element(s): ['P'] AFLOW prototype label: A_aP24_2_12i Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['11.9784', '0.50260469', '0.98808689', '100.3294', '94.2173', '99.1223', '0.68591653', '0.074375761', '0.0041414802', '0.53323651', '0.59537798', '0.1864442', '0.18920112', '0.14773771', '0.046367938', '0.55510985', '0.76116147', '0.36996414', '0.034301503', '0.70080758', '0.31830022', '0.8668515', '0.224929', '0.012719331', '0.66509207', '0.51558754', '0.30547324', '0.48438101', '0.3923374', '0.31829976', '0.13322102', '0.050198923', '0.37212241', '0.80931069', '0.0082587499', '0.13636209', '0.14181624', '0.79726284', '0.48458477', '0.220967', '0.75847616', '0.32153273'] model name: Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P'] representative atom coordinates = [[0.68591653 0.07437576 0.00414148] [0.53323651 0.59537798 0.1864442 ] [0.18920112 0.14773771 0.04636794] [0.55510985 0.76116147 0.36996414] [0.0343015 0.70080758 0.31830022] [0.8668515 0.224929 0.01271933] [0.66509207 0.51558754 0.30547324] [0.48438101 0.3923374 0.31829976] [0.13322102 0.05019892 0.37212241] [0.80931069 0.00825875 0.13636209] [0.14181624 0.79726284 0.48458477] [0.220967 0.75847616 0.32153273]] spacegroup = 2 cell = [[11.9784, 0, 0], [-0.95448845446516, 5.9442550374536, 0], [-0.87038938740072, -2.2891710697211, 11.579547168083]] ========================================= Step Time Energy fmax BFGS: 0 16:36:54 -11.079264 3.7339 BFGS: 1 16:36:54 -10.205754 5.4174 BFGS: 2 16:36:54 -12.601654 0.1808 BFGS: 3 16:36:54 -12.603203 0.2132 BFGS: 4 16:36:54 -12.604725 0.2002 BFGS: 5 16:36:54 -12.614083 0.4229 BFGS: 6 16:36:54 -12.633572 0.7631 BFGS: 7 16:36:54 -12.654407 0.9582 BFGS: 8 16:36:54 -12.676194 1.1097 BFGS: 9 16:36:54 -12.698553 1.2337 BFGS: 10 16:36:54 -12.721231 1.3618 BFGS: 11 16:36:54 -12.744202 1.4784 BFGS: 12 16:36:54 -12.767424 1.5968 BFGS: 13 16:36:54 -12.790840 1.7146 BFGS: 14 16:36:54 -12.814400 1.8344 BFGS: 15 16:36:54 -12.838069 1.9563 BFGS: 16 16:36:54 -12.861814 2.0810 BFGS: 17 16:36:54 -12.885606 2.2084 BFGS: 18 16:36:54 -12.909415 2.3387 BFGS: 19 16:36:54 -12.933212 2.4719 BFGS: 20 16:36:54 -12.956965 2.6079 BFGS: 21 16:36:54 -12.980645 2.7466 BFGS: 22 16:36:54 -13.004222 2.8882 BFGS: 23 16:36:54 -13.027665 3.0326 BFGS: 24 16:36:55 -13.050947 3.1800 BFGS: 25 16:36:55 -13.074045 3.3305 BFGS: 26 16:36:55 -13.096942 3.4841 BFGS: 27 16:36:55 -13.119632 3.6405 BFGS: 28 16:36:55 -13.142121 3.7987 BFGS: 29 16:36:55 -13.164431 3.9572 BFGS: 30 16:36:55 -13.186602 4.1137 BFGS: 31 16:36:55 -13.208687 4.2656 BFGS: 32 16:36:55 -13.230755 4.4104 BFGS: 33 16:36:55 -13.252879 4.5456 BFGS: 34 16:36:55 -13.275134 4.6692 BFGS: 35 16:36:55 -13.297593 4.7800 BFGS: 36 16:36:55 -13.320320 4.8770 BFGS: 37 16:36:55 -13.343374 4.9598 BFGS: 38 16:36:55 -13.366801 5.0284 BFGS: 39 16:36:55 -13.390639 5.0833 BFGS: 40 16:36:55 -13.414920 5.1254 BFGS: 41 16:36:55 -13.439673 5.1556 BFGS: 42 16:36:55 -13.464922 5.1754 BFGS: 43 16:36:55 -13.490696 5.1860 BFGS: 44 16:36:55 -13.517030 5.1887 BFGS: 45 16:36:55 -13.543964 5.1846 BFGS: 46 16:36:55 -13.571549 5.1742 BFGS: 47 16:36:55 -13.599838 5.1574 BFGS: 48 16:36:55 -13.628888 5.1335 BFGS: 49 16:36:55 -13.658747 5.1008 BFGS: 50 16:36:55 -13.689444 5.0569 BFGS: 51 16:36:55 -13.720975 4.9989 BFGS: 52 16:36:55 -13.753290 4.9252 BFGS: 53 16:36:55 -13.786294 4.8357 BFGS: 54 16:36:55 -13.819866 4.7326 BFGS: 55 16:36:55 -13.853878 4.6189 BFGS: 56 16:36:55 -13.888221 4.4978 BFGS: 57 16:36:55 -13.922815 4.3715 BFGS: 58 16:36:55 -13.957612 4.2419 BFGS: 59 16:36:55 -13.992591 4.1103 BFGS: 60 16:36:55 -14.027755 3.9774 BFGS: 61 16:36:55 -14.063122 3.8440 BFGS: 62 16:36:55 -14.098766 3.7102 BFGS: 63 16:36:55 -14.134090 3.5868 BFGS: 64 16:36:55 -14.169961 3.4659 BFGS: 65 16:36:55 -14.206288 3.3507 BFGS: 66 16:36:55 -14.242703 3.2413 BFGS: 67 16:36:55 -14.279823 3.1337 BFGS: 68 16:36:55 -14.317356 3.0338 BFGS: 69 16:36:55 -14.354533 2.9396 BFGS: 70 16:36:55 -14.396387 2.7359 BFGS: 71 16:36:56 -14.438001 2.5734 BFGS: 72 16:36:56 -14.477226 2.1223 BFGS: 73 16:36:56 -14.512375 1.6030 BFGS: 74 16:36:56 -14.556230 1.3183 BFGS: 75 16:36:56 -14.593796 1.0900 BFGS: 76 16:36:56 -14.635195 0.7644 BFGS: 77 16:36:56 -14.683111 0.7235 BFGS: 78 16:36:56 -14.727077 0.8427 BFGS: 79 16:36:56 -14.767620 0.6881 BFGS: 80 16:36:56 -14.814181 1.2686 BFGS: 81 16:36:56 -14.959488 1.8955 BFGS: 82 16:36:56 -15.353375 2.0039 BFGS: 83 16:36:56 -15.936938 2.7076 BFGS: 84 16:36:56 -16.774530 3.9867 BFGS: 85 16:36:56 -17.800007 3.9604 BFGS: 86 16:36:56 -18.840718 3.2824 BFGS: 87 16:36:56 -19.690146 3.2414 BFGS: 88 16:36:56 -20.318610 3.7892 BFGS: 89 16:36:56 -20.842097 4.3922 BFGS: 90 16:36:56 -21.091163 3.2971 BFGS: 91 16:36:56 -21.531009 4.1588 BFGS: 92 16:36:56 -21.915390 6.9782 BFGS: 93 16:36:56 -22.564688 3.5591 BFGS: 94 16:36:56 -22.928864 4.1968 BFGS: 95 16:36:56 -24.328029 5.4820 BFGS: 96 16:36:56 -25.592923 4.5111 BFGS: 97 16:36:57 -26.667184 3.7646 BFGS: 98 16:36:57 -27.639571 3.6773 BFGS: 99 16:36:57 -28.787260 9.1044 BFGS: 100 16:36:57 -29.960851 18.0846 BFGS: 101 16:36:57 -30.580116 7.5750 BFGS: 102 16:36:57 -31.151393 8.3118 BFGS: 103 16:36:57 -31.741211 9.0753 BFGS: 104 16:36:57 -32.126700 9.2184 BFGS: 105 16:36:57 -32.636947 7.0443 BFGS: 106 16:36:57 -33.247116 5.1937 BFGS: 107 16:36:57 -33.822240 3.6698 BFGS: 108 16:36:57 -34.736656 4.6956 BFGS: 109 16:36:57 -36.156303 18.1536 BFGS: 110 16:36:57 -36.999993 14.9822 BFGS: 111 16:36:57 -37.775504 4.5673 BFGS: 112 16:36:57 -38.365099 3.3033 BFGS: 113 16:36:57 -39.094625 3.8023 BFGS: 114 16:36:57 -39.903315 3.9432 BFGS: 115 16:36:57 -41.096156 10.6268 BFGS: 116 16:36:57 -42.072450 13.2063 BFGS: 117 16:36:57 -43.060620 12.0204 BFGS: 118 16:36:57 -43.883616 5.5238 BFGS: 119 16:36:58 -46.434178 18.4231 BFGS: 120 16:36:58 -46.988789 5.3603 BFGS: 121 16:36:58 -47.285582 5.3186 BFGS: 122 16:36:58 -47.962551 6.6507 BFGS: 123 16:36:58 -48.283717 6.5213 BFGS: 124 16:36:58 -48.540944 4.9867 BFGS: 125 16:36:58 -48.692590 4.9289 BFGS: 126 16:36:58 -49.081585 4.7933 BFGS: 127 16:36:58 -49.394586 4.8030 BFGS: 128 16:36:58 -49.667199 4.8272 BFGS: 129 16:36:58 -49.942673 4.8392 BFGS: 130 16:36:58 -50.207744 4.7691 BFGS: 131 16:36:58 -50.446694 4.7175 BFGS: 132 16:36:58 -50.675231 4.4706 BFGS: 133 16:36:58 -50.843562 4.5087 BFGS: 134 16:36:58 -51.019878 3.8878 BFGS: 135 16:36:58 -51.166931 3.6872 BFGS: 136 16:36:58 -51.327728 3.5282 BFGS: 137 16:36:59 -51.518707 2.8609 BFGS: 138 16:36:59 -51.777681 4.2119 BFGS: 139 16:36:59 -51.858480 7.2048 BFGS: 140 16:36:59 -52.047807 1.7421 BFGS: 141 16:36:59 -52.181992 1.6503 BFGS: 142 16:36:59 -52.323683 3.4625 BFGS: 143 16:36:59 -52.362727 9.1067 BFGS: 144 16:36:59 -52.471308 2.7792 BFGS: 145 16:36:59 -52.393231 8.2307 BFGS: 146 16:36:59 -52.559348 4.4213 BFGS: 147 16:36:59 -52.567219 4.5668 BFGS: 148 16:36:59 -52.629369 2.7738 BFGS: 149 16:36:59 -52.658854 2.7683 BFGS: 150 16:36:59 -52.717694 2.6442 BFGS: 151 16:36:59 -52.772558 3.9829 BFGS: 152 16:36:59 -52.843693 2.3607 BFGS: 153 16:36:59 -52.899719 1.7996 BFGS: 154 16:36:59 -52.836899 5.2516 BFGS: 155 16:36:59 -52.929286 1.6208 BFGS: 156 16:36:59 -52.941076 1.7956 BFGS: 157 16:36:59 -52.945673 1.6757 BFGS: 158 16:37:00 -52.967362 0.9334 BFGS: 159 16:37:00 -52.982226 2.0632 BFGS: 160 16:37:00 -53.018545 1.7884 BFGS: 161 16:37:00 -53.052214 1.6594 BFGS: 162 16:37:00 -53.088343 1.2160 BFGS: 163 16:37:00 -53.090489 2.5732 BFGS: 164 16:37:00 -53.102074 2.2288 BFGS: 165 16:37:00 -53.135017 0.8875 BFGS: 166 16:37:00 -53.145570 1.9085 BFGS: 167 16:37:00 -53.165926 1.0301 BFGS: 168 16:37:00 -53.177815 1.2824 BFGS: 169 16:37:00 -53.190820 1.0147 BFGS: 170 16:37:00 -53.190093 2.0742 BFGS: 171 16:37:00 -53.210091 1.1171 BFGS: 172 16:37:00 -53.200777 1.4221 BFGS: 173 16:37:00 -53.227987 0.8885 BFGS: 174 16:37:00 -53.198565 3.0729 BFGS: 175 16:37:01 -53.238397 1.6347 BFGS: 176 16:37:01 -53.226073 2.7148 BFGS: 177 16:37:01 -53.255890 0.9399 BFGS: 178 16:37:01 -53.249267 1.8915 BFGS: 179 16:37:01 -53.266382 0.8832 BFGS: 180 16:37:01 -53.278002 2.0926 BFGS: 181 16:37:01 -53.292955 1.5847 BFGS: 182 16:37:01 -53.286374 1.5576 BFGS: 183 16:37:01 -53.304960 0.4374 BFGS: 184 16:37:01 -53.306106 1.0244 BFGS: 185 16:37:01 -53.310615 1.0517 BFGS: 186 16:37:01 -53.311126 0.9744 BFGS: 187 16:37:01 -53.315154 0.3247 BFGS: 188 16:37:01 -53.319125 0.8193 BFGS: 189 16:37:01 -53.316764 1.8285 BFGS: 190 16:37:01 -53.324470 0.9674 BFGS: 191 16:37:01 -53.327689 0.9068 BFGS: 192 16:37:01 -53.333324 1.1993 BFGS: 193 16:37:02 -53.333920 2.1450 BFGS: 194 16:37:02 -53.347185 0.7791 BFGS: 195 16:37:02 -53.356468 0.9311 BFGS: 196 16:37:02 -53.365875 1.1821 BFGS: 197 16:37:02 -53.371798 1.1008 BFGS: 198 16:37:02 -53.381747 1.3404 BFGS: 199 16:37:02 -53.386654 0.9412 BFGS: 200 16:37:02 -53.398416 1.1324 BFGS: 201 16:37:02 -53.411113 1.1217 BFGS: 202 16:37:02 -53.416036 0.9474 BFGS: 203 16:37:02 -53.425399 0.7650 BFGS: 204 16:37:02 -53.430934 1.7074 BFGS: 205 16:37:02 -53.436514 1.5185 BFGS: 206 16:37:02 -53.443653 0.7300 BFGS: 207 16:37:02 -53.444912 1.6945 BFGS: 208 16:37:02 -53.448397 1.4361 BFGS: 209 16:37:02 -53.453340 0.8377 BFGS: 210 16:37:02 -53.456523 0.9394 BFGS: 211 16:37:03 -53.455664 0.9406 BFGS: 212 16:37:03 -53.459220 0.8745 BFGS: 213 16:37:03 -53.459938 1.1406 BFGS: 214 16:37:03 -53.463829 1.2627 BFGS: 215 16:37:03 -53.473506 1.7273 BFGS: 216 16:37:03 -53.554622 4.3964 BFGS: 217 16:37:03 -53.773887 3.5094 BFGS: 218 16:37:03 -53.944472 3.0319 BFGS: 219 16:37:03 -54.019908 1.8420 BFGS: 220 16:37:03 -54.106062 1.6295 BFGS: 221 16:37:03 -54.150319 1.6749 BFGS: 222 16:37:03 -54.177950 0.8297 BFGS: 223 16:37:03 -54.179021 1.7786 BFGS: 224 16:37:03 -54.186784 1.4305 BFGS: 225 16:37:03 -54.198187 1.7792 BFGS: 226 16:37:03 -54.207841 0.9220 BFGS: 227 16:37:03 -54.219100 1.4193 BFGS: 228 16:37:03 -54.224838 1.5772 BFGS: 229 16:37:03 -54.230326 1.5156 BFGS: 230 16:37:04 -54.230520 1.0724 BFGS: 231 16:37:04 -54.236326 0.8172 BFGS: 232 16:37:04 -54.237431 2.1750 BFGS: 233 16:37:04 -54.247653 1.1317 BFGS: 234 16:37:04 -54.253746 0.4219 BFGS: 235 16:37:04 -54.266507 0.4439 BFGS: 236 16:37:04 -54.277214 1.2148 BFGS: 237 16:37:04 -54.280419 0.9758 BFGS: 238 16:37:04 -54.285168 0.6357 BFGS: 239 16:37:04 -54.275047 1.5796 BFGS: 240 16:37:04 -54.289051 1.3029 BFGS: 241 16:37:04 -54.291770 0.5171 BFGS: 242 16:37:04 -54.295383 0.5686 BFGS: 243 16:37:04 -54.286909 1.1296 BFGS: 244 16:37:04 -54.301209 1.1345 BFGS: 245 16:37:04 -54.290104 0.8674 BFGS: 246 16:37:04 -54.305224 0.7490 BFGS: 247 16:37:04 -54.304043 0.8872 BFGS: 248 16:37:04 -54.309891 0.9901 BFGS: 249 16:37:04 -54.302607 0.6893 BFGS: 250 16:37:04 -54.312693 0.6073 BFGS: 251 16:37:04 -54.302220 1.9007 BFGS: 252 16:37:04 -54.314109 1.1381 BFGS: 253 16:37:05 -54.313164 0.6174 BFGS: 254 16:37:05 -54.319421 0.5851 BFGS: 255 16:37:05 -54.318414 1.0446 BFGS: 256 16:37:05 -54.323213 1.0439 BFGS: 257 16:37:05 -54.307535 2.5535 BFGS: 258 16:37:05 -54.320408 0.5761 BFGS: 259 16:37:05 -54.325000 1.0176 BFGS: 260 16:37:05 -54.328992 0.6097 BFGS: 261 16:37:05 -54.331949 0.3946 BFGS: 262 16:37:05 -54.324936 2.2872 BFGS: 263 16:37:05 -54.334463 0.9495 BFGS: 264 16:37:05 -54.332369 0.7171 BFGS: 265 16:37:05 -54.337925 1.2230 BFGS: 266 16:37:05 -54.326906 1.1978 BFGS: 267 16:37:05 -54.339862 0.8307 BFGS: 268 16:37:05 -54.325105 2.2746 BFGS: 269 16:37:05 -54.341496 1.2638 BFGS: 270 16:37:05 -54.320042 1.1471 BFGS: 271 16:37:05 -54.343724 0.6596 BFGS: 272 16:37:05 -54.339063 1.9686 BFGS: 273 16:37:05 -54.347348 1.0663 BFGS: 274 16:37:05 -54.349174 1.4552 BFGS: 275 16:37:05 -54.350744 1.1279 BFGS: 276 16:37:06 -54.355993 0.7843 BFGS: 277 16:37:06 -54.361316 0.7021 BFGS: 278 16:37:06 -54.366607 0.9509 BFGS: 279 16:37:06 -54.372102 1.0167 BFGS: 280 16:37:06 -54.377641 1.0595 BFGS: 281 16:37:06 -54.383428 1.0950 BFGS: 282 16:37:06 -54.389464 1.1314 BFGS: 283 16:37:06 -54.397760 1.1706 BFGS: 284 16:37:06 -54.410889 1.2172 BFGS: 285 16:37:06 -54.431949 1.2760 BFGS: 286 16:37:06 -54.465844 1.3495 BFGS: 287 16:37:06 -54.521596 1.4380 BFGS: 288 16:37:06 -54.613947 1.5520 BFGS: 289 16:37:06 -54.763733 1.9649 BFGS: 290 16:37:06 -54.993671 2.1630 BFGS: 291 16:37:06 -55.176739 2.4940 BFGS: 292 16:37:06 -55.440246 2.2131 BFGS: 293 16:37:06 -55.668135 2.0630 BFGS: 294 16:37:06 -55.848845 2.0460 BFGS: 295 16:37:06 -56.008239 2.4332 BFGS: 296 16:37:06 -56.149865 2.7102 BFGS: 297 16:37:06 -56.271247 2.6794 BFGS: 298 16:37:06 -56.385394 2.5842 BFGS: 299 16:37:06 -56.488528 2.6376 BFGS: 300 16:37:06 -56.575374 2.3721 BFGS: 301 16:37:06 -56.660104 2.2733 BFGS: 302 16:37:06 -56.736607 2.3027 BFGS: 303 16:37:06 -56.800103 2.1323 BFGS: 304 16:37:06 -56.839218 2.1226 BFGS: 305 16:37:06 -56.879083 1.7349 BFGS: 306 16:37:06 -56.948828 1.0856 BFGS: 307 16:37:06 -56.988521 0.9345 BFGS: 308 16:37:06 -57.012942 1.0386 BFGS: 309 16:37:06 -57.040669 1.5028 BFGS: 310 16:37:06 -57.079953 1.7424 BFGS: 311 16:37:07 -57.129775 1.2471 BFGS: 312 16:37:07 -57.158983 1.3266 BFGS: 313 16:37:07 -57.179170 2.3544 BFGS: 314 16:37:07 -57.193312 1.3713 BFGS: 315 16:37:07 -57.217928 1.3789 BFGS: 316 16:37:07 -57.245491 0.8082 BFGS: 317 16:37:07 -57.249269 1.6994 BFGS: 318 16:37:07 -57.259974 1.4115 BFGS: 319 16:37:07 -57.273469 1.0363 BFGS: 320 16:37:07 -57.283559 0.7622 BFGS: 321 16:37:07 -57.314422 1.6694 BFGS: 322 16:37:07 -57.333258 2.0712 BFGS: 323 16:37:07 -57.363539 2.0558 BFGS: 324 16:37:07 -57.395473 2.2244 BFGS: 325 16:37:07 -57.428538 1.4953 BFGS: 326 16:37:07 -57.479701 2.0833 BFGS: 327 16:37:08 -57.525803 2.2171 BFGS: 328 16:37:08 -57.569916 2.3464 BFGS: 329 16:37:08 -57.633965 2.6893 BFGS: 330 16:37:08 -57.711491 2.8383 BFGS: 331 16:37:08 -57.771966 2.7583 BFGS: 332 16:37:08 -57.908905 2.3073 BFGS: 333 16:37:08 -58.042888 2.7924 BFGS: 334 16:37:08 -58.170638 3.3208 BFGS: 335 16:37:08 -58.280960 2.4957 BFGS: 336 16:37:08 -58.439462 2.0384 BFGS: 337 16:37:08 -58.555026 1.6677 BFGS: 338 16:37:08 -58.620397 2.0551 BFGS: 339 16:37:08 -58.688786 2.0220 BFGS: 340 16:37:08 -58.770328 2.2087 BFGS: 341 16:37:08 -58.815614 2.5398 BFGS: 342 16:37:08 -58.838399 2.4405 BFGS: 343 16:37:09 -58.868932 2.3465 BFGS: 344 16:37:09 -58.899131 1.6192 BFGS: 345 16:37:09 -58.896284 3.9801 BFGS: 346 16:37:09 -58.957989 2.3383 BFGS: 347 16:37:09 -58.995523 1.8883 BFGS: 348 16:37:09 -59.032338 1.8262 BFGS: 349 16:37:09 -59.101436 3.1774 BFGS: 350 16:37:09 -59.177139 1.8907 BFGS: 351 16:37:09 -59.216696 2.2854 BFGS: 352 16:37:09 -59.247174 2.1656 BFGS: 353 16:37:09 -59.280921 2.0652 BFGS: 354 16:37:10 -59.311389 1.9246 BFGS: 355 16:37:10 -59.336196 1.7989 BFGS: 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0.9628 BFGS: 3183 16:39:02 -61.925397 0.8117 BFGS: 3184 16:39:02 -61.925187 0.2895 BFGS: 3185 16:39:02 -61.925431 0.1964 BFGS: 3186 16:39:02 -61.924989 0.9021 BFGS: 3187 16:39:02 -61.925590 0.2067 BFGS: 3188 16:39:03 -61.925458 0.6166 BFGS: 3189 16:39:03 -61.925551 0.5061 BFGS: 3190 16:39:03 -61.925193 0.2976 BFGS: 3191 16:39:03 -61.925416 0.2050 BFGS: 3192 16:39:03 -61.925012 0.8998 BFGS: 3193 16:39:03 -61.925578 0.2078 BFGS: 3194 16:39:03 -61.925479 0.5373 BFGS: 3195 16:39:03 -61.925571 0.4804 BFGS: 3196 16:39:03 -61.925267 0.3007 BFGS: 3197 16:39:03 -61.925443 0.2102 BFGS: 3198 16:39:03 -61.924955 0.9087 BFGS: 3199 16:39:03 -61.925595 0.3444 BFGS: 3200 16:39:03 -61.925394 0.2868 BFGS: 3201 16:39:03 -61.925513 0.2106 BFGS: 3202 16:39:03 -61.924793 0.9305 BFGS: 3203 16:39:03 -61.925517 0.5077 BFGS: 3204 16:39:03 -61.925096 0.3106 BFGS: 3205 16:39:03 -61.925376 0.2898 BFGS: 3206 16:39:03 -61.925082 0.8896 BFGS: 3207 16:39:03 -61.925553 0.2091 BFGS: 3208 16:39:03 -61.925525 0.5054 BFGS: 3209 16:39:03 -61.925590 0.2079 BFGS: 3210 16:39:03 -61.925583 0.4471 BFGS: 3211 16:39:03 -61.925599 0.2080 BFGS: 3212 16:39:03 -61.925594 0.4139 BFGS: 3213 16:39:03 -61.925598 0.3902 BFGS: 3214 16:39:03 -61.925561 0.5285 BFGS: 3215 16:39:03 -61.925579 0.2097 BFGS: 3216 16:39:03 -61.924205 1.0139 BFGS: 3217 16:39:03 -61.925392 0.8202 BFGS: 3218 16:39:03 -61.924779 0.4497 BFGS: 3219 16:39:03 -61.925234 0.5929 BFGS: 3220 16:39:03 -61.924573 0.9684 BFGS: 3221 16:39:03 -61.925506 0.5288 BFGS: 3222 16:39:03 -61.925532 0.5122 BFGS: 3223 16:39:04 -61.925557 0.2024 BFGS: 3224 16:39:04 -61.925588 0.2037 BFGS: 3225 16:39:04 -61.924091 1.0100 BFGS: 3226 16:39:04 -61.925358 0.8341 BFGS: 3227 16:39:04 -61.925032 0.5267 BFGS: 3228 16:39:04 -61.925327 0.4982 BFGS: 3229 16:39:04 -61.924798 0.9396 BFGS: 3230 16:39:04 -61.925535 0.5279 BFGS: 3231 16:39:04 -61.925523 0.5250 BFGS: 3232 16:39:04 -61.925578 0.1996 BFGS: 3233 16:39:04 -61.925603 0.2010 BFGS: 3234 16:39:04 -61.924230 0.9992 BFGS: 3235 16:39:04 -61.925352 0.8366 BFGS: 3236 16:39:04 -61.925117 0.5225 BFGS: 3237 16:39:04 -61.925370 0.2866 BFGS: 3238 16:39:04 -61.924857 0.9334 BFGS: 3239 16:39:04 -61.925553 0.1967 BFGS: 3240 16:39:04 -61.925513 0.5279 BFGS: 3241 16:39:04 -61.925592 0.1986 BFGS: 3242 16:39:04 -61.925593 0.4573 BFGS: 3243 16:39:04 -61.925601 0.1998 BFGS: 3244 16:39:04 -61.925605 0.3505 BFGS: 3245 16:39:04 -61.925605 0.2013 BFGS: 3246 16:39:04 -61.925606 0.2020 BFGS: 3247 16:39:04 -61.925600 0.4343 BFGS: 3248 16:39:04 -61.925606 0.3969 BFGS: 3249 16:39:04 -61.925573 0.2027 BFGS: 3250 16:39:04 -61.925591 0.2039 BFGS: 3251 16:39:04 -61.924832 0.9336 BFGS: 3252 16:39:04 -61.925487 0.7791 BFGS: 3253 16:39:04 -61.925245 0.2229 BFGS: 3254 16:39:04 -61.925454 0.2194 BFGS: 3255 16:39:04 -61.925136 0.8918 BFGS: 3256 16:39:04 -61.925588 0.1979 BFGS: 3257 16:39:04 -61.925537 0.5198 BFGS: 3258 16:39:04 -61.925606 0.3884 BFGS: 3259 16:39:05 -61.925453 0.2203 BFGS: 3260 16:39:05 -61.925535 0.2113 BFGS: 3261 16:39:05 -61.924931 0.9223 BFGS: 3262 16:39:05 -61.925563 0.5200 BFGS: 3263 16:39:05 -61.925172 0.2266 BFGS: 3264 16:39:05 -61.925417 0.2227 BFGS: 3265 16:39:05 -61.925164 0.8877 BFGS: 3266 16:39:05 -61.925563 0.2023 BFGS: 3267 16:39:05 -61.925571 0.5200 BFGS: 3268 16:39:05 -61.925596 0.1995 BFGS: 3269 16:39:05 -61.925613 0.2002 BFGS: 3270 16:39:05 -61.925148 0.8897 BFGS: 3271 16:39:05 -61.925519 0.5209 BFGS: 3272 16:39:05 -61.925193 0.2289 BFGS: 3273 16:39:05 -61.925426 0.2213 BFGS: 3274 16:39:05 -61.925105 0.8979 BFGS: 3275 16:39:05 -61.925574 0.1987 BFGS: 3276 16:39:05 -61.925555 0.5195 BFGS: 3277 16:39:05 -61.925605 0.1992 BFGS: 3278 16:39:05 -61.925607 0.3960 BFGS: 3279 16:39:05 -61.925613 0.1997 BFGS: 3280 16:39:05 -61.925616 0.3166 BFGS: 3281 16:39:05 -61.925615 0.2004 BFGS: 3282 16:39:05 -61.925617 0.2010 BFGS: 3283 16:39:05 -61.925220 0.8748 BFGS: 3284 16:39:05 -61.925556 0.5954 BFGS: 3285 16:39:05 -61.925447 0.1927 BFGS: 3286 16:39:05 -61.925574 0.1934 BFGS: 3287 16:39:05 -61.925104 0.8920 BFGS: 3288 16:39:05 -61.925580 0.5703 BFGS: 3289 16:39:05 -61.925417 0.1934 BFGS: 3290 16:39:05 -61.925558 0.1939 BFGS: 3291 16:39:05 -61.925051 0.8997 BFGS: 3292 16:39:05 -61.925588 0.5484 BFGS: 3293 16:39:06 -61.925429 0.1950 BFGS: 3294 16:39:06 -61.925561 0.1945 BFGS: 3295 16:39:06 -61.925022 0.9046 BFGS: 3296 16:39:06 -61.925587 0.5729 BFGS: 3297 16:39:06 -61.925386 0.1961 BFGS: 3298 16:39:06 -61.925545 0.1949 BFGS: 3299 16:39:06 -61.925047 0.9028 BFGS: 3300 16:39:06 -61.925602 0.5193 BFGS: 3301 16:39:06 -61.925498 0.1961 BFGS: 3302 16:39:06 -61.925586 0.1982 BFGS: 3303 16:39:06 -61.924995 0.9103 BFGS: 3304 16:39:06 -61.925572 0.5929 BFGS: 3305 16:39:06 -61.925360 0.1983 BFGS: 3306 16:39:06 -61.925538 0.1957 BFGS: 3307 16:39:06 -61.925055 0.9039 BFGS: 3308 16:39:06 -61.925611 0.4954 BFGS: 3309 16:39:06 -61.925489 0.1971 BFGS: 3310 16:39:06 -61.925580 0.1993 BFGS: 3311 16:39:06 -61.924963 0.9166 BFGS: 3312 16:39:06 -61.925578 0.6855 BFGS: 3313 16:39:06 -61.925340 0.2002 BFGS: 3314 16:39:06 -61.925528 0.1994 BFGS: 3315 16:39:06 -61.925061 0.9055 BFGS: 3316 16:39:06 -61.925620 0.4342 BFGS: 3317 16:39:06 -61.925504 0.2013 BFGS: 3318 16:39:06 -61.925584 0.2009 BFGS: 3319 16:39:06 -61.924940 0.9494 BFGS: 3320 16:39:06 -61.925579 0.5891 BFGS: 3321 16:39:06 -61.925332 0.2020 BFGS: 3322 16:39:06 -61.925524 0.2026 BFGS: 3323 16:39:06 -61.925091 0.9000 BFGS: 3324 16:39:06 -61.925629 0.2021 BFGS: 3325 16:39:06 -61.925570 0.6883 BFGS: 3326 16:39:06 -61.925617 0.4348 BFGS: 3327 16:39:06 -61.925576 0.2054 BFGS: 3328 16:39:06 -61.925609 0.2031 BFGS: 3329 16:39:06 -61.924933 0.9231 BFGS: 3330 16:39:06 -61.925561 0.5841 BFGS: 3331 16:39:07 -61.925327 0.2077 BFGS: 3332 16:39:07 -61.925521 0.2056 BFGS: 3333 16:39:07 -61.925160 0.8931 BFGS: 3334 16:39:07 -61.925623 0.2012 BFGS: 3335 16:39:07 -61.925569 0.5792 BFGS: 3336 16:39:07 -61.925623 0.4057 BFGS: 3337 16:39:07 -61.925559 0.2066 BFGS: 3338 16:39:07 -61.925600 0.2040 BFGS: 3339 16:39:07 -61.924940 0.9442 BFGS: 3340 16:39:07 -61.925575 0.5841 BFGS: 3341 16:39:07 -61.925306 0.2021 BFGS: 3342 16:39:07 -61.925510 0.2015 BFGS: 3343 16:39:07 -61.925187 0.8900 BFGS: 3344 16:39:07 -61.925614 0.2086 BFGS: 3345 16:39:07 -61.925589 0.4838 BFGS: 3346 16:39:07 -61.925632 0.2098 BFGS: 3347 16:39:07 -61.925626 0.4331 BFGS: 3348 16:39:07 -61.925633 0.3896 BFGS: 3349 16:39:07 -61.925608 0.2036 BFGS: 3350 16:39:07 -61.925622 0.2059 BFGS: 3351 16:39:07 -61.924908 0.9288 BFGS: 3352 16:39:07 -61.925554 0.5878 BFGS: 3353 16:39:07 -61.925314 0.1913 BFGS: 3354 16:39:07 -61.925510 0.1916 BFGS: 3355 16:39:07 -61.925206 0.8875 BFGS: 3356 16:39:07 -61.925610 0.2011 BFGS: 3357 16:39:07 -61.925598 0.4592 BFGS: 3358 16:39:07 -61.925630 0.2035 BFGS: 3359 16:39:07 -61.925630 0.3976 BFGS: 3360 16:39:07 -61.925634 0.2040 BFGS: 3361 16:39:07 -61.925636 0.2041 BFGS: 3362 16:39:07 -61.925191 0.8955 BFGS: 3363 16:39:07 -61.925583 0.5793 BFGS: 3364 16:39:07 -61.925444 0.2024 BFGS: 3365 16:39:07 -61.925562 0.2016 BFGS: 3366 16:39:07 -61.925236 0.8877 BFGS: 3367 16:39:08 -61.925631 0.5261 BFGS: 3368 16:39:08 -61.925591 0.5704 BFGS: 3369 16:39:08 -61.925631 0.4228 BFGS: 3370 16:39:08 -61.925593 0.2046 BFGS: 3371 16:39:08 -61.925617 0.2034 BFGS: 3372 16:39:08 -61.925076 0.9161 BFGS: 3373 16:39:08 -61.925594 0.5639 BFGS: 3374 16:39:08 -61.925402 0.2106 BFGS: 3375 16:39:08 -61.925543 0.2062 BFGS: 3376 16:39:08 -61.925280 0.8832 BFGS: 3377 16:39:08 -61.925619 0.2014 BFGS: 3378 16:39:08 -61.925611 0.4441 BFGS: 3379 16:39:08 -61.925634 0.2005 BFGS: 3380 16:39:08 -61.925636 0.3788 BFGS: 3381 16:39:08 -61.925638 0.2002 BFGS: 3382 16:39:08 -61.925640 0.2004 BFGS: 3383 16:39:08 -61.925554 0.7806 BFGS: 3384 16:39:08 -61.925625 0.4296 BFGS: 3385 16:39:08 -61.925604 0.2024 BFGS: 3386 16:39:08 -61.925626 0.2018 BFGS: 3387 16:39:08 -61.925143 0.9048 BFGS: 3388 16:39:08 -61.925598 0.5687 BFGS: 3389 16:39:08 -61.925438 0.2090 BFGS: 3390 16:39:08 -61.925558 0.2049 BFGS: 3391 16:39:08 -61.925333 0.8719 BFGS: 3392 16:39:08 -61.925624 0.2005 BFGS: 3393 16:39:08 -61.925620 0.5184 BFGS: 3394 16:39:08 -61.925637 0.1995 BFGS: 3395 16:39:08 -61.925639 0.3691 BFGS: 3396 16:39:08 -61.925641 0.1994 BFGS: 3397 16:39:08 -61.925642 0.2561 BFGS: 3398 16:39:08 -61.925593 0.5742 BFGS: 3399 16:39:08 -61.925632 0.4191 BFGS: 3400 16:39:08 -61.925611 0.2017 BFGS: 3401 16:39:09 -61.925630 0.2011 BFGS: 3402 16:39:09 -61.925216 0.9255 BFGS: 3403 16:39:09 -61.925608 0.5630 BFGS: 3404 16:39:09 -61.925479 0.2095 BFGS: 3405 16:39:09 -61.925576 0.2045 BFGS: 3406 16:39:09 -61.925376 0.8630 BFGS: 3407 16:39:09 -61.925630 0.2005 BFGS: 3408 16:39:09 -61.925625 0.5354 BFGS: 3409 16:39:09 -61.925640 0.2000 BFGS: 3410 16:39:09 -61.925643 0.3621 BFGS: 3411 16:39:09 -61.925643 0.1998 BFGS: 3412 16:39:09 -61.925644 0.1999 BFGS: 3413 16:39:09 -61.925402 0.8545 BFGS: 3414 16:39:09 -61.925611 0.5778 BFGS: 3415 16:39:09 -61.925526 0.2040 BFGS: 3416 16:39:09 -61.925598 0.2012 BFGS: 3417 16:39:09 -61.925368 0.8918 BFGS: 3418 16:39:09 -61.925642 0.2014 BFGS: 3419 16:39:09 -61.925613 0.5765 BFGS: 3420 16:39:09 -61.925641 0.3855 BFGS: 3421 16:39:09 -61.925625 0.2040 BFGS: 3422 16:39:09 -61.925637 0.2025 BFGS: 3423 16:39:09 -61.925241 0.8928 BFGS: 3424 16:39:09 -61.925610 0.5773 BFGS: 3425 16:39:09 -61.925494 0.2153 BFGS: 3426 16:39:09 -61.925586 0.2076 BFGS: 3427 16:39:09 -61.925388 0.8615 BFGS: 3428 16:39:09 -61.925636 0.2008 BFGS: 3429 16:39:09 -61.925626 0.5591 BFGS: 3430 16:39:09 -61.925645 0.2001 BFGS: 3431 16:39:09 -61.925644 0.3746 BFGS: 3432 16:39:09 -61.925647 0.2951 BFGS: 3433 16:39:10 -61.925641 0.2007 BFGS: 3434 16:39:10 -61.925644 0.2002 BFGS: 3435 16:39:10 -61.925269 0.9300 BFGS: 3436 16:39:10 -61.925607 0.5743 BFGS: 3437 16:39:10 -61.925499 0.2154 BFGS: 3438 16:39:10 -61.925586 0.2078 BFGS: 3439 16:39:10 -61.925381 0.8752 BFGS: 3440 16:39:10 -61.925635 0.2006 BFGS: 3441 16:39:10 -61.925632 0.4785 BFGS: 3442 16:39:10 -61.925644 0.1988 BFGS: 3443 16:39:10 -61.925648 0.3494 BFGS: 3444 16:39:10 -61.925647 0.1990 BFGS: 3445 16:39:10 -61.925649 0.1992 BFGS: 3446 16:39:10 -61.925319 0.8758 BFGS: 3447 16:39:10 -61.925610 0.5659 BFGS: 3448 16:39:10 -61.925528 0.1969 BFGS: 3449 16:39:10 -61.925600 0.1960 BFGS: 3450 16:39:10 -61.925415 0.8547 BFGS: 3451 16:39:10 -61.925642 0.1980 BFGS: 3452 16:39:10 -61.925629 0.5532 BFGS: 3453 16:39:10 -61.925650 0.1999 BFGS: 3454 16:39:10 -61.925646 0.3915 BFGS: 3455 16:39:10 -61.925649 0.3563 BFGS: 3456 16:39:10 -61.925633 0.2012 BFGS: 3457 16:39:10 -61.925642 0.2006 BFGS: 3458 16:39:10 -61.925225 0.9239 BFGS: 3459 16:39:10 -61.925616 0.5664 BFGS: 3460 16:39:10 -61.925497 0.2118 BFGS: 3461 16:39:10 -61.925585 0.2054 BFGS: 3462 16:39:10 -61.925410 0.8563 BFGS: 3463 16:39:10 -61.925632 0.2000 BFGS: 3464 16:39:10 -61.925646 0.3885 BFGS: 3465 16:39:10 -61.925644 0.1989 BFGS: 3466 16:39:10 -61.925649 0.1987 BFGS: 3467 16:39:10 -61.925234 0.9209 BFGS: 3468 16:39:10 -61.925610 0.5708 BFGS: 3469 16:39:10 -61.925500 0.2099 BFGS: 3470 16:39:11 -61.925588 0.2032 BFGS: 3471 16:39:11 -61.925421 0.8513 BFGS: 3472 16:39:11 -61.925634 0.1988 BFGS: 3473 16:39:11 -61.925649 0.5121 BFGS: 3474 16:39:11 -61.925643 0.1985 BFGS: 3475 16:39:11 -61.925649 0.1993 BFGS: 3476 16:39:11 -61.925487 0.8322 BFGS: 3477 16:39:11 -61.925638 0.5610 BFGS: 3478 16:39:11 -61.925557 0.2065 BFGS: 3479 16:39:11 -61.925607 0.2018 BFGS: 3480 16:39:11 -61.925378 0.8932 BFGS: 3481 16:39:11 -61.925646 0.1995 BFGS: 3482 16:39:11 -61.925633 0.5687 BFGS: 3483 16:39:11 -61.925653 0.2001 BFGS: 3484 16:39:11 -61.925653 0.3629 BFGS: 3485 16:39:11 -61.925655 0.2466 BFGS: 3486 16:39:11 -61.925656 0.3345 BFGS: 3487 16:39:11 -61.925656 0.1994 BFGS: 3488 16:39:11 -61.925657 0.5420 BFGS: 3489 16:39:11 -61.925657 0.4735 BFGS: 3490 16:39:11 -61.925657 0.3416 BFGS: 3491 16:39:11 -61.925658 0.3172 BFGS: 3492 16:39:11 -61.925657 0.6346 BFGS: 3493 16:39:11 -61.925661 0.4727 BFGS: 3494 16:39:11 -61.925664 0.4595 BFGS: 3495 16:39:11 -61.925661 0.6434 BFGS: 3496 16:39:11 -61.925669 0.1902 BFGS: 3497 16:39:11 -61.925672 0.6208 BFGS: 3498 16:39:11 -61.925673 0.4704 BFGS: 3499 16:39:11 -61.925675 0.1884 BFGS: 3500 16:39:11 -61.925678 0.2521 BFGS: 3501 16:39:11 -61.925677 0.5116 BFGS: 3502 16:39:11 -61.925683 0.4925 BFGS: 3503 16:39:11 -61.925675 0.6386 BFGS: 3504 16:39:11 -61.925686 0.6177 BFGS: 3505 16:39:12 -61.925691 0.5220 BFGS: 3506 16:39:12 -61.925693 0.6119 BFGS: 3507 16:39:12 -61.925696 0.5796 BFGS: 3508 16:39:12 -61.925703 0.2128 BFGS: 3509 16:39:12 -61.925706 0.2136 BFGS: 3510 16:39:12 -61.925710 0.2150 BFGS: 3511 16:39:12 -61.925713 0.2136 BFGS: 3512 16:39:12 -61.925719 0.2042 BFGS: 3513 16:39:12 -61.925724 0.2037 BFGS: 3514 16:39:12 -61.925727 0.5176 BFGS: 3515 16:39:12 -61.925731 0.5166 BFGS: 3516 16:39:12 -61.925735 0.1962 BFGS: 3517 16:39:12 -61.925738 0.5150 BFGS: 3518 16:39:12 -61.925705 0.8648 BFGS: 3519 16:39:12 -61.925717 0.7106 BFGS: 3520 16:39:12 -61.925749 0.5177 BFGS: 3521 16:39:12 -61.925755 0.5180 BFGS: 3522 16:39:12 -61.925752 0.3190 BFGS: 3523 16:39:12 -61.925760 0.2007 BFGS: 3524 16:39:12 -61.925762 0.5189 BFGS: 3525 16:39:12 -61.925767 0.7065 BFGS: 3526 16:39:12 -61.925773 0.5199 BFGS: 3527 16:39:12 -61.925772 1.0158 BFGS: 3528 16:39:12 -61.925777 0.5164 BFGS: 3529 16:39:12 -61.925778 0.5189 BFGS: 3530 16:39:12 -61.925781 0.5192 BFGS: 3531 16:39:12 -61.925784 0.1969 BFGS: 3532 16:39:12 -61.925784 0.3939 BFGS: 3533 16:39:12 -61.925787 0.5179 BFGS: 3534 16:39:12 -61.925791 0.5197 BFGS: 3535 16:39:12 -61.925792 0.7056 BFGS: 3536 16:39:12 -61.925792 0.3901 BFGS: 3537 16:39:12 -61.925796 0.5200 BFGS: 3538 16:39:12 -61.925798 0.5233 BFGS: 3539 16:39:12 -61.925800 0.5114 BFGS: 3540 16:39:13 -61.925804 0.7597 BFGS: 3541 16:39:13 -61.925808 0.6841 BFGS: 3542 16:39:13 -61.925811 0.4988 BFGS: 3543 16:39:13 -61.925815 0.4960 BFGS: 3544 16:39:13 -61.925794 1.1647 BFGS: 3545 16:39:13 -61.925821 0.2383 BFGS: 3546 16:39:13 -61.925823 0.1808 BFGS: 3547 16:39:13 -61.925826 0.3557 BFGS: 3548 16:39:13 -61.925828 0.1796 BFGS: 3549 16:39:13 -61.925830 0.1796 BFGS: 3550 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16:40:08 -61.923749 0.5858 BFGS: 5441 16:40:08 -61.925258 0.4748 BFGS: 5442 16:40:08 -61.924170 1.2533 BFGS: 5443 16:40:08 -61.925685 1.1157 BFGS: 5444 16:40:09 -61.923783 0.5859 BFGS: 5445 16:40:09 -61.925261 0.4432 BFGS: 5446 16:40:09 -61.924168 1.2543 BFGS: 5447 16:40:09 -61.925685 1.1161 BFGS: 5448 16:40:09 -61.923787 0.5867 BFGS: 5449 16:40:09 -61.925266 0.3094 BFGS: 5450 16:40:09 -61.924145 1.2541 BFGS: 5451 16:40:09 -61.925699 1.1099 BFGS: 5452 16:40:09 -61.923760 0.5884 BFGS: 5453 16:40:09 -61.925259 0.4251 BFGS: 5454 16:40:09 -61.924168 1.2543 BFGS: 5455 16:40:09 -61.925687 1.1150 BFGS: 5456 16:40:09 -61.923782 0.5891 BFGS: 5457 16:40:09 -61.925264 0.3096 BFGS: 5458 16:40:09 -61.924145 1.2543 BFGS: 5459 16:40:09 -61.925700 1.1094 BFGS: 5460 16:40:09 -61.923756 0.5905 BFGS: 5461 16:40:09 -61.925257 0.4187 BFGS: 5462 16:40:09 -61.924167 1.2546 BFGS: 5463 16:40:09 -61.925688 1.1144 BFGS: 5464 16:40:09 -61.923776 0.5908 BFGS: 5465 16:40:09 -61.925262 0.3097 BFGS: 5466 16:40:09 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7199 16:40:59 -61.925609 1.1332 BFGS: 7200 16:40:59 -61.923513 0.5940 BFGS: 7201 16:40:59 -61.925083 0.3238 BFGS: 7202 16:40:59 -61.923972 1.3161 BFGS: 7203 16:40:59 -61.925686 1.0836 BFGS: 7204 16:40:59 -61.923421 0.5975 BFGS: 7205 16:40:59 -61.925167 0.3194 BFGS: 7206 16:40:59 -61.923872 1.3214 BFGS: 7207 16:40:59 -61.925617 1.1303 BFGS: 7208 16:40:59 -61.923506 0.5947 BFGS: 7209 16:40:59 -61.925116 0.3221 BFGS: 7210 16:41:00 -61.923930 1.3184 BFGS: 7211 16:41:00 -61.925660 1.1060 BFGS: 7212 16:41:00 -61.923455 0.5967 BFGS: 7213 16:41:00 -61.925153 0.3199 BFGS: 7214 16:41:00 -61.923886 1.3207 BFGS: 7215 16:41:00 -61.925628 1.1243 BFGS: 7216 16:41:00 -61.923494 0.5954 BFGS: 7217 16:41:00 -61.925114 0.3220 BFGS: 7218 16:41:00 -61.923934 1.3181 BFGS: 7219 16:41:00 -61.925663 1.1031 BFGS: 7220 16:41:00 -61.923454 0.5970 BFGS: 7221 16:41:00 -61.925152 0.3198 BFGS: 7222 16:41:00 -61.923890 1.3204 BFGS: 7223 16:41:00 -61.925630 1.1226 BFGS: 7224 16:41:00 -61.923494 0.5956 BFGS: 7225 16:41:00 -61.925113 0.3218 BFGS: 7226 16:41:00 -61.923938 1.3179 BFGS: 7227 16:41:00 -61.925664 1.1013 BFGS: 7228 16:41:00 -61.923455 0.5972 BFGS: 7229 16:41:00 -61.925152 0.3197 BFGS: 7230 16:41:00 -61.923894 1.3202 BFGS: 7231 16:41:00 -61.925631 1.1215 BFGS: 7232 16:41:00 -61.923496 0.5958 BFGS: 7233 16:41:00 -61.925113 0.3217 BFGS: 7234 16:41:00 -61.923941 1.3178 BFGS: 7235 16:41:00 -61.925665 1.1000 BFGS: 7236 16:41:00 -61.923457 0.5973 BFGS: 7237 16:41:00 -61.925152 0.3197 BFGS: 7238 16:41:00 -61.923896 1.3202 BFGS: 7239 16:41:00 -61.925632 1.1207 BFGS: 7240 16:41:00 -61.923497 0.5959 BFGS: 7241 16:41:00 -61.925113 0.3217 BFGS: 7242 16:41:00 -61.923943 1.3178 BFGS: 7243 16:41:00 -61.925665 1.0991 BFGS: 7244 16:41:00 -61.923461 0.5974 BFGS: 7245 16:41:00 -61.925177 0.3183 BFGS: 7246 16:41:00 -61.923869 1.3218 BFGS: 7247 16:41:00 -61.925609 1.1313 BFGS: 7248 16:41:00 -61.923516 0.5943 BFGS: 7249 16:41:00 -61.925084 0.3235 BFGS: 7250 16:41:00 -61.923976 1.3163 BFGS: 7251 16:41:00 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16:41:35 -61.923820 1.3355 BFGS: 8591 16:41:35 -61.925576 1.1148 BFGS: 8592 16:41:35 -61.923517 0.5847 BFGS: 8593 16:41:35 -61.925093 0.3211 BFGS: 8594 16:41:35 -61.923919 1.3299 BFGS: 8595 16:41:35 -61.925649 0.5734 BFGS: 8596 16:41:35 -61.923414 0.5889 BFGS: 8597 16:41:35 -61.925181 0.3165 BFGS: 8598 16:41:35 -61.923805 1.3365 BFGS: 8599 16:41:36 -61.925571 1.1210 BFGS: 8600 16:41:36 -61.923519 0.5848 BFGS: 8601 16:41:36 -61.925125 0.3194 BFGS: 8602 16:41:36 -61.923871 1.3327 BFGS: 8603 16:41:36 -61.925621 1.0712 BFGS: 8604 16:41:36 -61.923464 0.5871 BFGS: 8605 16:41:36 -61.925158 0.3176 BFGS: 8606 16:41:36 -61.923835 1.3347 BFGS: 8607 16:41:36 -61.925593 1.1031 BFGS: 8608 16:41:36 -61.923497 0.5857 BFGS: 8609 16:41:36 -61.925116 0.3198 BFGS: 8610 16:41:36 -61.923886 1.3317 BFGS: 8611 16:41:36 -61.925630 1.0453 BFGS: 8612 16:41:36 -61.923458 0.5874 BFGS: 8613 16:41:36 -61.925180 0.3164 BFGS: 8614 16:41:36 -61.923814 1.3358 BFGS: 8615 16:41:36 -61.925575 1.1158 BFGS: 8616 16:41:36 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16:41:38 -61.925574 1.1129 BFGS: 8696 16:41:38 -61.923527 0.5837 BFGS: 8697 16:41:38 -61.925121 0.3191 BFGS: 8698 16:41:38 -61.923889 1.3322 BFGS: 8699 16:41:38 -61.925627 1.0342 BFGS: 8700 16:41:38 -61.923468 0.5862 BFGS: 8701 16:41:38 -61.925182 0.3159 BFGS: 8702 16:41:38 -61.923818 1.3362 BFGS: 8703 16:41:38 -61.925574 1.1125 BFGS: 8704 16:41:38 -61.923527 0.5837 BFGS: 8705 16:41:38 -61.925126 0.3189 BFGS: 8706 16:41:38 -61.923883 1.3326 BFGS: 8707 16:41:38 -61.925623 1.0471 BFGS: 8708 16:41:38 -61.923470 0.5861 BFGS: 8709 16:41:38 -61.925159 0.3171 BFGS: 8710 16:41:38 -61.923844 1.3348 BFGS: 8711 16:41:38 -61.925595 1.0941 BFGS: 8712 16:41:38 -61.923504 0.5846 BFGS: 8713 16:41:39 -61.925117 0.3192 BFGS: 8714 16:41:39 -61.923893 1.3319 BFGS: 8715 16:41:39 -61.925630 1.0133 BFGS: 8716 16:41:39 -61.923464 0.5863 BFGS: 8717 16:41:39 -61.925184 0.3157 BFGS: 8718 16:41:39 -61.923817 1.3363 BFGS: 8719 16:41:39 -61.925573 1.1125 BFGS: 8720 16:41:39 -61.923520 0.5832 BFGS: 8721 16:41:39 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9719 16:42:04 -61.925549 1.1102 BFGS: 9720 16:42:04 -61.923574 0.5622 BFGS: 9721 16:42:04 -61.925153 0.3152 BFGS: 9722 16:42:04 -61.923866 1.3368 BFGS: 9723 16:42:04 -61.925597 1.0110 BFGS: 9724 16:42:04 -61.923522 0.5656 BFGS: 9725 16:42:04 -61.925211 0.3121 BFGS: 9726 16:42:04 -61.923801 1.3407 BFGS: 9727 16:42:04 -61.925548 1.1100 BFGS: 9728 16:42:04 -61.923577 0.5617 BFGS: 9729 16:42:04 -61.925154 0.3151 BFGS: 9730 16:42:04 -61.923867 1.3369 BFGS: 9731 16:42:04 -61.925597 1.0072 BFGS: 9732 16:42:04 -61.923524 0.5653 BFGS: 9733 16:42:04 -61.925212 0.3120 BFGS: 9734 16:42:04 -61.923802 1.3407 BFGS: 9735 16:42:04 -61.925548 1.1094 BFGS: 9736 16:42:04 -61.923578 0.5614 BFGS: 9737 16:42:04 -61.925154 0.3150 BFGS: 9738 16:42:04 -61.923868 1.3369 BFGS: 9739 16:42:04 -61.925597 1.0020 BFGS: 9740 16:42:04 -61.923524 0.5651 BFGS: 9741 16:42:04 -61.925212 0.3119 BFGS: 9742 16:42:04 -61.923803 1.3407 BFGS: 9743 16:42:04 -61.925548 1.1088 BFGS: 9744 16:42:04 -61.923579 0.5612 BFGS: 9745 16:42:04 -61.925154 0.3149 BFGS: 9746 16:42:04 -61.923868 1.3370 BFGS: 9747 16:42:04 -61.925597 0.9966 BFGS: 9748 16:42:04 -61.923525 0.5649 BFGS: 9749 16:42:04 -61.925212 0.3119 BFGS: 9750 16:42:04 -61.923803 1.3408 BFGS: 9751 16:42:04 -61.925548 1.1083 BFGS: 9752 16:42:04 -61.923579 0.5609 BFGS: 9753 16:42:04 -61.925154 0.3149 BFGS: 9754 16:42:04 -61.923868 1.3370 BFGS: 9755 16:42:04 -61.925597 0.9908 BFGS: 9756 16:42:04 -61.923525 0.5647 BFGS: 9757 16:42:04 -61.925212 0.3118 BFGS: 9758 16:42:04 -61.923804 1.3408 BFGS: 9759 16:42:04 -61.925549 1.1077 BFGS: 9760 16:42:04 -61.923579 0.5607 BFGS: 9761 16:42:04 -61.925155 0.3148 BFGS: 9762 16:42:05 -61.923869 1.3370 BFGS: 9763 16:42:05 -61.925597 0.9841 BFGS: 9764 16:42:05 -61.923525 0.5644 BFGS: 9765 16:42:05 -61.925211 0.3118 BFGS: 9766 16:42:05 -61.923804 1.3408 BFGS: 9767 16:42:05 -61.925549 1.1071 BFGS: 9768 16:42:05 -61.923579 0.5604 BFGS: 9769 16:42:05 -61.925155 0.3148 BFGS: 9770 16:42:05 -61.923869 1.3370 BFGS: 9771 16:42:05 -61.925597 0.9759 BFGS: 9772 16:42:05 -61.923525 0.5642 BFGS: 9773 16:42:05 -61.925211 0.3118 BFGS: 9774 16:42:05 -61.923805 1.3408 BFGS: 9775 16:42:05 -61.925549 1.1065 BFGS: 9776 16:42:05 -61.923579 0.5602 BFGS: 9777 16:42:05 -61.925155 0.3148 BFGS: 9778 16:42:05 -61.923869 1.3370 BFGS: 9779 16:42:05 -61.925597 0.9653 BFGS: 9780 16:42:05 -61.923525 0.5640 BFGS: 9781 16:42:05 -61.925211 0.3118 BFGS: 9782 16:42:05 -61.923805 1.3408 BFGS: 9783 16:42:05 -61.925550 1.1059 BFGS: 9784 16:42:05 -61.923579 0.5599 BFGS: 9785 16:42:05 -61.925155 0.3147 BFGS: 9786 16:42:05 -61.923870 1.3371 BFGS: 9787 16:42:05 -61.925597 0.9505 BFGS: 9788 16:42:05 -61.923525 0.5638 BFGS: 9789 16:42:05 -61.925210 0.3117 BFGS: 9790 16:42:05 -61.923806 1.3408 BFGS: 9791 16:42:05 -61.925550 1.1052 BFGS: 9792 16:42:05 -61.923579 0.5597 BFGS: 9793 16:42:05 -61.925155 0.3147 BFGS: 9794 16:42:05 -61.923870 1.3371 BFGS: 9795 16:42:05 -61.925597 0.9305 BFGS: 9796 16:42:05 -61.923524 0.5636 BFGS: 9797 16:42:05 -61.925210 0.3117 BFGS: 9798 16:42:05 -61.923807 1.3408 BFGS: 9799 16:42:05 -61.925550 1.1045 BFGS: 9800 16:42:05 -61.923579 0.5595 BFGS: 9801 16:42:05 -61.925154 0.3147 BFGS: 9802 16:42:05 -61.923870 1.3371 BFGS: 9803 16:42:05 -61.925597 0.5676 BFGS: 9804 16:42:05 -61.923507 0.5645 BFGS: 9805 16:42:05 -61.925216 0.3114 BFGS: 9806 16:42:05 -61.923789 1.3418 BFGS: 9807 16:42:06 -61.925541 1.1144 BFGS: 9808 16:42:06 -61.923584 0.5587 BFGS: 9809 16:42:06 -61.925157 0.3146 BFGS: 9810 16:42:06 -61.923860 1.3376 BFGS: 9811 16:42:06 -61.925592 1.0175 BFGS: 9812 16:42:06 -61.923524 0.5631 BFGS: 9813 16:42:06 -61.925186 0.3130 BFGS: 9814 16:42:06 -61.923829 1.3394 BFGS: 9815 16:42:06 -61.925569 1.0826 BFGS: 9816 16:42:06 -61.923558 0.5608 BFGS: 9817 16:42:06 -61.925204 0.3119 BFGS: 9818 16:42:06 -61.923811 1.3404 BFGS: 9819 16:42:06 -61.925555 1.0997 BFGS: 9820 16:42:06 -61.923574 0.5591 BFGS: 9821 16:42:06 -61.925153 0.3147 BFGS: 9822 16:42:06 -61.923873 1.3368 BFGS: 9823 16:42:06 -61.925599 0.5668 BFGS: 9824 16:42:06 -61.923507 0.5638 BFGS: 9825 16:42:06 -61.925221 0.3111 BFGS: 9826 16:42:06 -61.923785 1.3420 BFGS: 9827 16:42:06 -61.925537 1.1166 BFGS: 9828 16:42:06 -61.923590 0.5574 BFGS: 9829 16:42:06 -61.925160 0.3144 BFGS: 9830 16:42:06 -61.923859 1.3377 BFGS: 9831 16:42:06 -61.925591 1.0216 BFGS: 9832 16:42:06 -61.923529 0.5621 BFGS: 9833 16:42:06 -61.925188 0.3128 BFGS: 9834 16:42:06 -61.923829 1.3394 BFGS: 9835 16:42:06 -61.925569 1.0825 BFGS: 9836 16:42:06 -61.923561 0.5597 BFGS: 9837 16:42:06 -61.925206 0.3118 BFGS: 9838 16:42:06 -61.923812 1.3404 BFGS: 9839 16:42:06 -61.925554 1.0993 BFGS: 9840 16:42:06 -61.923577 0.5580 BFGS: 9841 16:42:06 -61.925154 0.3146 BFGS: 9842 16:42:06 -61.923875 1.3368 BFGS: 9843 16:42:06 -61.925599 0.5665 BFGS: 9844 16:42:06 -61.923510 0.5629 BFGS: 9845 16:42:06 -61.925223 0.3110 BFGS: 9846 16:42:06 -61.923786 1.3420 BFGS: 9847 16:42:06 -61.925536 1.1164 BFGS: 9848 16:42:06 -61.923593 0.5562 BFGS: 9849 16:42:06 -61.925162 0.3143 BFGS: 9850 16:42:06 -61.923860 1.3377 BFGS: 9851 16:42:07 -61.925590 1.0196 BFGS: 9852 16:42:07 -61.923531 0.5611 BFGS: 9853 16:42:07 -61.925190 0.3127 BFGS: 9854 16:42:07 -61.923830 1.3394 BFGS: 9855 16:42:07 -61.925568 1.0818 BFGS: 9856 16:42:07 -61.923564 0.5587 BFGS: 9857 16:42:07 -61.925207 0.3117 BFGS: 9858 16:42:07 -61.923813 1.3404 BFGS: 9859 16:42:07 -61.925554 1.0987 BFGS: 9860 16:42:07 -61.923580 0.5570 BFGS: 9861 16:42:07 -61.925155 0.3145 BFGS: 9862 16:42:07 -61.923876 1.3368 BFGS: 9863 16:42:07 -61.925598 0.5660 BFGS: 9864 16:42:07 -61.923512 0.5619 BFGS: 9865 16:42:07 -61.925224 0.3109 BFGS: 9866 16:42:07 -61.923787 1.3420 BFGS: 9867 16:42:07 -61.925536 1.1161 BFGS: 9868 16:42:07 -61.923596 0.5551 BFGS: 9869 16:42:07 -61.925163 0.3142 BFGS: 9870 16:42:07 -61.923861 1.3377 BFGS: 9871 16:42:07 -61.925590 1.0173 BFGS: 9872 16:42:07 -61.923534 0.5601 BFGS: 9873 16:42:07 -61.925191 0.3126 BFGS: 9874 16:42:07 -61.923831 1.3395 BFGS: 9875 16:42:07 -61.925568 1.0811 BFGS: 9876 16:42:07 -61.923566 0.5576 BFGS: 9877 16:42:07 -61.925207 0.3117 BFGS: 9878 16:42:07 -61.923814 1.3404 BFGS: 9879 16:42:07 -61.925554 1.0981 BFGS: 9880 16:42:07 -61.923582 0.5559 BFGS: 9881 16:42:07 -61.925156 0.3144 BFGS: 9882 16:42:07 -61.923877 1.3368 BFGS: 9883 16:42:07 -61.925598 0.5656 BFGS: 9884 16:42:07 -61.923514 0.5610 BFGS: 9885 16:42:07 -61.925225 0.3108 BFGS: 9886 16:42:07 -61.923787 1.3420 BFGS: 9887 16:42:07 -61.925536 1.1159 BFGS: 9888 16:42:07 -61.923598 0.5540 BFGS: 9889 16:42:07 -61.925164 0.3141 BFGS: 9890 16:42:07 -61.923861 1.3378 BFGS: 9891 16:42:07 -61.925590 1.0147 BFGS: 9892 16:42:07 -61.923536 0.5592 BFGS: 9893 16:42:07 -61.925191 0.3126 BFGS: 9894 16:42:07 -61.923831 1.3395 BFGS: 9895 16:42:08 -61.925568 1.0805 BFGS: 9896 16:42:08 -61.923568 0.5566 BFGS: 9897 16:42:08 -61.925208 0.3116 BFGS: 9898 16:42:08 -61.923815 1.3405 BFGS: 9899 16:42:08 -61.925554 1.0976 BFGS: 9900 16:42:08 -61.923584 0.5548 BFGS: 9901 16:42:08 -61.925156 0.3143 BFGS: 9902 16:42:08 -61.923877 1.3368 BFGS: 9903 16:42:08 -61.925598 0.5651 BFGS: 9904 16:42:08 -61.923516 0.5601 BFGS: 9905 16:42:08 -61.925226 0.3107 BFGS: 9906 16:42:08 -61.923788 1.3421 BFGS: 9907 16:42:08 -61.925535 1.1156 BFGS: 9908 16:42:08 -61.923600 0.5528 BFGS: 9909 16:42:08 -61.925165 0.3140 BFGS: 9910 16:42:08 -61.923862 1.3378 BFGS: 9911 16:42:08 -61.925589 1.0117 BFGS: 9912 16:42:08 -61.923543 0.5578 BFGS: 9913 16:42:08 -61.925218 0.3112 BFGS: 9914 16:42:08 -61.923805 1.3412 BFGS: 9915 16:42:08 -61.925545 1.1058 BFGS: 9916 16:42:08 -61.923592 0.5532 BFGS: 9917 16:42:08 -61.925160 0.3142 BFGS: 9918 16:42:08 -61.923871 1.3373 BFGS: 9919 16:42:08 -61.925594 0.5674 BFGS: 9920 16:42:08 -61.923519 0.5592 BFGS: 9921 16:42:08 -61.925227 0.3107 BFGS: 9922 16:42:08 -61.923784 1.3424 BFGS: 9923 16:42:08 -61.925533 1.1171 BFGS: 9924 16:42:08 -61.923600 0.5519 BFGS: 9925 16:42:08 -61.925165 0.3140 BFGS: 9926 16:42:08 -61.923858 1.3381 BFGS: 9927 16:42:08 -61.925588 1.0202 BFGS: 9928 16:42:08 -61.923537 0.5576 BFGS: 9929 16:42:08 -61.925192 0.3125 BFGS: 9930 16:42:08 -61.923829 1.3398 BFGS: 9931 16:42:08 -61.925566 1.0814 BFGS: 9932 16:42:08 -61.923569 0.5549 BFGS: 9933 16:42:08 -61.925209 0.3115 BFGS: 9934 16:42:08 -61.923813 1.3407 BFGS: 9935 16:42:08 -61.925553 1.0980 BFGS: 9936 16:42:08 -61.923584 0.5531 BFGS: 9937 16:42:08 -61.925157 0.3143 BFGS: 9938 16:42:09 -61.923876 1.3370 BFGS: 9939 16:42:09 -61.925597 0.5647 BFGS: 9940 16:42:09 -61.923517 0.5587 BFGS: 9941 16:42:09 -61.925226 0.3106 BFGS: 9942 16:42:09 -61.923787 1.3423 BFGS: 9943 16:42:09 -61.925534 1.1156 BFGS: 9944 16:42:09 -61.923600 0.5509 BFGS: 9945 16:42:09 -61.925165 0.3139 BFGS: 9946 16:42:09 -61.923860 1.3380 BFGS: 9947 16:42:09 -61.925588 1.0096 BFGS: 9948 16:42:09 -61.923543 0.5562 BFGS: 9949 16:42:09 -61.925218 0.3111 BFGS: 9950 16:42:09 -61.923804 1.3413 BFGS: 9951 16:42:09 -61.925545 1.1052 BFGS: 9952 16:42:09 -61.923592 0.5513 BFGS: 9953 16:42:09 -61.925161 0.3141 BFGS: 9954 16:42:09 -61.923871 1.3374 BFGS: 9955 16:42:09 -61.925593 0.5667 BFGS: 9956 16:42:09 -61.923520 0.5577 BFGS: 9957 16:42:09 -61.925228 0.3105 BFGS: 9958 16:42:09 -61.923784 1.3425 BFGS: 9959 16:42:09 -61.925533 1.1168 BFGS: 9960 16:42:09 -61.923601 0.5499 BFGS: 9961 16:42:09 -61.925166 0.3139 BFGS: 9962 16:42:09 -61.923858 1.3382 BFGS: 9963 16:42:09 -61.925587 1.0167 BFGS: 9964 16:42:09 -61.923538 0.5559 BFGS: 9965 16:42:09 -61.925193 0.3123 BFGS: 9966 16:42:09 -61.923829 1.3399 BFGS: 9967 16:42:09 -61.925566 1.0806 BFGS: 9968 16:42:09 -61.923570 0.5530 BFGS: 9969 16:42:09 -61.925210 0.3114 BFGS: 9970 16:42:09 -61.923813 1.3408 BFGS: 9971 16:42:09 -61.925552 1.0974 BFGS: 9972 16:42:09 -61.923586 0.5511 BFGS: 9973 16:42:09 -61.925158 0.3141 BFGS: 9974 16:42:09 -61.923875 1.3371 BFGS: 9975 16:42:09 -61.925596 0.5639 BFGS: 9976 16:42:09 -61.923518 0.5571 BFGS: 9977 16:42:09 -61.925227 0.3105 BFGS: 9978 16:42:09 -61.923787 1.3423 BFGS: 9979 16:42:09 -61.925534 1.1152 BFGS: 9980 16:42:09 -61.923602 0.5487 BFGS: 9981 16:42:10 -61.925166 0.3137 BFGS: 9982 16:42:10 -61.923860 1.3380 BFGS: 9983 16:42:10 -61.925588 1.0038 BFGS: 9984 16:42:10 -61.923545 0.5544 BFGS: 9985 16:42:10 -61.925219 0.3109 BFGS: 9986 16:42:10 -61.923804 1.3414 BFGS: 9987 16:42:10 -61.925544 1.1051 BFGS: 9988 16:42:10 -61.923594 0.5491 BFGS: 9989 16:42:10 -61.925162 0.3139 BFGS: 9990 16:42:10 -61.923870 1.3375 BFGS: 9991 16:42:10 -61.925593 0.5660 BFGS: 9992 16:42:10 -61.923522 0.5559 BFGS: 9993 16:42:10 -61.925228 0.3104 BFGS: 9994 16:42:10 -61.923784 1.3426 BFGS: 9995 16:42:10 -61.925532 1.1164 BFGS: 9996 16:42:10 -61.923602 0.5475 BFGS: 9997 16:42:10 -61.925167 0.3137 BFGS: 9998 16:42:10 -61.923858 1.3383 BFGS: 9999 16:42:10 -61.925586 1.0118 BFGS: 10000 16:42:10 -61.923540 0.5541 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.7323171605058003 eV/Angstrom Maximum stress component: 0.012212896129728937 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P'] basis = [[6.57121752e-01 1.21803805e-01 7.37235740e-04] [3.42878248e-01 8.78196195e-01 9.99262764e-01] [4.86255768e-01 5.52595474e-01 2.02998460e-01] [5.13744232e-01 4.47404526e-01 7.97001540e-01] [2.54289339e-01 1.80562167e-01 9.70612258e-01] [7.45710661e-01 8.19437833e-01 2.93877423e-02] [6.72073501e-01 7.95113395e-01 2.64995581e-01] [3.27926499e-01 2.04886605e-01 7.35004419e-01] [2.74639728e-02 8.98391529e-01 3.70241312e-01] [9.72536027e-01 1.01608471e-01 6.29758688e-01] [8.55899978e-01 3.63096470e-01 7.18027476e-02] [1.44100022e-01 6.36903530e-01 9.28197252e-01] [7.87455607e-01 5.17606743e-01 3.03783415e-01] [2.12544393e-01 4.82393257e-01 6.96216585e-01] [5.85888972e-01 2.78522483e-01 2.43216457e-01] [4.14111028e-01 7.21477517e-01 7.56783543e-01] [1.82319839e-01 1.55243123e-01 3.28124609e-01] [8.17680161e-01 8.44756877e-01 6.71875391e-01] [9.44846641e-01 5.24718908e-02 1.06073600e-01] [5.51533588e-02 9.47528109e-01 8.93926400e-01] [1.82328374e-01 6.99361703e-01 4.16500423e-01] [8.17671626e-01 3.00638297e-01 5.83499577e-01] [3.28352354e-01 9.69315653e-01 3.73759654e-01] [6.71647646e-01 3.06843471e-02 6.26240346e-01]] cellpar = Cell([[9.718823631037838, -2.074740650113406, -0.34612612605257614], [0.35419827172541735, 5.880559177987517, -1.1841657255543443], [0.03839282852555225, -0.8390187763273421, 8.983471516670411]]) forces = [[-0.17102427 0.0503534 0.12005544] [ 0.17102427 -0.0503534 -0.12005544] [ 0.26442693 -0.14406911 0.06397034] [-0.26442693 0.14406911 -0.06397034] [-0.24500793 -0.03538001 -0.19630181] [ 0.24500793 0.03538001 0.19630181] [-0.0134449 -0.24515371 -0.08019434] [ 0.0134449 0.24515371 0.08019434] [ 0.16650122 -0.00640115 0.07215321] [-0.16650122 0.00640115 -0.07215321] [ 0.06224435 -0.17536999 0.23535351] [-0.06224435 0.17536999 -0.23535351] [-0.26882945 0.10035062 -0.29060552] [ 0.26882945 -0.10035062 0.29060552] [ 0.17448403 0.18044081 -0.1811872 ] [-0.17448403 -0.18044081 0.1811872 ] [ 0.03356673 -0.24512878 0.07433234] [-0.03356673 0.24512878 -0.07433234] [-0.03547777 -0.04818488 -0.73231716] [ 0.03547777 0.04818488 0.73231716] [ 0.04200844 0.21740902 -0.14837615] [-0.04200844 -0.21740902 0.14837615] [-0.34345127 0.11945347 0.03293312] [ 0.34345127 -0.11945347 -0.03293312]] stress = [ 1.22128961e-02 9.33984130e-03 6.52228138e-03 -9.06309488e-04 -6.22477848e-04 1.08644922e-05] energy per atom = -2.580147496283089 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0