element(s): ['C'] AFLOW prototype label: A_cP20_221_gj Parameter names: ['a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.215', '0.26228631', '0.15146094'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.26228631 0.26228631 0.26228631] [0.5 0.15146094 0.15146094]] spacegroup = 221 cell = [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]] ========================================= Step Time Energy fmax BFGS: 0 10:57:21 2349.546568 192.430484 BFGS: 1 10:57:22 2318.845811 189.061812 BFGS: 2 10:57:22 2291.318800 186.103373 BFGS: 3 10:57:22 2262.701965 183.013303 BFGS: 4 10:57:22 2233.499919 179.861549 BFGS: 5 10:57:22 2205.956534 176.909127 BFGS: 6 10:57:22 2179.322556 174.076897 BFGS: 7 10:57:23 2153.187190 171.306445 BFGS: 8 10:57:23 2127.472514 168.588409 BFGS: 9 10:57:23 2102.158262 165.925413 BFGS: 10 10:57:23 2077.234446 163.315070 BFGS: 11 10:57:23 2052.693245 160.752012 BFGS: 12 10:57:23 2028.526496 158.238652 BFGS: 13 10:57:23 2004.727170 155.771277 BFGS: 14 10:57:24 1981.288075 153.347912 BFGS: 15 10:57:24 1958.202114 150.972248 BFGS: 16 10:57:24 1935.462471 148.642647 BFGS: 17 10:57:24 1913.062697 146.354127 BFGS: 18 10:57:24 1890.995945 144.105690 BFGS: 19 10:57:24 1869.255952 141.896414 BFGS: 20 10:57:24 1847.836694 139.725414 BFGS: 21 10:57:24 1826.732269 137.593938 BFGS: 22 10:57:24 1805.935668 135.506363 BFGS: 23 10:57:25 1785.439791 133.454290 BFGS: 24 10:57:25 1765.240172 131.437032 BFGS: 25 10:57:25 1745.331755 129.453846 BFGS: 26 10:57:25 1725.709379 127.503982 BFGS: 27 10:57:25 1706.367929 125.586705 BFGS: 28 10:57:25 1687.302373 123.701294 BFGS: 29 10:57:25 1668.507554 121.853927 BFGS: 30 10:57:25 1649.978104 120.047236 BFGS: 31 10:57:25 1631.710136 118.270529 BFGS: 32 10:57:26 1613.697425 116.523786 BFGS: 33 10:57:26 1595.934827 114.806804 BFGS: 34 10:57:26 1578.417843 113.118674 BFGS: 35 10:57:26 1561.141835 111.461497 BFGS: 36 10:57:26 1544.104067 109.831168 BFGS: 37 10:57:26 1527.298929 108.226951 BFGS: 38 10:57:26 1510.721701 106.648216 BFGS: 39 10:57:26 1494.368091 105.094383 BFGS: 40 10:57:26 1478.234031 103.564900 BFGS: 41 10:57:27 1462.315591 102.059236 BFGS: 42 10:57:27 1446.608941 100.576872 BFGS: 43 10:57:27 1431.110332 99.117305 BFGS: 44 10:57:27 1415.815833 97.685126 BFGS: 45 10:57:27 1400.720487 96.276517 BFGS: 46 10:57:27 1385.820751 94.889116 BFGS: 47 10:57:27 1371.113413 93.522495 BFGS: 48 10:57:27 1356.595123 92.178436 BFGS: 49 10:57:27 1342.262827 90.856213 BFGS: 50 10:57:28 1328.113457 89.554984 BFGS: 51 10:57:28 1314.143004 88.274972 BFGS: 52 10:57:28 1300.348008 87.013604 BFGS: 53 10:57:28 1286.725216 85.770466 BFGS: 54 10:57:28 1273.270470 84.561179 BFGS: 55 10:57:28 1259.980670 83.375409 BFGS: 56 10:57:28 1246.852858 82.206803 BFGS: 57 10:57:28 1233.883281 81.058241 BFGS: 58 10:57:28 1221.070296 79.927353 BFGS: 59 10:57:29 1208.410687 78.812585 BFGS: 60 10:57:29 1195.900691 77.713494 BFGS: 61 10:57:29 1183.536664 76.635168 BFGS: 62 10:57:29 1171.315527 75.573347 BFGS: 63 10:57:29 1159.234382 74.526117 BFGS: 64 10:57:29 1147.290299 73.493127 BFGS: 65 10:57:29 1135.480492 72.474049 BFGS: 66 10:57:30 1123.801951 71.473997 BFGS: 67 10:57:30 1112.251405 70.487908 BFGS: 68 10:57:30 1100.826189 69.515869 BFGS: 69 10:57:30 1089.522995 68.557522 BFGS: 70 10:57:30 1078.338927 67.611354 BFGS: 71 10:57:30 1067.271886 66.677116 BFGS: 72 10:57:30 1056.319667 65.754552 BFGS: 73 10:57:30 1045.479986 64.843399 BFGS: 74 10:57:31 1034.750509 63.943392 BFGS: 75 10:57:31 1024.128858 63.054265 BFGS: 76 10:57:31 1013.612622 62.175749 BFGS: 77 10:57:31 1003.198825 61.314383 BFGS: 78 10:57:31 992.886086 60.463705 BFGS: 79 10:57:31 982.671747 59.622969 BFGS: 80 10:57:31 972.553033 58.791883 BFGS: 81 10:57:31 962.527174 57.970156 BFGS: 82 10:57:32 952.591384 57.157500 BFGS: 83 10:57:32 942.742768 56.356201 BFGS: 84 10:57:32 932.977125 55.564669 BFGS: 85 10:57:32 923.291141 54.781112 BFGS: 86 10:57:32 913.682093 54.005257 BFGS: 87 10:57:32 904.147079 53.236819 BFGS: 88 10:57:32 894.683010 52.475494 BFGS: 89 10:57:32 885.286389 51.725755 BFGS: 90 10:57:33 875.954296 50.990716 BFGS: 91 10:57:33 866.688728 50.262582 BFGS: 92 10:57:33 857.484423 49.540862 BFGS: 93 10:57:33 848.336048 48.826988 BFGS: 94 10:57:33 839.238192 48.124945 BFGS: 95 10:57:33 830.188304 47.428242 BFGS: 96 10:57:33 821.179942 46.736307 BFGS: 97 10:57:33 812.206396 46.048550 BFGS: 98 10:57:33 803.260583 45.364356 BFGS: 99 10:57:34 794.334937 44.683071 BFGS: 100 10:57:34 785.421296 44.003997 BFGS: 101 10:57:34 776.510793 43.326378 BFGS: 102 10:57:34 767.593737 42.649393 BFGS: 103 10:57:34 758.659386 41.974200 BFGS: 104 10:57:34 749.696173 41.298102 BFGS: 105 10:57:34 740.691199 40.620330 BFGS: 106 10:57:34 731.630020 39.940606 BFGS: 107 10:57:35 722.497263 39.256093 BFGS: 108 10:57:35 713.276301 38.565380 BFGS: 109 10:57:35 703.949681 37.866967 BFGS: 110 10:57:35 694.499967 37.159317 BFGS: 111 10:57:35 684.911544 36.440977 BFGS: 112 10:57:35 675.174227 35.710832 BFGS: 113 10:57:35 665.287135 34.983706 BFGS: 114 10:57:35 655.275134 34.248003 BFGS: 115 10:57:36 645.208103 33.507637 BFGS: 116 10:57:36 635.232730 32.773081 BFGS: 117 10:57:36 625.605498 32.065530 BFGS: 118 10:57:36 616.689413 31.411102 BFGS: 119 10:57:36 608.848165 30.838711 BFGS: 120 10:57:36 602.228243 30.359340 BFGS: 121 10:57:36 596.655611 29.978745 BFGS: 122 10:57:36 591.834505 29.663874 BFGS: 123 10:57:37 587.544896 29.403800 BFGS: 124 10:57:37 583.639538 29.175935 BFGS: 125 10:57:37 580.016901 28.969387 BFGS: 126 10:57:37 576.603871 28.777843 BFGS: 127 10:57:37 573.345940 28.596992 BFGS: 128 10:57:37 570.201118 28.423438 BFGS: 129 10:57:37 567.136391 28.254431 BFGS: 130 10:57:37 564.125678 28.087714 BFGS: 131 10:57:38 561.148685 27.921446 BFGS: 132 10:57:38 558.190236 27.754161 BFGS: 133 10:57:38 555.239839 27.584752 BFGS: 134 10:57:38 552.291316 27.412452 BFGS: 135 10:57:38 549.342424 27.236825 BFGS: 136 10:57:38 546.394419 27.057736 BFGS: 137 10:57:38 543.451564 27.281728 BFGS: 138 10:57:38 540.520572 27.378975 BFGS: 139 10:57:39 537.608609 27.333749 BFGS: 140 10:57:39 534.727306 27.161073 BFGS: 141 10:57:39 531.886664 26.875200 BFGS: 142 10:57:39 529.096451 26.491396 BFGS: 143 10:57:39 526.366577 26.021404 BFGS: 144 10:57:39 523.705551 25.629718 BFGS: 145 10:57:39 521.120941 25.460545 BFGS: 146 10:57:39 518.618699 25.294391 BFGS: 147 10:57:40 516.203397 25.131739 BFGS: 148 10:57:40 513.878240 24.972974 BFGS: 149 10:57:40 511.645134 24.818384 BFGS: 150 10:57:40 509.504807 24.668170 BFGS: 151 10:57:40 507.456945 24.522455 BFGS: 152 10:57:40 505.500352 24.381289 BFGS: 153 10:57:40 503.633111 24.244662 BFGS: 154 10:57:40 501.852738 24.112518 BFGS: 155 10:57:41 500.156337 23.984758 BFGS: 156 10:57:41 498.540730 23.861258 BFGS: 157 10:57:41 497.002583 23.741868 BFGS: 158 10:57:41 495.538508 23.626428 BFGS: 159 10:57:41 494.145143 23.514768 BFGS: 160 10:57:41 492.819223 23.406715 BFGS: 161 10:57:41 491.557628 23.710753 BFGS: 162 10:57:41 490.357413 24.605686 BFGS: 163 10:57:41 489.215835 25.498009 BFGS: 164 10:57:41 488.130332 26.387626 BFGS: 165 10:57:42 487.098057 27.269328 BFGS: 166 10:57:42 486.116062 28.137566 BFGS: 167 10:57:42 485.183671 29.004344 BFGS: 168 10:57:42 484.298887 29.869735 BFGS: 169 10:57:42 483.459948 30.733866 BFGS: 170 10:57:42 482.665304 31.596906 BFGS: 171 10:57:42 481.913595 32.459059 BFGS: 172 10:57:42 481.203630 33.320558 BFGS: 173 10:57:42 480.534372 34.181656 BFGS: 174 10:57:42 479.904923 35.042627 BFGS: 175 10:57:43 479.314508 35.903757 BFGS: 176 10:57:43 478.762472 36.765343 BFGS: 177 10:57:43 478.248262 37.627692 BFGS: 178 10:57:43 477.771426 38.491120 BFGS: 179 10:57:43 477.331603 39.355945 BFGS: 180 10:57:43 476.928521 40.222494 BFGS: 181 10:57:43 476.561756 41.091335 BFGS: 182 10:57:43 476.231094 41.962817 BFGS: 183 10:57:43 475.936575 42.837222 BFGS: 184 10:57:44 475.678146 43.714844 BFGS: 185 10:57:44 475.455824 44.595965 BFGS: 186 10:57:44 475.269631 45.480805 BFGS: 187 10:57:44 475.119394 46.369408 BFGS: 188 10:57:44 475.004020 47.261198 BFGS: 189 10:57:44 474.928550 47.952244 BFGS: 190 10:57:44 474.867057 48.412121 BFGS: 191 10:57:44 474.772740 48.712094 BFGS: 192 10:57:44 474.623793 48.576385 BFGS: 193 10:57:44 474.490724 47.762011 BFGS: 194 10:57:45 474.429014 46.872399 BFGS: 195 10:57:45 474.407840 46.402287 BFGS: 196 10:57:45 474.398831 46.176490 BFGS: 197 10:57:45 474.395280 46.030604 BFGS: 198 10:57:45 474.394062 45.984153 BFGS: 199 10:57:45 474.392446 45.903897 BFGS: 200 10:57:45 474.391168 45.868491 BFGS: 201 10:57:45 474.384649 45.753057 BFGS: 202 10:57:45 474.370676 45.601024 BFGS: 203 10:57:45 474.330882 45.328945 BFGS: 204 10:57:46 474.229594 44.893533 BFGS: 205 10:57:46 473.960183 44.156230 BFGS: 206 10:57:46 473.254081 42.910470 BFGS: 207 10:57:46 471.675258 41.157353 BFGS: 208 10:57:46 467.408837 37.921362 BFGS: 209 10:57:46 458.089343 33.035216 BFGS: 210 10:57:46 450.791935 30.540625 BFGS: 211 10:57:46 445.667867 29.281726 BFGS: 212 10:57:46 441.372900 28.456471 BFGS: 213 10:57:47 437.529764 27.847405 BFGS: 214 10:57:47 433.957670 27.360973 BFGS: 215 10:57:47 430.564772 26.951402 BFGS: 216 10:57:47 427.298662 26.593138 BFGS: 217 10:57:47 424.126981 26.270608 BFGS: 218 10:57:47 421.028612 25.973747 BFGS: 219 10:57:47 417.989239 25.695785 BFGS: 220 10:57:47 414.998878 25.432041 BFGS: 221 10:57:47 412.050424 25.179207 BFGS: 222 10:57:47 409.138734 24.934914 BFGS: 223 10:57:48 406.260036 24.697444 BFGS: 224 10:57:48 403.411526 24.465538 BFGS: 225 10:57:48 400.591099 24.238268 BFGS: 226 10:57:48 397.797152 24.014940 BFGS: 227 10:57:48 395.028449 23.795037 BFGS: 228 10:57:48 392.284004 23.579096 BFGS: 229 10:57:48 389.563757 23.368804 BFGS: 230 10:57:48 386.869372 23.161983 BFGS: 231 10:57:48 384.198046 22.957910 BFGS: 232 10:57:49 381.548644 22.756255 BFGS: 233 10:57:49 378.920544 22.556822 BFGS: 234 10:57:49 376.313311 22.359475 BFGS: 235 10:57:49 373.726597 22.164109 BFGS: 236 10:57:49 371.160107 21.970641 BFGS: 237 10:57:49 368.613581 21.779005 BFGS: 238 10:57:49 366.086788 21.589144 BFGS: 239 10:57:49 363.579513 21.401012 BFGS: 240 10:57:49 361.091561 21.214568 BFGS: 241 10:57:49 358.622670 21.030412 BFGS: 242 10:57:50 356.176797 20.849613 BFGS: 243 10:57:50 353.755253 20.671965 BFGS: 244 10:57:50 351.354228 20.496607 BFGS: 245 10:57:50 348.972244 20.323189 BFGS: 246 10:57:50 346.608622 20.151540 BFGS: 247 10:57:50 344.262974 19.981560 BFGS: 248 10:57:50 341.935025 19.813181 BFGS: 249 10:57:50 339.624554 19.646349 BFGS: 250 10:57:50 337.331368 19.481019 BFGS: 251 10:57:50 335.055217 19.315611 BFGS: 252 10:57:51 332.797231 19.151729 BFGS: 253 10:57:51 330.557550 18.990073 BFGS: 254 10:57:51 328.335700 18.830459 BFGS: 255 10:57:51 326.131261 18.672735 BFGS: 256 10:57:51 323.943870 18.516773 BFGS: 257 10:57:51 321.773211 18.362468 BFGS: 258 10:57:51 319.619008 18.209734 BFGS: 259 10:57:51 317.481016 18.058498 BFGS: 260 10:57:51 315.359017 17.908700 BFGS: 261 10:57:51 313.252815 17.760288 BFGS: 262 10:57:52 311.162231 17.613217 BFGS: 263 10:57:52 309.087100 17.467449 BFGS: 264 10:57:52 307.027268 17.322952 BFGS: 265 10:57:52 304.982593 17.179695 BFGS: 266 10:57:52 302.952939 17.037653 BFGS: 267 10:57:52 300.938178 16.896803 BFGS: 268 10:57:52 298.938187 16.757123 BFGS: 269 10:57:52 296.952848 16.618594 BFGS: 270 10:57:52 294.982048 16.481197 BFGS: 271 10:57:53 293.025675 16.344917 BFGS: 272 10:57:53 291.083624 16.209738 BFGS: 273 10:57:53 289.155789 16.075644 BFGS: 274 10:57:53 287.242070 15.942622 BFGS: 275 10:57:53 285.342362 15.810894 BFGS: 276 10:57:53 283.456813 15.682349 BFGS: 277 10:57:53 281.589679 15.556004 BFGS: 278 10:57:53 279.738254 15.431287 BFGS: 279 10:57:53 277.901203 15.307913 BFGS: 280 10:57:53 276.077826 15.185731 BFGS: 281 10:57:54 274.267680 15.066359 BFGS: 282 10:57:54 272.473130 14.949804 BFGS: 283 10:57:54 270.694457 14.834769 BFGS: 284 10:57:54 268.929542 14.720843 BFGS: 285 10:57:54 267.177331 14.607831 BFGS: 286 10:57:54 265.437291 14.495644 BFGS: 287 10:57:54 263.709139 14.384245 BFGS: 288 10:57:54 261.992711 14.273618 BFGS: 289 10:57:54 260.287906 14.163757 BFGS: 290 10:57:54 258.594645 14.054662 BFGS: 291 10:57:55 256.912866 13.946333 BFGS: 292 10:57:55 255.242508 13.838772 BFGS: 293 10:57:55 253.583514 13.731976 BFGS: 294 10:57:55 251.935826 13.625946 BFGS: 295 10:57:55 250.299386 13.520680 BFGS: 296 10:57:55 248.674134 13.416174 BFGS: 297 10:57:55 247.060009 13.312426 BFGS: 298 10:57:55 245.456952 13.209432 BFGS: 299 10:57:55 243.864900 13.107187 BFGS: 300 10:57:56 242.283793 13.005686 BFGS: 301 10:57:56 240.713567 12.904924 BFGS: 302 10:57:56 239.154161 12.804896 BFGS: 303 10:57:56 237.605513 12.705597 BFGS: 304 10:57:56 236.067562 12.607019 BFGS: 305 10:57:56 234.540244 12.509159 BFGS: 306 10:57:56 233.023500 12.412008 BFGS: 307 10:57:56 231.517267 12.315562 BFGS: 308 10:57:56 230.021484 12.219813 BFGS: 309 10:57:56 228.536092 12.124756 BFGS: 310 10:57:57 227.061030 12.030385 BFGS: 311 10:57:57 225.596239 11.936692 BFGS: 312 10:57:57 224.141659 11.843673 BFGS: 313 10:57:57 222.697231 11.751319 BFGS: 314 10:57:57 221.262898 11.659626 BFGS: 315 10:57:57 219.838602 11.568586 BFGS: 316 10:57:57 218.424285 11.478194 BFGS: 317 10:57:57 217.019876 11.388443 BFGS: 318 10:57:57 215.625916 11.299486 BFGS: 319 10:57:58 214.242724 11.211411 BFGS: 320 10:57:58 212.869836 11.124123 BFGS: 321 10:57:58 211.506938 11.036773 BFGS: 322 10:57:58 210.155292 10.948494 BFGS: 323 10:57:58 208.818486 10.862276 BFGS: 324 10:57:58 207.494474 10.777671 BFGS: 325 10:57:58 206.181978 10.694391 BFGS: 326 10:57:58 204.880175 10.612247 BFGS: 327 10:57:59 203.588520 10.531110 BFGS: 328 10:57:59 202.306632 10.450886 BFGS: 329 10:57:59 201.034238 10.371509 BFGS: 330 10:57:59 199.771131 10.292923 BFGS: 331 10:57:59 198.517145 10.215086 BFGS: 332 10:57:59 197.272144 10.137963 BFGS: 333 10:57:59 196.036011 10.061525 BFGS: 334 10:57:59 194.808475 9.983013 BFGS: 335 10:58:00 193.590936 9.905513 BFGS: 336 10:58:00 192.383244 9.829292 BFGS: 337 10:58:00 191.185094 9.754051 BFGS: 338 10:58:00 189.996399 9.679103 BFGS: 339 10:58:00 188.817661 9.605410 BFGS: 340 10:58:00 187.648304 9.533339 BFGS: 341 10:58:00 186.491186 9.463258 BFGS: 342 10:58:01 185.346275 9.394935 BFGS: 343 10:58:01 184.212000 9.328029 BFGS: 344 10:58:01 183.087313 9.262309 BFGS: 345 10:58:01 181.971498 9.197610 BFGS: 346 10:58:01 180.864051 9.133815 BFGS: 347 10:58:01 179.764609 9.070837 BFGS: 348 10:58:01 178.672901 9.008609 BFGS: 349 10:58:02 177.588719 8.947079 BFGS: 350 10:58:02 176.511894 8.886202 BFGS: 351 10:58:02 175.442290 8.825944 BFGS: 352 10:58:02 174.379789 8.766274 BFGS: 353 10:58:02 173.324289 8.707165 BFGS: 354 10:58:02 172.275700 8.648595 BFGS: 355 10:58:02 171.233940 8.590541 BFGS: 356 10:58:03 170.198933 8.532987 BFGS: 357 10:58:03 169.170611 8.475914 BFGS: 358 10:58:03 168.148906 8.419308 BFGS: 359 10:58:03 167.133759 8.363154 BFGS: 360 10:58:03 166.125111 8.307439 BFGS: 361 10:58:03 165.122906 8.252151 BFGS: 362 10:58:03 164.127092 8.197280 BFGS: 363 10:58:03 163.137619 8.142814 BFGS: 364 10:58:03 162.154437 8.088745 BFGS: 365 10:58:03 161.177500 8.035063 BFGS: 366 10:58:04 160.206764 7.981759 BFGS: 367 10:58:04 159.242184 7.928827 BFGS: 368 10:58:04 158.283718 7.876259 BFGS: 369 10:58:04 157.331327 7.824047 BFGS: 370 10:58:04 156.384968 7.772185 BFGS: 371 10:58:04 155.444605 7.720667 BFGS: 372 10:58:04 154.510200 7.669488 BFGS: 373 10:58:04 153.581715 7.618641 BFGS: 374 10:58:04 152.659115 7.568121 BFGS: 375 10:58:05 151.742365 7.517923 BFGS: 376 10:58:05 150.831374 7.468043 BFGS: 377 10:58:05 149.927872 7.418869 BFGS: 378 10:58:05 149.031731 7.370381 BFGS: 379 10:58:05 148.142376 7.322464 BFGS: 380 10:58:05 147.259396 7.275036 BFGS: 381 10:58:05 146.382495 7.228038 BFGS: 382 10:58:05 145.511456 7.181429 BFGS: 383 10:58:06 144.646117 7.135177 BFGS: 384 10:58:06 143.786354 7.089260 BFGS: 385 10:58:06 142.932073 7.043658 BFGS: 386 10:58:06 142.083196 6.998360 BFGS: 387 10:58:06 141.239661 6.953354 BFGS: 388 10:58:06 140.401417 6.908631 BFGS: 389 10:58:06 139.568416 6.864186 BFGS: 390 10:58:06 138.740620 6.820011 BFGS: 391 10:58:06 137.917991 6.776102 BFGS: 392 10:58:06 137.100496 6.732455 BFGS: 393 10:58:07 136.288103 6.689064 BFGS: 394 10:58:07 135.480783 6.645927 BFGS: 395 10:58:07 134.678506 6.603040 BFGS: 396 10:58:07 133.881245 6.560400 BFGS: 397 10:58:07 133.088973 6.518003 BFGS: 398 10:58:07 132.301663 6.475848 BFGS: 399 10:58:07 131.519289 6.433931 BFGS: 400 10:58:07 130.741827 6.392249 BFGS: 401 10:58:08 129.969251 6.350800 BFGS: 402 10:58:08 129.201537 6.309582 BFGS: 403 10:58:08 128.438660 6.268592 BFGS: 404 10:58:08 127.680596 6.227828 BFGS: 405 10:58:08 126.927321 6.187288 BFGS: 406 10:58:08 126.178813 6.146969 BFGS: 407 10:58:08 125.435047 6.106869 BFGS: 408 10:58:08 124.696001 6.066987 BFGS: 409 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0.822413 BFGS: 776 10:58:55 16.126323 0.818630 BFGS: 777 10:58:55 16.029614 0.814856 BFGS: 778 10:58:55 15.933357 0.811091 BFGS: 779 10:58:56 15.837553 0.807334 BFGS: 780 10:58:56 15.742199 0.803587 BFGS: 781 10:58:56 15.647294 0.799849 BFGS: 782 10:58:56 15.552837 0.796119 BFGS: 783 10:58:56 15.458826 0.792399 BFGS: 784 10:58:56 15.365262 0.788687 BFGS: 785 10:58:56 15.272141 0.784985 BFGS: 786 10:58:56 15.179463 0.781291 BFGS: 787 10:58:56 15.087226 0.777607 BFGS: 788 10:58:56 14.995430 0.773931 BFGS: 789 10:58:57 14.904072 0.770264 BFGS: 790 10:58:57 14.813152 0.766606 BFGS: 791 10:58:57 14.722669 0.762957 BFGS: 792 10:58:57 14.632621 0.759316 BFGS: 793 10:58:57 14.543006 0.755685 BFGS: 794 10:58:57 14.453824 0.752062 BFGS: 795 10:58:57 14.365074 0.748449 BFGS: 796 10:58:57 14.276753 0.744844 BFGS: 797 10:58:57 14.188862 0.741248 BFGS: 798 10:58:57 14.101398 0.737661 BFGS: 799 10:58:58 14.014360 0.734082 BFGS: 800 10:58:58 13.927748 0.730512 BFGS: 801 10:58:58 13.841559 0.726952 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10:59:01 11.670275 0.634075 BFGS: 829 10:59:01 11.595468 0.630755 BFGS: 830 10:59:01 11.521051 0.627442 BFGS: 831 10:59:01 11.447022 0.624138 BFGS: 832 10:59:01 11.373380 0.620842 BFGS: 833 10:59:01 11.300125 0.617555 BFGS: 834 10:59:01 11.227254 0.614276 BFGS: 835 10:59:01 11.154768 0.611005 BFGS: 836 10:59:01 11.082665 0.607742 BFGS: 837 10:59:01 11.010943 0.604488 BFGS: 838 10:59:02 10.939602 0.601242 BFGS: 839 10:59:02 10.868641 0.598004 BFGS: 840 10:59:02 10.798058 0.594775 BFGS: 841 10:59:02 10.727849 0.590540 BFGS: 842 10:59:02 10.658047 0.586046 BFGS: 843 10:59:02 10.588660 0.581581 BFGS: 844 10:59:02 10.519685 0.577142 BFGS: 845 10:59:02 10.451115 0.572729 BFGS: 846 10:59:02 10.382948 0.568341 BFGS: 847 10:59:02 10.315180 0.563978 BFGS: 848 10:59:03 10.247807 0.559640 BFGS: 849 10:59:03 10.180826 0.555324 BFGS: 850 10:59:03 10.114233 0.551032 BFGS: 851 10:59:03 10.048026 0.546762 BFGS: 852 10:59:03 9.982201 0.542515 BFGS: 853 10:59:03 9.916756 0.538289 BFGS: 854 10:59:03 9.851688 0.534084 BFGS: 855 10:59:03 9.786995 0.529900 BFGS: 856 10:59:03 9.722674 0.525737 BFGS: 857 10:59:04 9.658723 0.521594 BFGS: 858 10:59:04 9.595139 0.517471 BFGS: 859 10:59:04 9.531920 0.513368 BFGS: 860 10:59:04 9.469064 0.509284 BFGS: 861 10:59:04 9.406569 0.505220 BFGS: 862 10:59:04 9.344432 0.501175 BFGS: 863 10:59:04 9.282653 0.497148 BFGS: 864 10:59:04 9.221229 0.493140 BFGS: 865 10:59:04 9.160158 0.489150 BFGS: 866 10:59:04 9.099437 0.485179 BFGS: 867 10:59:05 9.039067 0.481225 BFGS: 868 10:59:05 8.979044 0.477289 BFGS: 869 10:59:05 8.919367 0.473372 BFGS: 870 10:59:05 8.860033 0.469471 BFGS: 871 10:59:05 8.801016 0.465585 BFGS: 872 10:59:05 8.742241 0.461692 BFGS: 873 10:59:05 8.683712 0.457796 BFGS: 874 10:59:05 8.625432 0.453896 BFGS: 875 10:59:05 8.567403 0.449995 BFGS: 876 10:59:05 8.509629 0.446094 BFGS: 877 10:59:06 8.452112 0.442194 BFGS: 878 10:59:06 8.394853 0.438296 BFGS: 879 10:59:06 8.337856 0.434402 BFGS: 880 10:59:06 8.281121 0.430512 BFGS: 881 10:59:06 8.224651 0.426626 BFGS: 882 10:59:06 8.168446 0.422747 BFGS: 883 10:59:06 8.112509 0.418875 BFGS: 884 10:59:06 8.056840 0.415010 BFGS: 885 10:59:06 8.001441 0.411153 BFGS: 886 10:59:07 7.946311 0.407305 BFGS: 887 10:59:07 7.891452 0.403466 BFGS: 888 10:59:07 7.836865 0.399637 BFGS: 889 10:59:07 7.782550 0.395819 BFGS: 890 10:59:07 7.728507 0.392012 BFGS: 891 10:59:07 7.674736 0.388215 BFGS: 892 10:59:07 7.621238 0.384431 BFGS: 893 10:59:07 7.568013 0.380658 BFGS: 894 10:59:07 7.515061 0.376898 BFGS: 895 10:59:07 7.462381 0.373151 BFGS: 896 10:59:08 7.409974 0.369417 BFGS: 897 10:59:08 7.357838 0.365695 BFGS: 898 10:59:08 7.305975 0.361988 BFGS: 899 10:59:08 7.254383 0.358294 BFGS: 900 10:59:08 7.203062 0.354614 BFGS: 901 10:59:08 7.152012 0.350948 BFGS: 902 10:59:08 7.101232 0.347296 BFGS: 903 10:59:08 7.050721 0.343658 BFGS: 904 10:59:08 7.000479 0.340036 BFGS: 905 10:59:08 6.950505 0.336427 BFGS: 906 10:59:09 6.900798 0.332834 BFGS: 907 10:59:09 6.851358 0.329255 BFGS: 908 10:59:09 6.802184 0.325692 BFGS: 909 10:59:09 6.753275 0.322143 BFGS: 910 10:59:09 6.704631 0.318609 BFGS: 911 10:59:09 6.656250 0.315091 BFGS: 912 10:59:09 6.608131 0.311588 BFGS: 913 10:59:09 6.560274 0.308782 BFGS: 914 10:59:09 6.512678 0.307221 BFGS: 915 10:59:09 6.465341 0.305665 BFGS: 916 10:59:10 6.418264 0.304114 BFGS: 917 10:59:10 6.371444 0.302568 BFGS: 918 10:59:10 6.324881 0.301028 BFGS: 919 10:59:10 6.278574 0.299493 BFGS: 920 10:59:10 6.232522 0.297962 BFGS: 921 10:59:10 6.186724 0.296437 BFGS: 922 10:59:10 6.141179 0.294917 BFGS: 923 10:59:10 6.095886 0.293402 BFGS: 924 10:59:10 6.050843 0.291892 BFGS: 925 10:59:11 6.006050 0.290387 BFGS: 926 10:59:11 5.961506 0.288887 BFGS: 927 10:59:11 5.917210 0.287681 BFGS: 928 10:59:11 5.873160 0.287244 BFGS: 929 10:59:11 5.829356 0.286801 BFGS: 930 10:59:11 5.785796 0.286352 BFGS: 931 10:59:11 5.742480 0.285899 BFGS: 932 10:59:11 5.699406 0.285441 BFGS: 933 10:59:11 5.656573 0.284979 BFGS: 934 10:59:11 5.613981 0.284512 BFGS: 935 10:59:12 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4.514661 0.270320 BFGS: 963 10:59:14 4.478580 0.269787 BFGS: 964 10:59:15 4.442709 0.269254 BFGS: 965 10:59:15 4.407046 0.268720 BFGS: 966 10:59:15 4.371590 0.268184 BFGS: 967 10:59:15 4.336341 0.267648 BFGS: 968 10:59:15 4.301297 0.267111 BFGS: 969 10:59:15 4.266458 0.266573 BFGS: 970 10:59:15 4.231822 0.266033 BFGS: 971 10:59:15 4.197388 0.265493 BFGS: 972 10:59:15 4.163157 0.264953 BFGS: 973 10:59:15 4.129126 0.264411 BFGS: 974 10:59:16 4.095294 0.263869 BFGS: 975 10:59:16 4.061662 0.263325 BFGS: 976 10:59:16 4.028227 0.262782 BFGS: 977 10:59:16 3.994990 0.262237 BFGS: 978 10:59:16 3.961948 0.261692 BFGS: 979 10:59:16 3.929101 0.261146 BFGS: 980 10:59:16 3.896449 0.260599 BFGS: 981 10:59:16 3.863990 0.260052 BFGS: 982 10:59:16 3.831724 0.259504 BFGS: 983 10:59:17 3.799648 0.258955 BFGS: 984 10:59:17 3.767764 0.258406 BFGS: 985 10:59:17 3.736069 0.257856 BFGS: 986 10:59:17 3.704563 0.257306 BFGS: 987 10:59:17 3.673245 0.256755 BFGS: 988 10:59:17 3.642115 0.256204 BFGS: 989 10:59:17 3.611170 0.255652 BFGS: 990 10:59:17 3.580411 0.255099 BFGS: 991 10:59:17 3.549836 0.254546 BFGS: 992 10:59:17 3.519445 0.253993 BFGS: 993 10:59:18 3.489236 0.253439 BFGS: 994 10:59:18 3.459210 0.252884 BFGS: 995 10:59:18 3.429365 0.252329 BFGS: 996 10:59:18 3.399700 0.251773 BFGS: 997 10:59:18 3.370214 0.251217 BFGS: 998 10:59:18 3.340907 0.250661 BFGS: 999 10:59:18 3.311778 0.250104 BFGS: 1000 10:59:18 3.282825 0.249546 BFGS: 1001 10:59:18 3.254049 0.248988 BFGS: 1002 10:59:19 3.225448 0.248430 BFGS: 1003 10:59:19 3.197022 0.247871 BFGS: 1004 10:59:19 3.168769 0.247312 BFGS: 1005 10:59:19 3.140689 0.246752 BFGS: 1006 10:59:19 3.112781 0.246192 BFGS: 1007 10:59:19 3.085045 0.245631 BFGS: 1008 10:59:19 3.057479 0.245070 BFGS: 1009 10:59:19 3.030083 0.244508 BFGS: 1010 10:59:19 3.002856 0.243946 BFGS: 1011 10:59:19 2.975797 0.243383 BFGS: 1012 10:59:20 2.948905 0.242820 BFGS: 1013 10:59:20 2.922180 0.242257 BFGS: 1014 10:59:20 2.895621 0.241693 BFGS: 1015 10:59:20 2.869226 0.241129 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0.194575 BFGS: 1095 10:59:28 1.232258 0.193951 BFGS: 1096 10:59:29 1.217056 0.193325 BFGS: 1097 10:59:29 1.201969 0.192697 BFGS: 1098 10:59:29 1.186996 0.192069 BFGS: 1099 10:59:29 1.172138 0.191439 BFGS: 1100 10:59:29 1.157393 0.190808 BFGS: 1101 10:59:29 1.142762 0.190175 BFGS: 1102 10:59:29 1.128244 0.189542 BFGS: 1103 10:59:29 1.113838 0.188906 BFGS: 1104 10:59:29 1.099545 0.188270 BFGS: 1105 10:59:30 1.085362 0.187632 BFGS: 1106 10:59:30 1.071291 0.186992 BFGS: 1107 10:59:30 1.057330 0.186352 BFGS: 1108 10:59:30 1.043480 0.185709 BFGS: 1109 10:59:30 1.029739 0.185065 BFGS: 1110 10:59:30 1.016108 0.184420 BFGS: 1111 10:59:30 1.002585 0.183773 BFGS: 1112 10:59:31 0.989171 0.183125 BFGS: 1113 10:59:31 0.975865 0.182475 BFGS: 1114 10:59:31 0.962667 0.181823 BFGS: 1115 10:59:31 0.949574 0.181170 BFGS: 1116 10:59:31 0.936577 0.180502 BFGS: 1117 10:59:31 0.923674 0.179805 BFGS: 1118 10:59:31 0.910865 0.179080 BFGS: 1119 10:59:31 0.898152 0.178328 BFGS: 1120 10:59:32 0.885532 0.177552 BFGS: 1121 10:59:32 0.873007 0.176751 BFGS: 1122 10:59:32 0.860577 0.175927 BFGS: 1123 10:59:32 0.848242 0.175082 BFGS: 1124 10:59:32 0.836000 0.174215 BFGS: 1125 10:59:32 0.823854 0.173329 BFGS: 1126 10:59:32 0.811802 0.172424 BFGS: 1127 10:59:32 0.799844 0.171501 BFGS: 1128 10:59:33 0.787981 0.170560 BFGS: 1129 10:59:33 0.776213 0.169604 BFGS: 1130 10:59:33 0.764538 0.168632 BFGS: 1131 10:59:33 0.752959 0.167645 BFGS: 1132 10:59:33 0.741473 0.166643 BFGS: 1133 10:59:33 0.730081 0.165629 BFGS: 1134 10:59:33 0.718784 0.164602 BFGS: 1135 10:59:33 0.707581 0.163562 BFGS: 1136 10:59:34 0.696471 0.162511 BFGS: 1137 10:59:34 0.685456 0.161449 BFGS: 1138 10:59:34 0.674534 0.160377 BFGS: 1139 10:59:34 0.663706 0.159295 BFGS: 1140 10:59:34 0.652971 0.158203 BFGS: 1141 10:59:34 0.642331 0.157102 BFGS: 1142 10:59:34 0.631783 0.155993 BFGS: 1143 10:59:34 0.621329 0.154876 BFGS: 1144 10:59:35 0.610968 0.153751 BFGS: 1145 10:59:35 0.600700 0.152619 BFGS: 1146 10:59:35 0.590525 0.151480 BFGS: 1147 10:59:35 0.580443 0.150334 BFGS: 1148 10:59:35 0.570453 0.149182 BFGS: 1149 10:59:35 0.560556 0.148024 BFGS: 1150 10:59:35 0.550752 0.146861 BFGS: 1151 10:59:35 0.541040 0.145692 BFGS: 1152 10:59:36 0.531420 0.144519 BFGS: 1153 10:59:36 0.521892 0.143340 BFGS: 1154 10:59:36 0.512456 0.142157 BFGS: 1155 10:59:36 0.503112 0.140970 BFGS: 1156 10:59:36 0.493860 0.139779 BFGS: 1157 10:59:36 0.484699 0.138584 BFGS: 1158 10:59:36 0.475630 0.137386 BFGS: 1159 10:59:36 0.466651 0.136184 BFGS: 1160 10:59:37 0.457764 0.134980 BFGS: 1161 10:59:37 0.448968 0.133772 BFGS: 1162 10:59:37 0.440263 0.132561 BFGS: 1163 10:59:37 0.431648 0.131348 BFGS: 1164 10:59:37 0.423124 0.130132 BFGS: 1165 10:59:37 0.414690 0.128914 BFGS: 1166 10:59:37 0.406346 0.127694 BFGS: 1167 10:59:37 0.398092 0.126472 BFGS: 1168 10:59:38 0.389928 0.125248 BFGS: 1169 10:59:38 0.381854 0.124022 BFGS: 1170 10:59:38 0.373870 0.122795 BFGS: 1171 10:59:38 0.365975 0.121566 BFGS: 1172 10:59:38 0.358169 0.120336 BFGS: 1173 10:59:38 0.350452 0.119104 BFGS: 1174 10:59:38 0.342824 0.117871 BFGS: 1175 10:59:38 0.335285 0.116637 BFGS: 1176 10:59:39 0.327835 0.115403 BFGS: 1177 10:59:39 0.320473 0.114167 BFGS: 1178 10:59:39 0.313199 0.112930 BFGS: 1179 10:59:39 0.306014 0.111693 BFGS: 1180 10:59:39 0.298916 0.110455 BFGS: 1181 10:59:39 0.291906 0.109216 BFGS: 1182 10:59:39 0.284984 0.107977 BFGS: 1183 10:59:39 0.278150 0.106737 BFGS: 1184 10:59:40 0.271403 0.105497 BFGS: 1185 10:59:40 0.264743 0.104257 BFGS: 1186 10:59:40 0.258170 0.103016 BFGS: 1187 10:59:40 0.251684 0.101775 BFGS: 1188 10:59:40 0.245284 0.100533 BFGS: 1189 10:59:40 0.238971 0.099292 BFGS: 1190 10:59:40 0.232745 0.098050 BFGS: 1191 10:59:40 0.226604 0.096809 BFGS: 1192 10:59:41 0.220550 0.095567 BFGS: 1193 10:59:41 0.214582 0.094325 BFGS: 1194 10:59:41 0.208699 0.093084 BFGS: 1195 10:59:41 0.202902 0.091842 BFGS: 1196 10:59:41 0.197190 0.090601 BFGS: 1197 10:59:41 0.191563 0.089359 BFGS: 1198 10:59:41 0.186022 0.088118 BFGS: 1199 10:59:41 0.180565 0.086877 BFGS: 1200 10:59:42 0.175193 0.085636 BFGS: 1201 10:59:42 0.169906 0.084395 BFGS: 1202 10:59:42 0.164703 0.083154 BFGS: 1203 10:59:42 0.159585 0.081914 BFGS: 1204 10:59:42 0.154550 0.080674 BFGS: 1205 10:59:42 0.149600 0.079434 BFGS: 1206 10:59:42 0.144733 0.078195 BFGS: 1207 10:59:42 0.139950 0.076955 BFGS: 1208 10:59:42 0.135250 0.075716 BFGS: 1209 10:59:43 0.130633 0.074478 BFGS: 1210 10:59:43 0.126100 0.073239 BFGS: 1211 10:59:43 0.121649 0.072001 BFGS: 1212 10:59:43 0.117282 0.070763 BFGS: 1213 10:59:43 0.112997 0.069526 BFGS: 1214 10:59:43 0.108794 0.068288 BFGS: 1215 10:59:43 0.104674 0.067051 BFGS: 1216 10:59:43 0.100636 0.065815 BFGS: 1217 10:59:43 0.096680 0.064578 BFGS: 1218 10:59:43 0.092806 0.063342 BFGS: 1219 10:59:44 0.089013 0.062106 BFGS: 1220 10:59:44 0.085302 0.060870 BFGS: 1221 10:59:44 0.081673 0.059635 BFGS: 1222 10:59:44 0.078124 0.058400 BFGS: 1223 10:59:44 0.074657 0.057165 BFGS: 1224 10:59:44 0.071271 0.055930 BFGS: 1225 10:59:44 0.067965 0.054695 BFGS: 1226 10:59:44 0.064740 0.053460 BFGS: 1227 10:59:44 0.061595 0.052226 BFGS: 1228 10:59:45 0.058531 0.050991 BFGS: 1229 10:59:45 0.055546 0.049757 BFGS: 1230 10:59:45 0.052642 0.048522 BFGS: 1231 10:59:45 0.049817 0.047288 BFGS: 1232 10:59:45 0.047072 0.046053 BFGS: 1233 10:59:45 0.044407 0.044818 BFGS: 1234 10:59:45 0.041821 0.043583 BFGS: 1235 10:59:45 0.039314 0.042348 BFGS: 1236 10:59:45 0.036886 0.041113 BFGS: 1237 10:59:45 0.034537 0.039877 BFGS: 1238 10:59:46 0.032266 0.038641 BFGS: 1239 10:59:46 0.030074 0.037404 BFGS: 1240 10:59:46 0.027961 0.036167 BFGS: 1241 10:59:46 0.025926 0.034930 BFGS: 1242 10:59:46 0.023969 0.033691 BFGS: 1243 10:59:46 0.022090 0.032452 BFGS: 1244 10:59:46 0.020289 0.031212 BFGS: 1245 10:59:46 0.018565 0.029971 BFGS: 1246 10:59:46 0.016919 0.028729 BFGS: 1247 10:59:47 0.015351 0.027485 BFGS: 1248 10:59:47 0.013859 0.026240 BFGS: 1249 10:59:47 0.012445 0.024994 BFGS: 1250 10:59:47 0.011107 0.023745 BFGS: 1251 10:59:47 0.009847 0.022495 BFGS: 1252 10:59:47 0.008663 0.021243 BFGS: 1253 10:59:47 0.007555 0.019988 BFGS: 1254 10:59:47 0.006524 0.018730 BFGS: 1255 10:59:47 0.005569 0.017470 BFGS: 1256 10:59:47 0.004690 0.016205 BFGS: 1257 10:59:48 0.003887 0.014937 BFGS: 1258 10:59:48 0.003160 0.013664 BFGS: 1259 10:59:48 0.002508 0.012386 BFGS: 1260 10:59:48 0.001932 0.011102 BFGS: 1261 10:59:48 0.001431 0.009810 BFGS: 1262 10:59:48 0.001006 0.008510 BFGS: 1263 10:59:48 0.000655 0.007198 BFGS: 1264 10:59:48 0.000380 0.005873 BFGS: 1265 10:59:48 0.000179 0.004529 BFGS: 1266 10:59:49 0.000054 0.003156 BFGS: 1267 10:59:49 0.000003 0.001383 BFGS: 1268 10:59:49 0.000000 0.000390 BFGS: 1269 10:59:49 0.000000 0.000000 BFGS: 1270 10:59:49 0.000000 0.000000 Minimization converged after 1270 steps. Maximum force component: 1.574719191027023e-12 eV/Angstrom Maximum stress component: 4.7322036749359334e-15 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'] basis = [[0.17182843 0.17182843 0.17182843] [0.82817157 0.82817157 0.17182843] [0.82817157 0.17182843 0.82817157] [0.17182843 0.82817157 0.82817157] [0.17182843 0.17182843 0.82817157] [0.82817157 0.82817157 0.82817157] [0.17182843 0.82817157 0.17182843] [0.82817157 0.17182843 0.17182843] [0.5 0.2441128 0.2441128 ] [0.5 0.7558872 0.2441128 ] [0.5 0.2441128 0.7558872 ] [0.5 0.7558872 0.7558872 ] [0.2441128 0.5 0.2441128 ] [0.2441128 0.5 0.7558872 ] [0.7558872 0.5 0.2441128 ] [0.7558872 0.5 0.7558872 ] [0.2441128 0.2441128 0.5 ] [0.7558872 0.2441128 0.5 ] [0.2441128 0.7558872 0.5 ] [0.7558872 0.7558872 0.5 ]] cellpar = Cell([[21.387613625044768, -4.736283254343044e-31, 4.251405608350471e-31], [-3.9269898594555e-31, 21.387613625044768, -1.0355960900925248e-16], [-1.3592795182074395e-31, -1.0355960900925217e-16, 21.387613625044768]]) forces = [[ 1.57471919e-12 1.57471919e-12 1.57471919e-12] [-1.57471919e-12 -1.57471919e-12 1.57471919e-12] [-1.57471919e-12 1.57471919e-12 -1.57471919e-12] [ 1.57471919e-12 -1.57471919e-12 -1.57471919e-12] [ 1.57471919e-12 1.57471919e-12 -1.57471919e-12] [-1.57471919e-12 -1.57471919e-12 -1.57471919e-12] [ 1.57471919e-12 -1.57471919e-12 1.57471919e-12] [-1.57471919e-12 1.57471919e-12 1.57471919e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-4.73220367e-15 -4.73220367e-15 -4.73220367e-15 1.22267574e-31 -1.83804964e-47 -1.69764821e-62] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0