17:25:58 -5772.041623 0.2799 BFGS: 387 17:25:59 -5772.074243 0.2803 BFGS: 388 17:26:00 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BFGS: 1400 17:31:19 -6446.103063 8.2826 BFGS: 1401 17:31:19 -6447.852255 8.2689 BFGS: 1402 17:31:20 -6449.602285 8.2554 BFGS: 1403 17:31:20 -6451.353208 8.2419 BFGS: 1404 17:31:20 -6453.105082 8.2286 BFGS: 1405 17:31:20 -6454.857982 8.2220 BFGS: 1406 17:31:21 -6456.615116 8.2094 BFGS: 1407 17:31:21 -6458.372326 8.1965 BFGS: 1408 17:31:21 -6460.130549 8.1837 BFGS: 1409 17:31:21 -6461.890319 8.1777 BFGS: 1410 17:31:22 -6463.651544 8.1659 BFGS: 1411 17:31:22 -6465.414729 8.1605 BFGS: 1412 17:31:22 -6467.180588 8.1560 BFGS: 1413 17:31:22 -6468.951312 8.1458 BFGS: 1414 17:31:23 -6470.721459 8.1348 BFGS: 1415 17:31:23 -6472.492377 8.1234 BFGS: 1416 17:31:23 -6474.264566 8.1120 BFGS: 1417 17:31:23 -6476.038270 8.1006 BFGS: 1418 17:31:24 -6477.813616 8.0893 BFGS: 1419 17:31:24 -6479.590690 8.0782 BFGS: 1420 17:31:24 -6481.370915 8.0739 BFGS: 1421 17:31:25 -6483.156343 8.0644 BFGS: 1422 17:31:25 -6484.942069 8.0544 BFGS: 1423 17:31:25 -6486.729227 8.0444 BFGS: 1424 17:31:25 -6488.518140 8.0344 BFGS: 1425 17:31:26 -6490.309006 8.0246 BFGS: 1426 17:31:26 -6492.101933 8.0149 BFGS: 1427 17:31:26 -6493.897002 8.0054 BFGS: 1428 17:31:26 -6495.694283 7.9961 BFGS: 1429 17:31:27 -6497.493841 7.9870 BFGS: 1430 17:31:27 -6499.295740 7.9781 BFGS: 1431 17:31:28 -6501.100042 7.9695 BFGS: 1432 17:31:28 -6502.906810 7.9610 BFGS: 1433 17:31:28 -6504.716108 7.9527 BFGS: 1434 17:31:28 -6506.529266 7.9514 BFGS: 1435 17:31:28 -6508.349803 7.9449 BFGS: 1436 17:31:29 -6510.171888 7.9384 BFGS: 1437 17:31:29 -6511.995884 7.9316 BFGS: 1438 17:31:29 -6513.822406 7.9250 BFGS: 1439 17:31:30 -6515.651634 7.9185 BFGS: 1440 17:31:30 -6517.484873 7.9189 BFGS: 1441 17:31:30 -6519.325937 7.9210 BFGS: 1442 17:31:30 -6521.172150 7.9168 BFGS: 1443 17:31:31 -6523.018947 7.9119 BFGS: 1444 17:31:31 -6524.868036 7.9071 BFGS: 1445 17:31:31 -6526.719959 7.9024 BFGS: 1446 17:31:31 -6528.575031 7.8979 BFGS: 1447 17:31:32 -6530.433406 7.8936 BFGS: 1448 17:31:32 -6532.295200 7.8896 BFGS: 1449 17:31:32 -6534.160506 7.8858 BFGS: 1450 17:31:33 -6536.029409 7.8823 BFGS: 1451 17:31:33 -6537.901992 7.8791 BFGS: 1452 17:31:33 -6539.778338 7.8762 BFGS: 1453 17:31:33 -6541.658527 7.8736 BFGS: 1454 17:31:34 -6543.542643 7.8713 BFGS: 1455 17:31:34 -6545.430766 7.8693 BFGS: 1456 17:31:34 -6547.322979 7.8675 BFGS: 1457 17:31:34 -6549.219366 7.8661 BFGS: 1458 17:31:35 -6551.120010 7.8650 BFGS: 1459 17:31:35 -6553.025034 7.8609 BFGS: 1460 17:31:35 -6554.936024 7.8611 BFGS: 1461 17:31:36 -6556.851084 7.8614 BFGS: 1462 17:31:36 -6558.770571 7.8619 BFGS: 1463 17:31:36 -6560.694625 7.8626 BFGS: 1464 17:31:36 -6562.623381 7.8637 BFGS: 1465 17:31:37 -6564.556944 7.8651 BFGS: 1466 17:31:37 -6566.495412 7.8669 BFGS: 1467 17:31:37 -6568.438881 7.8690 BFGS: 1468 17:31:38 -6570.387446 7.8715 BFGS: 1469 17:31:38 -6572.341202 7.8743 BFGS: 1470 17:31:38 -6574.300243 7.8775 BFGS: 1471 17:31:39 -6576.264666 7.8811 BFGS: 1472 17:31:39 -6578.234565 7.8851 BFGS: 1473 17:31:39 -6580.210038 7.8894 BFGS: 1474 17:31:39 -6582.191182 7.8942 BFGS: 1475 17:31:40 -6584.178097 7.8993 BFGS: 1476 17:31:40 -6586.170881 7.9049 BFGS: 1477 17:31:40 -6588.169633 7.9109 BFGS: 1478 17:31:40 -6590.175310 7.9240 BFGS: 1479 17:31:41 -6592.188983 7.9324 BFGS: 1480 17:31:41 -6594.208561 7.9404 BFGS: 1481 17:31:41 -6596.234321 7.9486 BFGS: 1482 17:31:41 -6598.266529 7.9638 BFGS: 1483 17:31:42 -6600.305865 7.9727 BFGS: 1484 17:31:42 -6602.352265 7.9819 BFGS: 1485 17:31:42 -6604.406406 7.9984 BFGS: 1486 17:31:43 -6606.469701 8.0094 BFGS: 1487 17:31:43 -6608.539561 8.0205 BFGS: 1488 17:31:43 -6610.616311 8.0319 BFGS: 1489 17:31:43 -6612.700103 8.0436 BFGS: 1490 17:31:44 -6614.791121 8.0558 BFGS: 1491 17:31:44 -6616.889503 8.0683 BFGS: 1492 17:31:44 -6618.995391 8.0814 BFGS: 1493 17:31:45 -6621.108912 8.0949 BFGS: 1494 17:31:45 -6623.230197 8.1089 BFGS: 1495 17:31:45 -6625.359372 8.1234 BFGS: 1496 17:31:45 -6627.496564 8.1384 BFGS: 1497 17:31:46 -6629.641899 8.1539 BFGS: 1498 17:31:46 -6631.795506 8.1699 BFGS: 1499 17:31:46 -6633.958047 8.1898 BFGS: 1500 17:31:47 -6636.131928 8.2077 BFGS: 1501 17:31:47 -6638.313829 8.2258 BFGS: 1502 17:31:47 -6640.505083 8.2511 BFGS: 1503 17:31:48 -6642.707708 8.2779 BFGS: 1504 17:31:48 -6644.920161 8.2982 BFGS: 1505 17:31:48 -6647.141324 8.3186 BFGS: 1506 17:31:49 -6649.373391 8.3532 BFGS: 1507 17:31:49 -6651.616404 8.3749 BFGS: 1508 17:31:49 -6653.868390 8.3970 BFGS: 1509 17:31:49 -6656.129771 8.4196 BFGS: 1510 17:31:50 -6658.400842 8.4427 BFGS: 1511 17:31:50 -6660.681798 8.4664 BFGS: 1512 17:31:50 -6662.972820 8.4906 BFGS: 1513 17:31:50 -6665.274067 8.5154 BFGS: 1514 17:31:51 -6667.585698 8.5407 BFGS: 1515 17:31:51 -6669.907870 8.5667 BFGS: 1516 17:31:51 -6672.240739 8.5933 BFGS: 1517 17:31:52 -6674.586196 8.6273 BFGS: 1518 17:31:52 -6676.948005 8.6632 BFGS: 1519 17:31:52 -6679.323009 8.6936 BFGS: 1520 17:31:52 -6681.707244 8.7239 BFGS: 1521 17:31:53 -6684.102662 8.7614 BFGS: 1522 17:31:53 -6686.509781 8.7922 BFGS: 1523 17:31:53 -6688.928640 8.8236 BFGS: 1524 17:31:54 -6691.359482 8.8557 BFGS: 1525 17:31:54 -6693.802371 8.8884 BFGS: 1526 17:31:54 -6696.257509 8.9218 BFGS: 1527 17:31:54 -6698.725035 8.9558 BFGS: 1528 17:31:55 -6701.205134 8.9905 BFGS: 1529 17:31:55 -6703.697969 9.0259 BFGS: 1530 17:31:55 -6706.203719 9.0620 BFGS: 1531 17:31:55 -6708.722557 9.0987 BFGS: 1532 17:31:56 -6711.254660 9.1362 BFGS: 1533 17:31:56 -6713.800206 9.1743 BFGS: 1534 17:31:56 -6716.359374 9.2131 BFGS: 1535 17:31:56 -6718.932343 9.2527 BFGS: 1536 17:31:57 -6721.519786 9.2998 BFGS: 1537 17:31:57 -6724.123916 9.3408 BFGS: 1538 17:31:57 -6726.741519 9.3828 BFGS: 1539 17:31:57 -6729.373635 9.4254 BFGS: 1540 17:31:58 -6732.020842 9.4757 BFGS: 1541 17:31:58 -6734.684858 9.5205 BFGS: 1542 17:31:58 -6737.363304 9.5658 BFGS: 1543 17:31:59 -6740.056803 9.6116 BFGS: 1544 17:31:59 -6742.765539 9.6581 BFGS: 1545 17:31:59 -6745.489853 9.7053 BFGS: 1546 17:31:59 -6748.229927 9.7533 BFGS: 1547 17:32:00 -6750.986005 9.8020 BFGS: 1548 17:32:00 -6753.758277 9.8516 BFGS: 1549 17:32:00 -6756.546954 9.9019 BFGS: 1550 17:32:00 -6759.352230 9.9529 BFGS: 1551 17:32:01 -6762.175154 10.0118 BFGS: 1552 17:32:01 -6765.018060 10.0655 BFGS: 1553 17:32:01 -6767.878216 10.1231 BFGS: 1554 17:32:02 -6770.757058 10.1784 BFGS: 1555 17:32:02 -6773.652795 10.2695 BFGS: 1556 17:32:02 -6776.566050 10.3611 BFGS: 1557 17:32:03 -6779.498669 10.4528 BFGS: 1558 17:32:03 -6782.452397 10.5464 BFGS: 1559 17:32:03 -6785.423236 10.6389 BFGS: 1560 17:32:03 -6788.412804 10.7309 BFGS: 1561 17:32:04 -6791.424831 10.8224 BFGS: 1562 17:32:04 -6794.454926 10.9135 BFGS: 1563 17:32:04 -6797.503497 11.0050 BFGS: 1564 17:32:04 -6800.571209 11.0962 BFGS: 1565 17:32:05 -6803.658267 11.1875 BFGS: 1566 17:32:05 -6806.765038 11.2787 BFGS: 1567 17:32:05 -6809.892185 11.3697 BFGS: 1568 17:32:05 -6813.040273 11.4614 BFGS: 1569 17:32:06 -6816.209290 11.5525 BFGS: 1570 17:32:06 -6819.399025 11.6434 BFGS: 1571 17:32:06 -6822.609637 11.7341 BFGS: 1572 17:32:07 -6825.841273 11.8245 BFGS: 1573 17:32:07 -6829.094149 11.9148 BFGS: 1574 17:32:07 -6832.368452 12.0050 BFGS: 1575 17:32:08 -6835.664395 12.0949 BFGS: 1576 17:32:08 -6838.982172 12.1846 BFGS: 1577 17:32:08 -6842.321988 12.2741 BFGS: 1578 17:32:08 -6845.684040 12.3635 BFGS: 1579 17:32:09 -6849.068528 12.4526 BFGS: 1580 17:32:09 -6852.475647 12.5415 BFGS: 1581 17:32:09 -6855.905591 12.6301 BFGS: 1582 17:32:10 -6859.358553 12.7185 BFGS: 1583 17:32:10 -6862.834723 12.8067 BFGS: 1584 17:32:10 -6866.334289 12.8947 BFGS: 1585 17:32:10 -6869.857434 12.9823 BFGS: 1586 17:32:11 -6873.405680 13.0697 BFGS: 1587 17:32:11 -6876.979049 13.1547 BFGS: 1588 17:32:11 -6880.576311 13.2405 BFGS: 1589 17:32:12 -6884.198107 13.3267 BFGS: 1590 17:32:12 -6887.844119 13.4139 BFGS: 1591 17:32:12 -6891.515121 13.4997 BFGS: 1592 17:32:13 -6895.211407 13.5857 BFGS: 1593 17:32:13 -6898.934697 13.6699 BFGS: 1594 17:32:13 -6902.682596 13.7532 BFGS: 1595 17:32:13 -6906.457481 13.8408 BFGS: 1596 17:32:14 -6910.259393 13.9188 BFGS: 1597 17:32:14 -6914.090368 14.0053 BFGS: 1598 17:32:14 -6917.946469 14.0906 BFGS: 1599 17:32:14 -6921.828605 14.1744 BFGS: 1600 17:32:15 -6925.736579 14.2552 BFGS: 1601 17:32:15 -6929.669740 14.3375 BFGS: 1602 17:32:15 -6933.629192 14.4190 BFGS: 1603 17:32:15 -6937.614693 14.5007 BFGS: 1604 17:32:16 -6941.630269 14.5828 BFGS: 1605 17:32:16 -6945.671234 14.6640 BFGS: 1606 17:32:16 -6949.738209 14.7444 BFGS: 1607 17:32:17 -6953.831230 14.8242 BFGS: 1608 17:32:17 -6957.951329 14.9034 BFGS: 1609 17:32:17 -6962.098560 14.9843 BFGS: 1610 17:32:17 -6966.272366 15.0628 BFGS: 1611 17:32:18 -6970.473644 15.1406 BFGS: 1612 17:32:18 -6974.703197 15.2186 BFGS: 1613 17:32:18 -6978.959216 15.2949 BFGS: 1614 17:32:19 -6983.241051 15.3710 BFGS: 1615 17:32:19 -6987.549272 15.4461 BFGS: 1616 17:32:19 -6991.883461 15.5208 BFGS: 1617 17:32:20 -6996.243790 15.5946 BFGS: 1618 17:32:20 -7000.629991 15.6679 BFGS: 1619 17:32:20 -7005.042355 15.7404 BFGS: 1620 17:32:20 -7009.483767 15.8116 BFGS: 1621 17:32:21 -7013.953872 15.8913 BFGS: 1622 17:32:21 -7018.450652 15.9581 BFGS: 1623 17:32:21 -7022.971169 16.0603 BFGS: 1624 17:32:22 -7027.517014 16.1713 BFGS: 1625 17:32:22 -7032.089170 16.2753 BFGS: 1626 17:32:22 -7036.685181 16.3791 BFGS: 1627 17:32:22 -7041.305000 16.4825 BFGS: 1628 17:32:23 -7045.948630 16.5999 BFGS: 1629 17:32:23 -7050.618301 16.7025 BFGS: 1630 17:32:23 -7055.310379 16.8053 BFGS: 1631 17:32:24 -7060.025494 16.9072 BFGS: 1632 17:32:24 -7064.763166 17.0159 BFGS: 1633 17:32:24 -7069.523400 17.1170 BFGS: 1634 17:32:25 -7074.304920 17.2175 BFGS: 1635 17:32:25 -7079.108171 17.3242 BFGS: 1636 17:32:25 -7083.934478 17.4240 BFGS: 1637 17:32:25 -7088.780611 17.5223 BFGS: 1638 17:32:26 -7093.645379 17.6199 BFGS: 1639 17:32:26 -7098.528907 17.7161 BFGS: 1640 17:32:26 -7103.430287 17.8114 BFGS: 1641 17:32:27 -7108.349185 17.9054 BFGS: 1642 17:32:27 -7113.284826 17.9982 BFGS: 1643 17:32:27 -7118.236670 18.0897 BFGS: 1644 17:32:27 -7123.203977 18.1798 BFGS: 1645 17:32:28 -7128.186255 18.2756 BFGS: 1646 17:32:28 -7133.184122 18.3696 BFGS: 1647 17:32:28 -7138.196145 18.4557 BFGS: 1648 17:32:29 -7143.221384 18.5395 BFGS: 1649 17:32:29 -7148.259285 18.6290 BFGS: 1650 17:32:29 -7153.308091 18.7095 BFGS: 1651 17:32:29 -7158.368000 18.7879 BFGS: 1652 17:32:30 -7163.437293 18.8645 BFGS: 1653 17:32:30 -7168.515458 18.9390 BFGS: 1654 17:32:30 -7173.601368 19.0115 BFGS: 1655 17:32:31 -7178.694346 19.0818 BFGS: 1656 17:32:31 -7183.793762 19.1570 BFGS: 1657 17:32:31 -7188.901601 19.2234 BFGS: 1658 17:32:32 -7194.014183 19.2869 BFGS: 1659 17:32:32 -7199.129954 19.3482 BFGS: 1660 17:32:32 -7204.248712 19.4068 BFGS: 1661 17:32:33 -7209.369308 19.4630 BFGS: 1662 17:32:33 -7214.491166 19.5165 BFGS: 1663 17:32:33 -7219.613348 19.5673 BFGS: 1664 17:32:33 -7224.735152 19.6154 BFGS: 1665 17:32:34 -7229.855826 19.6679 BFGS: 1666 17:32:34 -7234.977519 19.7176 BFGS: 1667 17:32:34 -7240.097285 19.7583 BFGS: 1668 17:32:35 -7245.214280 19.8028 BFGS: 1669 17:32:35 -7250.328125 19.8368 BFGS: 1670 17:32:35 -7255.436281 19.8682 BFGS: 1671 17:32:35 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19.6707 BFGS: 1696 17:32:43 -7384.900180 19.6313 BFGS: 1697 17:32:43 -7389.724860 19.5897 BFGS: 1698 17:32:43 -7394.535396 19.5461 BFGS: 1699 17:32:44 -7399.331520 19.5004 BFGS: 1700 17:32:44 -7404.112936 19.4527 BFGS: 1701 17:32:44 -7408.879372 19.4030 BFGS: 1702 17:32:45 -7413.631454 19.3585 BFGS: 1703 17:32:45 -7418.366868 19.3047 BFGS: 1704 17:32:45 -7423.087770 19.2485 BFGS: 1705 17:32:45 -7427.792490 19.1909 BFGS: 1706 17:32:46 -7432.481204 19.1312 BFGS: 1707 17:32:46 -7437.153228 19.0698 BFGS: 1708 17:32:46 -7441.809809 19.0137 BFGS: 1709 17:32:47 -7446.449296 18.9486 BFGS: 1710 17:32:47 -7451.071759 18.8813 BFGS: 1711 17:32:47 -7455.676668 18.8197 BFGS: 1712 17:32:48 -7460.264737 18.7492 BFGS: 1713 17:32:48 -7464.834300 18.6768 BFGS: 1714 17:32:48 -7469.385274 18.6025 BFGS: 1715 17:32:48 -7473.917435 18.5264 BFGS: 1716 17:32:49 -7478.430551 18.4485 BFGS: 1717 17:32:49 -7482.924361 18.3688 BFGS: 1718 17:32:49 -7487.398607 18.2873 BFGS: 1719 17:32:50 -7491.853023 18.2041 BFGS: 1720 17:32:50 -7496.287345 18.1191 BFGS: 1721 17:32:50 -7500.701307 18.0324 BFGS: 1722 17:32:51 -7505.094644 17.9440 BFGS: 1723 17:32:51 -7509.467090 17.8538 BFGS: 1724 17:32:51 -7513.818379 17.7619 BFGS: 1725 17:32:51 -7518.148245 17.6683 BFGS: 1726 17:32:52 -7522.456421 17.5730 BFGS: 1727 17:32:52 -7526.742643 17.4760 BFGS: 1728 17:32:52 -7531.006852 17.3846 BFGS: 1729 17:32:53 -7535.249674 17.2837 BFGS: 1730 17:32:53 -7539.469006 17.1818 BFGS: 1731 17:32:53 -7543.665776 17.0779 BFGS: 1732 17:32:54 -7547.838947 16.9726 BFGS: 1733 17:32:54 -7551.988698 16.8654 BFGS: 1734 17:32:54 -7556.114509 16.7567 BFGS: 1735 17:32:54 -7560.216269 16.6463 BFGS: 1736 17:32:55 -7564.293624 16.5342 BFGS: 1737 17:32:55 -7568.346360 16.4205 BFGS: 1738 17:32:56 -7572.374178 16.3051 BFGS: 1739 17:32:56 -7576.376830 16.1881 BFGS: 1740 17:32:56 -7580.354035 16.0694 BFGS: 1741 17:32:57 -7584.305531 15.9491 BFGS: 1742 17:32:57 -7588.232076 15.8345 BFGS: 1743 17:32:57 -7592.132406 15.7113 BFGS: 1744 17:32:57 -7596.006198 15.5860 BFGS: 1745 17:32:58 -7599.854477 15.4665 BFGS: 1746 17:32:58 -7603.677659 15.3391 BFGS: 1747 17:32:59 -7607.472906 15.2167 BFGS: 1748 17:32:59 -7611.240823 15.0852 BFGS: 1749 17:32:59 -7614.980176 14.9520 BFGS: 1750 17:32:59 -7618.691605 14.8654 BFGS: 1751 17:33:00 -7622.375280 14.7798 BFGS: 1752 17:33:00 -7626.032153 14.7033 BFGS: 1753 17:33:00 -7629.658624 14.6237 BFGS: 1754 17:33:01 -7633.256198 14.5425 BFGS: 1755 17:33:01 -7636.824507 14.4594 BFGS: 1756 17:33:01 -7640.362735 14.3760 BFGS: 1757 17:33:02 -7643.871420 14.2919 BFGS: 1758 17:33:02 -7647.349454 14.2072 BFGS: 1759 17:33:02 -7650.797059 14.1217 BFGS: 1760 17:33:02 -7654.213622 14.0354 BFGS: 1761 17:33:03 -7657.599090 13.9485 BFGS: 1762 17:33:03 -7660.953035 13.8608 BFGS: 1763 17:33:03 -7664.275281 13.7723 BFGS: 1764 17:33:04 -7667.565479 13.6832 BFGS: 1765 17:33:04 -7670.823399 13.5934 BFGS: 1766 17:33:04 -7674.048726 13.5029 BFGS: 1767 17:33:05 -7677.241205 13.4116 BFGS: 1768 17:33:05 -7680.400539 13.3197 BFGS: 1769 17:33:05 -7683.526458 13.2271 BFGS: 1770 17:33:06 -7686.618672 13.1339 BFGS: 1771 17:33:06 -7689.676906 13.0399 BFGS: 1772 17:33:06 -7692.701732 12.9565 BFGS: 1773 17:33:07 -7695.692217 12.8550 BFGS: 1774 17:33:07 -7698.647841 12.7566 BFGS: 1775 17:33:07 -7701.569153 12.6591 BFGS: 1776 17:33:07 -7704.454384 12.5594 BFGS: 1777 17:33:08 -7707.303965 12.4608 BFGS: 1778 17:33:08 -7710.118155 12.3622 BFGS: 1779 17:33:08 -7712.895839 12.2629 BFGS: 1780 17:33:09 -7715.637454 12.1631 BFGS: 1781 17:33:09 -7718.342316 12.0627 BFGS: 1782 17:33:09 -7721.011270 11.9620 BFGS: 1783 17:33:10 -7723.641839 11.8603 BFGS: 1784 17:33:10 -7726.235618 11.7583 BFGS: 1785 17:33:10 -7728.790765 11.6554 BFGS: 1786 17:33:10 -7731.308389 11.5521 BFGS: 1787 17:33:11 -7733.786635 11.4462 BFGS: 1788 17:33:11 -7736.226989 11.3416 BFGS: 1789 17:33:11 -7738.628584 11.2326 BFGS: 1790 17:33:12 -7740.991986 11.1295 BFGS: 1791 17:33:12 -7743.315435 11.0239 BFGS: 1792 17:33:12 -7745.599022 10.9173 BFGS: 1793 17:33:13 -7747.842314 10.8100 BFGS: 1794 17:33:13 -7750.045505 10.7019 BFGS: 1795 17:33:13 -7752.207938 10.5906 BFGS: 1796 17:33:13 -7754.329956 10.4812 BFGS: 1797 17:33:14 -7756.410664 10.3722 BFGS: 1798 17:33:14 -7758.450898 10.2574 BFGS: 1799 17:33:14 -7760.450443 10.1533 BFGS: 1800 17:33:15 -7762.407313 10.0442 BFGS: 1801 17:33:15 -7764.321779 9.9335 BFGS: 1802 17:33:15 -7766.193459 9.8218 BFGS: 1803 17:33:15 -7768.023316 9.7154 BFGS: 1804 17:33:16 -7769.810385 9.6005 BFGS: 1805 17:33:16 -7771.553748 9.4852 BFGS: 1806 17:33:16 -7773.252647 9.3680 BFGS: 1807 17:33:17 -7774.908869 9.2532 BFGS: 1808 17:33:17 -7776.519366 9.1365 BFGS: 1809 17:33:17 -7778.086578 9.0217 BFGS: 1810 17:33:18 -7779.608039 8.9042 BFGS: 1811 17:33:18 -7781.085136 8.7879 BFGS: 1812 17:33:18 -7782.516646 8.6707 BFGS: 1813 17:33:18 -7783.903151 8.5506 BFGS: 1814 17:33:19 -7785.244120 8.4324 BFGS: 1815 17:33:19 -7786.540227 8.3146 BFGS: 1816 17:33:19 -7787.790180 8.1987 BFGS: 1817 17:33:20 -7788.993216 8.0799 BFGS: 1818 17:33:20 -7790.149320 7.9603 BFGS: 1819 17:33:20 -7791.259253 7.8481 BFGS: 1820 17:33:21 -7792.322320 7.7216 BFGS: 1821 17:33:21 -7793.337586 7.5972 BFGS: 1822 17:33:21 -7794.305321 7.4745 BFGS: 1823 17:33:22 -7795.225107 7.3514 BFGS: 1824 17:33:22 -7796.096829 7.2279 BFGS: 1825 17:33:22 -7796.920237 7.1036 BFGS: 1826 17:33:23 -7797.695318 6.9789 BFGS: 1827 17:33:23 -7798.421820 6.8530 BFGS: 1828 17:33:23 -7799.099874 6.7268 BFGS: 1829 17:33:24 -7799.729205 6.5989 BFGS: 1830 17:33:24 -7800.310185 6.4713 BFGS: 1831 17:33:24 -7800.842475 6.3408 BFGS: 1832 17:33:24 -7801.327075 6.2185 BFGS: 1833 17:33:25 -7801.764084 6.0775 BFGS: 1834 17:33:25 -7802.154340 5.9453 BFGS: 1835 17:33:25 -7802.497202 5.8036 BFGS: 1836 17:33:26 -7802.795639 5.6742 BFGS: 1837 17:33:26 -7803.048701 5.5181 BFGS: 1838 17:33:26 -7803.262226 5.3966 BFGS: 1839 17:33:27 -7803.436271 5.2153 BFGS: 1840 17:33:27 -7803.583713 5.0877 BFGS: 1841 17:33:27 -7803.723211 4.8886 BFGS: 1842 17:33:28 -7803.886510 4.7101 BFGS: 1843 17:33:28 -7804.143336 4.5867 BFGS: 1844 17:33:28 -7804.637428 4.7211 BFGS: 1845 17:33:29 -7805.785983 4.6430 BFGS: 1846 17:33:29 -7807.580211 3.8715 BFGS: 1847 17:33:29 -7808.311901 3.3530 BFGS: 1848 17:33:30 -7808.846380 2.9333 BFGS: 1849 17:33:30 -7809.302801 2.5569 BFGS: 1850 17:33:30 -7809.710430 2.2062 BFGS: 1851 17:33:30 -7810.080545 1.8731 BFGS: 1852 17:33:31 -7810.418336 1.6706 BFGS: 1853 17:33:31 -7810.726333 1.5983 BFGS: 1854 17:33:31 -7811.005640 1.5121 BFGS: 1855 17:33:32 -7811.256450 1.4078 BFGS: 1856 17:33:32 -7811.478265 1.2803 BFGS: 1857 17:33:32 -7811.672070 1.1227 BFGS: 1858 17:33:33 -7811.833642 0.9345 BFGS: 1859 17:33:33 -7811.959962 0.6834 BFGS: 1860 17:33:33 -7812.039339 0.5254 BFGS: 1861 17:33:34 -7812.082535 0.4742 BFGS: 1862 17:33:34 -7812.138818 0.2007 BFGS: 1863 17:33:34 -7812.148108 0.0529 BFGS: 1864 17:33:34 -7812.149406 0.0201 BFGS: 1865 17:33:35 -7812.149520 0.0106 BFGS: 1866 17:33:35 -7812.149558 0.0061 BFGS: 1867 17:33:35 -7812.149572 0.0032 BFGS: 1868 17:33:36 -7812.149577 0.0009 BFGS: 1869 17:33:36 -7812.149578 0.0006 BFGS: 1870 17:33:36 -7812.149578 0.0004 BFGS: 1871 17:33:37 -7812.149578 0.0002 BFGS: 1872 17:33:37 -7812.149578 0.0000 BFGS: 1873 17:33:37 -7812.149578 0.0000 BFGS: 1874 17:33:37 -7812.149578 0.0000 BFGS: 1875 17:33:38 -7812.149578 0.0000 BFGS: 1876 17:33:38 -7812.149578 0.0000 BFGS: 1877 17:33:38 -7812.149578 0.0000 Minimization converged after 1877 steps. Maximum force component: 8.529215375591421e-09 eV/Angstrom Maximum stress component: 1.467514697689198e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 1.24473770e-01 9.28378514e-01] [0.00000000e+00 8.75526230e-01 9.28378514e-01] [5.89678431e-35 1.24473770e-01 7.16214859e-02] [1.52388079e-33 8.75526230e-01 7.16214859e-02] [9.28378514e-01 1.00000000e+00 1.24473770e-01] [9.28378514e-01 1.00000000e+00 8.75526230e-01] [7.16214859e-02 1.00000000e+00 1.24473770e-01] [7.16214859e-02 1.00000000e+00 8.75526230e-01] [1.24473770e-01 9.28378514e-01 0.00000000e+00] [8.75526230e-01 9.28378514e-01 0.00000000e+00] [1.24473770e-01 7.16214859e-02 6.21144588e-34] [8.75526230e-01 7.16214859e-02 1.02287915e-33] [1.50444986e-34 6.24473770e-01 4.28378514e-01] [0.00000000e+00 3.75526230e-01 4.28378514e-01] [6.54969654e-34 6.24473770e-01 5.71621486e-01] [2.53443758e-34 3.75526230e-01 5.71621486e-01] [9.28378514e-01 5.00000000e-01 6.24473770e-01] [9.28378514e-01 5.00000000e-01 3.75526230e-01] [7.16214859e-02 5.00000000e-01 6.24473770e-01] [7.16214859e-02 5.00000000e-01 3.75526230e-01] [1.24473770e-01 4.28378514e-01 5.00000000e-01] [8.75526230e-01 4.28378514e-01 5.00000000e-01] [1.24473770e-01 5.71621486e-01 5.00000000e-01] [8.75526230e-01 5.71621486e-01 5.00000000e-01] [5.00000000e-01 1.24473770e-01 4.28378514e-01] [5.00000000e-01 8.75526230e-01 4.28378514e-01] [5.00000000e-01 1.24473770e-01 5.71621486e-01] [5.00000000e-01 8.75526230e-01 5.71621486e-01] [4.28378514e-01 1.00000000e+00 6.24473770e-01] [4.28378514e-01 1.00000000e+00 3.75526230e-01] [5.71621486e-01 1.00000000e+00 6.24473770e-01] [5.71621486e-01 1.00000000e+00 3.75526230e-01] [6.24473770e-01 9.28378514e-01 5.00000000e-01] [3.75526230e-01 9.28378514e-01 5.00000000e-01] [6.24473770e-01 7.16214859e-02 5.00000000e-01] [3.75526230e-01 7.16214859e-02 5.00000000e-01] [5.00000000e-01 6.24473770e-01 9.28378514e-01] [5.00000000e-01 3.75526230e-01 9.28378514e-01] [5.00000000e-01 6.24473770e-01 7.16214859e-02] [5.00000000e-01 3.75526230e-01 7.16214859e-02] [4.28378514e-01 5.00000000e-01 1.24473770e-01] [4.28378514e-01 5.00000000e-01 8.75526230e-01] [5.71621486e-01 5.00000000e-01 1.24473770e-01] [5.71621486e-01 5.00000000e-01 8.75526230e-01] [6.24473770e-01 4.28378514e-01 0.00000000e+00] [3.75526230e-01 4.28378514e-01 0.00000000e+00] [6.24473770e-01 5.71621486e-01 6.25796334e-34] [3.75526230e-01 5.71621486e-01 8.90115665e-34] [6.32846582e-01 8.02251649e-01 5.74320885e-01] [3.67153418e-01 1.97748351e-01 5.74320885e-01] [3.67153418e-01 8.02251649e-01 4.25679115e-01] [6.32846582e-01 1.97748351e-01 4.25679115e-01] [5.74320885e-01 6.32846582e-01 8.02251649e-01] [5.74320885e-01 3.67153418e-01 1.97748351e-01] [4.25679115e-01 3.67153418e-01 8.02251649e-01] [4.25679115e-01 6.32846582e-01 1.97748351e-01] [8.02251649e-01 5.74320885e-01 6.32846582e-01] [1.97748351e-01 5.74320885e-01 3.67153418e-01] [8.02251649e-01 4.25679115e-01 3.67153418e-01] [1.97748351e-01 4.25679115e-01 6.32846582e-01] [6.32846582e-01 3.02251649e-01 7.43208854e-02] [3.67153418e-01 6.97748351e-01 7.43208854e-02] [3.67153418e-01 3.02251649e-01 9.25679115e-01] [6.32846582e-01 6.97748351e-01 9.25679115e-01] [5.74320885e-01 1.32846582e-01 3.02251649e-01] [5.74320885e-01 8.67153418e-01 6.97748351e-01] [4.25679115e-01 8.67153418e-01 3.02251649e-01] [4.25679115e-01 1.32846582e-01 6.97748351e-01] [8.02251649e-01 7.43208854e-02 1.32846582e-01] [1.97748351e-01 7.43208854e-02 8.67153418e-01] [8.02251649e-01 9.25679115e-01 8.67153418e-01] [1.97748351e-01 9.25679115e-01 1.32846582e-01] [1.32846582e-01 8.02251649e-01 7.43208854e-02] [8.67153418e-01 1.97748351e-01 7.43208854e-02] [8.67153418e-01 8.02251649e-01 9.25679115e-01] [1.32846582e-01 1.97748351e-01 9.25679115e-01] [7.43208854e-02 6.32846582e-01 3.02251649e-01] [7.43208854e-02 3.67153418e-01 6.97748351e-01] [9.25679115e-01 3.67153418e-01 3.02251649e-01] [9.25679115e-01 6.32846582e-01 6.97748351e-01] [3.02251649e-01 5.74320885e-01 1.32846582e-01] [6.97748351e-01 5.74320885e-01 8.67153418e-01] [3.02251649e-01 4.25679115e-01 8.67153418e-01] [6.97748351e-01 4.25679115e-01 1.32846582e-01] [1.32846582e-01 3.02251649e-01 5.74320885e-01] [8.67153418e-01 6.97748351e-01 5.74320885e-01] [8.67153418e-01 3.02251649e-01 4.25679115e-01] [1.32846582e-01 6.97748351e-01 4.25679115e-01] [7.43208854e-02 1.32846582e-01 8.02251649e-01] [7.43208854e-02 8.67153418e-01 1.97748351e-01] [9.25679115e-01 8.67153418e-01 8.02251649e-01] [9.25679115e-01 1.32846582e-01 1.97748351e-01] [3.02251649e-01 7.43208854e-02 6.32846582e-01] [6.97748351e-01 7.43208854e-02 3.67153418e-01] [3.02251649e-01 9.25679115e-01 3.67153418e-01] [6.97748351e-01 9.25679115e-01 6.32846582e-01] [3.67153418e-01 1.97748351e-01 4.25679115e-01] 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5.24639841e-09] [ 5.16316139e-30 -2.83883189e-09 5.24639841e-09] [ 1.29079035e-30 2.83883189e-09 -5.24639841e-09] [-1.29079035e-30 -2.83883189e-09 -5.24639841e-09] [ 5.24639841e-09 -5.16316139e-30 2.83883189e-09] [ 5.24639841e-09 5.16316139e-30 -2.83883189e-09] [-5.24639841e-09 2.84410036e-46 2.83883189e-09] [-5.24639841e-09 2.84410036e-46 -2.83883189e-09] [ 2.83883189e-09 5.24639841e-09 5.16316139e-30] [-2.83883189e-09 5.24639841e-09 5.16316139e-30] [ 2.83883189e-09 -5.24639841e-09 0.00000000e+00] [-2.83883189e-09 -5.24639841e-09 0.00000000e+00] [-7.74474209e-30 2.83883189e-09 5.24639841e-09] [ 6.45395174e-30 -2.83883189e-09 5.24639841e-09] [-4.44788869e-47 2.83883189e-09 -5.24639841e-09] [ 4.44788869e-47 -2.83883189e-09 -5.24639841e-09] [ 5.24639841e-09 3.87237104e-30 2.83883189e-09] [ 5.24639841e-09 5.16316139e-30 -2.83883189e-09] [-5.24639841e-09 -4.84046380e-31 2.83883189e-09] [-5.24639841e-09 2.84410036e-46 -2.83883189e-09] [ 2.83883189e-09 5.24639841e-09 -3.22697587e-30] 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3.87237104e-30 -2.83883189e-09] [-5.24639841e-09 1.61348793e-30 2.83883189e-09] [-5.24639841e-09 -1.29079035e-30 -2.83883189e-09] [ 2.83883189e-09 5.24639841e-09 -5.16316139e-30] [-2.83883189e-09 5.24639841e-09 -5.16316139e-30] [ 2.83883189e-09 -5.24639841e-09 0.00000000e+00] [-2.83883189e-09 -5.24639841e-09 -5.16316139e-30] [-2.66236115e-09 -3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 -8.52921538e-09] [ 8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 2.66236115e-09 -3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 3.53300196e-10] [-3.53300196e-10 8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 2.66236115e-09] [ 3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [-2.66236115e-09 -3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 -8.52921538e-09] [ 8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 2.66236115e-09 -3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 3.53300196e-10] [-3.53300196e-10 8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 2.66236115e-09] [ 3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [-2.66236115e-09 -3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 -8.52921538e-09] [ 8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 2.66236115e-09 -3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 3.53300196e-10] [-3.53300196e-10 8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 2.66236115e-09] [ 3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [-2.66236115e-09 -3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 -8.52921538e-09] [ 8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 2.66236115e-09 -3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 3.53300196e-10] [-3.53300196e-10 8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 2.66236115e-09] [ 3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [ 2.66236115e-09 3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 8.52921538e-09] [-8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 -2.66236115e-09 3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 -3.53300196e-10] [ 3.53300196e-10 -8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 -2.66236115e-09] [-3.53300196e-10 8.52921538e-09 2.66236115e-09] [ 2.66236115e-09 3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 8.52921538e-09] [-8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 -2.66236115e-09 3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 -3.53300196e-10] [ 3.53300196e-10 -8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 -2.66236115e-09] [-3.53300196e-10 8.52921538e-09 2.66236115e-09] [ 2.66236115e-09 3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 8.52921538e-09] [-8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 -2.66236115e-09 3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 -3.53300196e-10] [ 3.53300196e-10 -8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 -2.66236115e-09] [-3.53300196e-10 8.52921538e-09 2.66236115e-09] [ 2.66236115e-09 3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 -3.53300196e-10 -8.52921538e-09] [-2.66236115e-09 3.53300196e-10 8.52921538e-09] [ 2.66236115e-09 -3.53300196e-10 8.52921538e-09] [-8.52921538e-09 2.66236115e-09 3.53300196e-10] [-8.52921538e-09 -2.66236115e-09 -3.53300196e-10] [ 8.52921538e-09 -2.66236115e-09 3.53300196e-10] [ 8.52921538e-09 2.66236115e-09 -3.53300196e-10] [ 3.53300196e-10 -8.52921538e-09 2.66236115e-09] [-3.53300196e-10 -8.52921538e-09 -2.66236115e-09] [ 3.53300196e-10 8.52921538e-09 -2.66236115e-09] [-3.53300196e-10 8.52921538e-09 2.66236115e-09] [-1.43412047e-09 3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [ 3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.56804773e-09 3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 1.43412047e-09] [-3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-1.43412047e-09 3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [ 3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.56804773e-09 3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 1.43412047e-09] [-3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-1.43412047e-09 3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [ 3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.56804773e-09 3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 1.43412047e-09] [-3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-1.43412047e-09 3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [ 3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.56804773e-09 3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 1.43412047e-09] [-3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [ 1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 3.18599594e-09] [-3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.56804773e-09 -3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 -1.43412047e-09] [ 3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 3.18599594e-09] [-3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.56804773e-09 -3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 -1.43412047e-09] [ 3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 3.18599594e-09] [-3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.56804773e-09 -3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 -1.43412047e-09] [ 3.56804773e-09 3.18599594e-09 1.43412047e-09] [ 1.43412047e-09 -3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 3.56804773e-09 -3.18599594e-09] [-1.43412047e-09 -3.56804773e-09 3.18599594e-09] [ 1.43412047e-09 3.56804773e-09 3.18599594e-09] [-3.18599594e-09 1.43412047e-09 -3.56804773e-09] [-3.18599594e-09 -1.43412047e-09 3.56804773e-09] [ 3.18599594e-09 -1.43412047e-09 -3.56804773e-09] [ 3.18599594e-09 1.43412047e-09 3.56804773e-09] [-3.56804773e-09 -3.18599594e-09 1.43412047e-09] [ 3.56804773e-09 -3.18599594e-09 -1.43412047e-09] [-3.56804773e-09 3.18599594e-09 -1.43412047e-09] [ 3.56804773e-09 3.18599594e-09 1.43412047e-09]] stress = [ 1.46751470e-11 1.46751470e-11 1.46751470e-11 0.00000000e+00 0.00000000e+00 -2.18250936e-32] energy per atom = -32.550623242111364 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0