element(s): ['C', 'Si'] AFLOW prototype label: AB_hP38_156_7a6b6c_7a6b6c Parameter names: ['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10', 'z11', 'z12', 'z13', 'z14', 'z15', 'z16', 'z17', 'z18', 'z19', 'z20', 'z21', 'z22', 'z23', 'z24', 'z25', 'z26', 'z27', 'z28', 'z29', 'z30', 'z31', 'z32', 'z33', 'z34', 'z35', 'z36', 'z37', 'z38'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.094', '15.543891', '0.039430474', '0.14470115', '0.25001061', '0.46061394', '0.61850837', '0.93416308', '0.82891157', '0.2105292', '0.89471234', '0.42103578', '0.78942874', '0.10526689', '0.99997353', '0.57893489', '0.67100113', '0.9869322', '0.77632658', '0.5657508', '0.35534826', '0.19746324', '0.6315554', '0.94735182', '0.52627409', '0.73684203', '0.31577466', '0.15789526', '0.88167', '0.7237717', '0.51316777', '0.40784222', '0.30259195', '0.09220804', '0.26311478', '0.36839622', '0.47368651', '0.052630088', '0.68419366', '0.84209103'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0.03943047] [0. 0. 0.14470115] [0. 0. 0.25001061] [0. 0. 0.46061394] [0. 0. 0.61850837] [0. 0. 0.93416308] [0. 0. 0.82891157] [0.33333333 0.66666667 0.67100113] [0.33333333 0.66666667 0.9869322 ] [0.33333333 0.66666667 0.77632658] [0.33333333 0.66666667 0.5657508 ] [0.33333333 0.66666667 0.35534826] [0.33333333 0.66666667 0.19746324] [0.66666667 0.33333333 0.88167 ] [0.66666667 0.33333333 0.7237717 ] [0.66666667 0.33333333 0.51316777] [0.66666667 0.33333333 0.40784222] [0.66666667 0.33333333 0.30259195] [0.66666667 0.33333333 0.09220804] [0. 0. 0.2105292 ] [0. 0. 0.89471234] [0. 0. 0.42103578] [0. 0. 0.78942874] [0. 0. 0.10526689] [0. 0. 0.99997353] [0. 0. 0.57893489] [0.33333333 0.66666667 0.6315554 ] [0.33333333 0.66666667 0.94735182] [0.33333333 0.66666667 0.52627409] [0.33333333 0.66666667 0.73684203] [0.33333333 0.66666667 0.31577466] [0.33333333 0.66666667 0.15789526] [0.66666667 0.33333333 0.26311478] [0.66666667 0.33333333 0.36839622] [0.66666667 0.33333333 0.47368651] [0.66666667 0.33333333 0.05263009] [0.66666667 0.33333333 0.68419366] [0.66666667 0.33333333 0.84209103]] spacegroup = 156 cell = [[3.094, 0, 0], [-1.547, 2.6794825993091, 0], [0, 0, 48.0928]] ========================================= Step Time Energy fmax BFGS: 0 12:50:25 -241.841608 0.782295 BFGS: 1 12:50:25 -241.906884 0.386305 BFGS: 2 12:50:25 -241.916390 0.369858 BFGS: 3 12:50:25 -241.936881 0.321573 BFGS: 4 12:50:25 -241.948189 0.292500 BFGS: 5 12:50:25 -241.969999 0.238184 BFGS: 6 12:50:25 -241.990627 0.299853 BFGS: 7 12:50:25 -242.010632 0.286843 BFGS: 8 12:50:25 -242.027407 0.200189 BFGS: 9 12:50:25 -242.037453 0.182873 BFGS: 10 12:50:25 -242.043421 0.199596 BFGS: 11 12:50:25 -242.052673 0.157917 BFGS: 12 12:50:25 -242.058000 0.121380 BFGS: 13 12:50:25 -242.060538 0.091353 BFGS: 14 12:50:25 -242.061328 0.062442 BFGS: 15 12:50:25 -242.061801 0.057122 BFGS: 16 12:50:25 -242.062218 0.054689 BFGS: 17 12:50:26 -242.062618 0.057056 BFGS: 18 12:50:26 -242.062978 0.049087 BFGS: 19 12:50:26 -242.063293 0.041050 BFGS: 20 12:50:26 -242.063524 0.036029 BFGS: 21 12:50:26 -242.063678 0.032154 BFGS: 22 12:50:26 -242.063811 0.034246 BFGS: 23 12:50:26 -242.063980 0.033868 BFGS: 24 12:50:26 -242.064174 0.031221 BFGS: 25 12:50:26 -242.064320 0.024225 BFGS: 26 12:50:26 -242.064388 0.012592 BFGS: 27 12:50:26 -242.064419 0.011065 BFGS: 28 12:50:26 -242.064440 0.007778 BFGS: 29 12:50:26 -242.064454 0.007616 BFGS: 30 12:50:26 -242.064463 0.006933 BFGS: 31 12:50:26 -242.064471 0.006785 BFGS: 32 12:50:26 -242.064480 0.007708 BFGS: 33 12:50:26 -242.064490 0.009356 BFGS: 34 12:50:26 -242.064497 0.006813 BFGS: 35 12:50:26 -242.064501 0.003238 BFGS: 36 12:50:26 -242.064503 0.003041 BFGS: 37 12:50:26 -242.064504 0.001629 BFGS: 38 12:50:26 -242.064504 0.000704 BFGS: 39 12:50:26 -242.064504 0.000363 BFGS: 40 12:50:26 -242.064504 0.000370 BFGS: 41 12:50:26 -242.064504 0.000465 BFGS: 42 12:50:26 -242.064504 0.000508 BFGS: 43 12:50:26 -242.064504 0.000668 BFGS: 44 12:50:27 -242.064504 0.000666 BFGS: 45 12:50:27 -242.064504 0.000498 BFGS: 46 12:50:27 -242.064504 0.000637 BFGS: 47 12:50:27 -242.064504 0.000684 BFGS: 48 12:50:27 -242.064505 0.000494 BFGS: 49 12:50:27 -242.064505 0.000271 BFGS: 50 12:50:27 -242.064505 0.000073 BFGS: 51 12:50:27 -242.064505 0.000036 BFGS: 52 12:50:27 -242.064505 0.000022 BFGS: 53 12:50:27 -242.064505 0.000016 BFGS: 54 12:50:27 -242.064505 0.000011 BFGS: 55 12:50:27 -242.064505 0.000006 BFGS: 56 12:50:27 -242.064505 0.000006 BFGS: 57 12:50:27 -242.064505 0.000006 BFGS: 58 12:50:27 -242.064505 0.000006 BFGS: 59 12:50:27 -242.064505 0.000006 BFGS: 60 12:50:27 -242.064505 0.000003 BFGS: 61 12:50:27 -242.064505 0.000002 BFGS: 62 12:50:27 -242.064505 0.000002 BFGS: 63 12:50:27 -242.064505 0.000001 BFGS: 64 12:50:27 -242.064505 0.000001 BFGS: 65 12:50:27 -242.064505 0.000001 BFGS: 66 12:50:27 -242.064505 0.000001 BFGS: 67 12:50:27 -242.064505 0.000001 BFGS: 68 12:50:28 -242.064505 0.000001 BFGS: 69 12:50:28 -242.064505 0.000001 BFGS: 70 12:50:28 -242.064505 0.000001 BFGS: 71 12:50:28 -242.064505 0.000001 BFGS: 72 12:50:28 -242.064505 0.000001 BFGS: 73 12:50:28 -242.064505 0.000001 BFGS: 74 12:50:28 -242.064505 0.000000 BFGS: 75 12:50:28 -242.064505 0.000000 BFGS: 76 12:50:28 -242.064505 0.000000 BFGS: 77 12:50:28 -242.064505 0.000000 BFGS: 78 12:50:28 -242.064505 0.000000 BFGS: 79 12:50:28 -242.064505 0.000000 BFGS: 80 12:50:28 -242.064505 0.000000 BFGS: 81 12:50:28 -242.064505 0.000000 BFGS: 82 12:50:28 -242.064505 0.000000 BFGS: 83 12:50:28 -242.064505 0.000000 BFGS: 84 12:50:28 -242.064505 0.000000 BFGS: 85 12:50:29 -242.064505 0.000000 BFGS: 86 12:50:29 -242.064505 0.000000 BFGS: 87 12:50:29 -242.064505 0.000000 BFGS: 88 12:50:29 -242.064505 0.000000 BFGS: 89 12:50:29 -242.064505 0.000000 BFGS: 90 12:50:29 -242.064505 0.000000 BFGS: 91 12:50:29 -242.064505 0.000000 BFGS: 92 12:50:29 -242.064505 0.000000 BFGS: 93 12:50:29 -242.064505 0.000000 BFGS: 94 12:50:29 -242.064505 0.000000 BFGS: 95 12:50:29 -242.064505 0.000000 BFGS: 96 12:50:29 -242.064505 0.000000 BFGS: 97 12:50:29 -242.064505 0.000000 BFGS: 98 12:50:29 -242.064505 0.000000 BFGS: 99 12:50:29 -242.064505 0.000000 BFGS: 100 12:50:29 -242.064505 0.000000 BFGS: 101 12:50:29 -242.064505 0.000000 BFGS: 102 12:50:29 -242.064505 0.000000 BFGS: 103 12:50:29 -242.064505 0.000000 BFGS: 104 12:50:29 -242.064505 0.000000 BFGS: 105 12:50:29 -242.064505 0.000000 BFGS: 106 12:50:29 -242.064505 0.000000 BFGS: 107 12:50:29 -242.064505 0.000000 BFGS: 108 12:50:29 -242.064505 0.000000 BFGS: 109 12:50:29 -242.064505 0.000000 BFGS: 110 12:50:29 -242.064505 0.000000 BFGS: 111 12:50:29 -242.064505 0.000000 BFGS: 112 12:50:30 -242.064505 0.000000 BFGS: 113 12:50:30 -242.064505 0.000000 BFGS: 114 12:50:30 -242.064505 0.000000 BFGS: 115 12:50:30 -242.064505 0.000000 BFGS: 116 12:50:30 -242.064505 0.000000 BFGS: 117 12:50:30 -242.064505 0.000000 BFGS: 118 12:50:30 -242.064505 0.000000 BFGS: 119 12:50:30 -242.064505 0.000000 BFGS: 120 12:50:30 -242.064505 0.000000 BFGS: 121 12:50:30 -242.064505 0.000000 BFGS: 122 12:50:30 -242.064505 0.000000 BFGS: 123 12:50:30 -242.064505 0.000000 BFGS: 124 12:50:30 -242.064505 0.000000 BFGS: 125 12:50:30 -242.064505 0.000000 BFGS: 126 12:50:30 -242.064505 0.000000 BFGS: 127 12:50:30 -242.064505 0.000000 BFGS: 128 12:50:30 -242.064505 0.000000 BFGS: 129 12:50:30 -242.064505 0.000000 BFGS: 130 12:50:30 -242.064505 0.000000 BFGS: 131 12:50:30 -242.064505 0.000000 BFGS: 132 12:50:30 -242.064505 0.000000 BFGS: 133 12:50:30 -242.064505 0.000000 BFGS: 134 12:50:31 -242.064505 0.000000 BFGS: 135 12:50:31 -242.064505 0.000000 BFGS: 136 12:50:31 -242.064505 0.000000 BFGS: 137 12:50:31 -242.064505 0.000000 BFGS: 138 12:50:31 -242.064505 0.000000 BFGS: 139 12:50:31 -242.064505 0.000000 BFGS: 140 12:50:31 -242.064505 0.000000 BFGS: 141 12:50:31 -242.064505 0.000000 BFGS: 142 12:50:31 -242.064505 0.000000 BFGS: 143 12:50:32 -242.064505 0.000000 BFGS: 144 12:50:32 -242.064505 0.000000 BFGS: 145 12:50:32 -242.064505 0.000000 BFGS: 146 12:50:32 -242.064505 0.000000 BFGS: 147 12:50:32 -242.064505 0.000000 BFGS: 148 12:50:32 -242.064505 0.000000 BFGS: 149 12:50:32 -242.064505 0.000000 BFGS: 150 12:50:32 -242.064505 0.000000 BFGS: 151 12:50:32 -242.064505 0.000000 BFGS: 152 12:50:32 -242.064505 0.000000 BFGS: 153 12:50:33 -242.064505 0.000000 BFGS: 154 12:50:33 -242.064505 0.000000 BFGS: 155 12:50:33 -242.064505 0.000000 BFGS: 156 12:50:33 -242.064505 0.000000 BFGS: 157 12:50:33 -242.064505 0.000000 BFGS: 158 12:50:33 -242.064505 0.000000 BFGS: 159 12:50:33 -242.064505 0.000000 BFGS: 160 12:50:33 -242.064505 0.000000 BFGS: 161 12:50:33 -242.064505 0.000000 BFGS: 162 12:50:33 -242.064505 0.000000 BFGS: 163 12:50:33 -242.064505 0.000000 BFGS: 164 12:50:33 -242.064505 0.000000 BFGS: 165 12:50:33 -242.064505 0.000000 BFGS: 166 12:50:33 -242.064505 0.000000 BFGS: 167 12:50:33 -242.064505 0.000000 BFGS: 168 12:50:33 -242.064505 0.000000 BFGS: 169 12:50:33 -242.064505 0.000000 BFGS: 170 12:50:33 -242.064505 0.000000 BFGS: 171 12:50:33 -242.064505 0.000000 BFGS: 172 12:50:33 -242.064505 0.000000 BFGS: 173 12:50:33 -242.064505 0.000000 BFGS: 174 12:50:33 -242.064505 0.000000 BFGS: 175 12:50:33 -242.064505 0.000000 BFGS: 176 12:50:33 -242.064505 0.000000 BFGS: 177 12:50:33 -242.064505 0.000000 BFGS: 178 12:50:33 -242.064505 0.000000 BFGS: 179 12:50:33 -242.064505 0.000000 BFGS: 180 12:50:33 -242.064505 0.000000 BFGS: 181 12:50:34 -242.064505 0.000000 BFGS: 182 12:50:34 -242.064505 0.000000 BFGS: 183 12:50:34 -242.064505 0.000000 BFGS: 184 12:50:34 -242.064505 0.000000 BFGS: 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210 12:50:35 -242.064505 0.000000 BFGS: 211 12:50:35 -242.064505 0.000000 BFGS: 212 12:50:36 -242.064505 0.000000 BFGS: 213 12:50:36 -242.064505 0.000000 BFGS: 214 12:50:36 -242.064505 0.000000 BFGS: 215 12:50:36 -242.064505 0.000000 BFGS: 216 12:50:36 -242.064505 0.000000 BFGS: 217 12:50:36 -242.064505 0.000000 BFGS: 218 12:50:36 -242.064505 0.000000 BFGS: 219 12:50:36 -242.064505 0.000000 BFGS: 220 12:50:36 -242.064505 0.000000 BFGS: 221 12:50:36 -242.064505 0.000000 BFGS: 222 12:50:36 -242.064505 0.000000 BFGS: 223 12:50:37 -242.064505 0.000000 BFGS: 224 12:50:37 -242.064505 0.000000 BFGS: 225 12:50:37 -242.064505 0.000000 BFGS: 226 12:50:37 -242.064505 0.000000 BFGS: 227 12:50:37 -242.064505 0.000000 BFGS: 228 12:50:37 -242.064505 0.000000 BFGS: 229 12:50:37 -242.064505 0.000000 BFGS: 230 12:50:37 -242.064505 0.000000 BFGS: 231 12:50:37 -242.064505 0.000000 BFGS: 232 12:50:37 -242.064505 0.000000 BFGS: 233 12:50:38 -242.064505 0.000000 BFGS: 234 12:50:38 -242.064505 0.000000 BFGS: 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335 12:50:42 -242.064505 0.000000 BFGS: 336 12:50:42 -242.064505 0.000000 BFGS: 337 12:50:42 -242.064505 0.000000 BFGS: 338 12:50:42 -242.064505 0.000000 BFGS: 339 12:50:42 -242.064505 0.000000 BFGS: 340 12:50:42 -242.064505 0.000000 BFGS: 341 12:50:42 -242.064505 0.000000 BFGS: 342 12:50:42 -242.064505 0.000000 BFGS: 343 12:50:43 -242.064505 0.000000 BFGS: 344 12:50:43 -242.064505 0.000000 BFGS: 345 12:50:43 -242.064505 0.000000 BFGS: 346 12:50:43 -242.064505 0.000000 BFGS: 347 12:50:43 -242.064505 0.000000 BFGS: 348 12:50:43 -242.064505 0.000000 BFGS: 349 12:50:43 -242.064505 0.000000 BFGS: 350 12:50:43 -242.064505 0.000000 BFGS: 351 12:50:43 -242.064505 0.000000 BFGS: 352 12:50:43 -242.064505 0.000000 BFGS: 353 12:50:43 -242.064505 0.000000 BFGS: 354 12:50:43 -242.064505 0.000000 BFGS: 355 12:50:43 -242.064505 0.000000 BFGS: 356 12:50:43 -242.064505 0.000000 BFGS: 357 12:50:43 -242.064505 0.000000 BFGS: 358 12:50:43 -242.064505 0.000000 BFGS: 359 12:50:43 -242.064505 0.000000 BFGS: 360 12:50:44 -242.064505 0.000000 BFGS: 361 12:50:44 -242.064505 0.000000 BFGS: 362 12:50:44 -242.064505 0.000000 BFGS: 363 12:50:44 -242.064505 0.000000 BFGS: 364 12:50:44 -242.064505 0.000000 BFGS: 365 12:50:44 -242.064505 0.000000 BFGS: 366 12:50:44 -242.064505 0.000000 BFGS: 367 12:50:44 -242.064505 0.000000 BFGS: 368 12:50:44 -242.064505 0.000000 BFGS: 369 12:50:44 -242.064505 0.000000 BFGS: 370 12:50:45 -242.064505 0.000000 BFGS: 371 12:50:45 -242.064505 0.000000 BFGS: 372 12:50:45 -242.064505 0.000000 BFGS: 373 12:50:45 -242.064505 0.000000 BFGS: 374 12:50:45 -242.064505 0.000000 BFGS: 375 12:50:45 -242.064505 0.000000 BFGS: 376 12:50:45 -242.064505 0.000000 BFGS: 377 12:50:45 -242.064505 0.000000 BFGS: 378 12:50:45 -242.064505 0.000000 BFGS: 379 12:50:45 -242.064505 0.000000 BFGS: 380 12:50:45 -242.064505 0.000000 BFGS: 381 12:50:45 -242.064505 0.000000 BFGS: 382 12:50:45 -242.064505 0.000000 BFGS: 383 12:50:45 -242.064505 0.000000 BFGS: 384 12:50:45 -242.064505 0.000000 BFGS: 385 12:50:45 -242.064505 0.000000 BFGS: 386 12:50:45 -242.064505 0.000000 BFGS: 387 12:50:45 -242.064505 0.000000 BFGS: 388 12:50:45 -242.064505 0.000000 BFGS: 389 12:50:45 -242.064505 0.000000 BFGS: 390 12:50:45 -242.064505 0.000000 BFGS: 391 12:50:45 -242.064505 0.000000 BFGS: 392 12:50:45 -242.064505 0.000000 BFGS: 393 12:50:45 -242.064505 0.000000 BFGS: 394 12:50:45 -242.064505 0.000000 BFGS: 395 12:50:45 -242.064505 0.000000 BFGS: 396 12:50:45 -242.064505 0.000000 BFGS: 397 12:50:46 -242.064505 0.000000 BFGS: 398 12:50:46 -242.064505 0.000000 BFGS: 399 12:50:46 -242.064505 0.000000 BFGS: 400 12:50:46 -242.064505 0.000000 BFGS: 401 12:50:46 -242.064505 0.000000 BFGS: 402 12:50:46 -242.064505 0.000000 BFGS: 403 12:50:46 -242.064505 0.000000 BFGS: 404 12:50:46 -242.064505 0.000000 BFGS: 405 12:50:46 -242.064505 0.000000 BFGS: 406 12:50:46 -242.064505 0.000000 BFGS: 407 12:50:46 -242.064505 0.000000 BFGS: 408 12:50:46 -242.064505 0.000000 BFGS: 409 12:50:46 -242.064505 0.000000 BFGS: 410 12:50:46 -242.064505 0.000000 BFGS: 411 12:50:46 -242.064505 0.000000 BFGS: 412 12:50:46 -242.064505 0.000000 BFGS: 413 12:50:46 -242.064505 0.000000 BFGS: 414 12:50:46 -242.064505 0.000000 BFGS: 415 12:50:46 -242.064505 0.000000 BFGS: 416 12:50:46 -242.064505 0.000000 BFGS: 417 12:50:46 -242.064505 0.000000 BFGS: 418 12:50:46 -242.064505 0.000000 Minimization converged after 418 steps. Maximum force component: 9.929056021817928e-09 eV/Angstrom Maximum stress component: 1.1253024066667857e-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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 7.46163470e-41 3.92485311e-02] [1.53612431e-35 0.00000000e+00 1.44660358e-01] [2.85000641e-35 0.00000000e+00 2.50104721e-01] [0.00000000e+00 1.22094967e-35 4.60530830e-01] [8.62659365e-38 1.48797802e-36 6.18182828e-01] [4.02069530e-36 0.00000000e+00 9.33836828e-01] [6.16218572e-38 0.00000000e+00 8.28423851e-01] [3.33333333e-01 6.66666667e-01 6.70778089e-01] [3.33333333e-01 6.66666667e-01 9.86651417e-01] [3.33333333e-01 6.66666667e-01 7.76222458e-01] [3.33333333e-01 6.66666667e-01 5.65364982e-01] [3.33333333e-01 6.66666667e-01 3.55123960e-01] [3.33333333e-01 6.66666667e-01 1.97471954e-01] [6.66666667e-01 3.33333333e-01 8.81241709e-01] [6.66666667e-01 3.33333333e-01 7.23589699e-01] [6.66666667e-01 3.33333333e-01 5.13163589e-01] [6.66666667e-01 3.33333333e-01 4.07719221e-01] [6.66666667e-01 3.33333333e-01 3.02306114e-01] [6.66666667e-01 3.33333333e-01 9.20630951e-02] [0.00000000e+00 2.37087491e-36 2.11000354e-01] [0.00000000e+00 2.30346670e-36 8.94764471e-01] [1.12513789e-36 0.00000000e+00 4.21331532e-01] [0.00000000e+00 0.00000000e+00 7.89426164e-01] [0.00000000e+00 6.57294197e-36 1.05587576e-01] [0.00000000e+00 9.49795896e-36 1.75875384e-04] [0.00000000e+00 4.90252317e-36 5.78982515e-01] [3.33333333e-01 6.66666667e-01 6.31705607e-01] [3.33333333e-01 6.66666667e-01 9.47451060e-01] [3.33333333e-01 6.66666667e-01 5.26367295e-01] [3.33333333e-01 6.66666667e-01 7.37118092e-01] [3.33333333e-01 6.66666667e-01 3.15923647e-01] [3.33333333e-01 6.66666667e-01 1.58272656e-01] [6.66666667e-01 3.33333333e-01 2.63308427e-01] [6.66666667e-01 3.33333333e-01 3.68646738e-01] [6.66666667e-01 3.33333333e-01 4.74059223e-01] [6.66666667e-01 3.33333333e-01 5.28627425e-02] [6.66666667e-01 3.33333333e-01 6.84390401e-01] [6.66666667e-01 3.33333333e-01 8.42041391e-01]] cellpar = Cell([[3.0643161172178113, 5.704332990444574e-19, -4.368454239061645e-34], [-1.5321580586089056, 2.6537756027367188, -8.736903668044585e-34], [-6.889064041913102e-33, -1.9886991233979237e-32, 48.372478876435174]]) forces = [[ 1.13350744e-42 3.27215024e-42 -7.95907318e-09] [ 1.28923690e-29 -1.11651191e-29 -6.59801103e-09] [ 2.17506369e-43 6.27886057e-43 -1.52724988e-09] [-1.20214371e-42 -3.47028584e-42 8.44101183e-09] [-1.13530117e-42 -3.27732827e-42 7.97166805e-09] [ 1.10047264e-42 3.17678711e-42 -7.72711495e-09] [ 5.37082543e-43 1.55042191e-42 -3.77119647e-09] [-7.22818983e-43 -2.08659619e-42 5.07536957e-09] [ 1.28923690e-29 -1.11651191e-29 -8.01941269e-09] [ 2.57847380e-29 -2.23302381e-29 -8.39006531e-10] [-1.28923690e-29 1.11651191e-29 8.28628111e-09] [-5.96135360e-43 -1.72089251e-42 4.18584367e-09] [ 1.28923690e-29 -1.11651191e-29 -4.75372697e-09] [ 9.90814079e-43 2.86023047e-42 -6.95713276e-09] [-2.78893480e-43 -8.05095172e-43 1.95828764e-09] [-1.41406652e-42 -4.08205357e-42 9.92905602e-09] [-1.04799819e-42 -3.02530658e-42 7.35865857e-09] [-1.51756985e-43 -4.38084161e-43 1.06558184e-09] [ 1.08675326e-42 3.13718270e-42 -7.63078245e-09] [ 4.43576813e-43 1.28049444e-42 -3.11463355e-09] [ 1.03079644e-42 2.97564946e-42 -7.23787419e-09] [-1.13713319e-42 -3.28261687e-42 7.98453187e-09] [ 2.84478817e-43 8.21218631e-43 -1.99750583e-09] [ 1.02016035e-42 2.94494575e-42 -7.16319148e-09] [ 1.13700776e-42 3.28225478e-42 -7.98365113e-09] [-1.18592059e-42 -3.42345379e-42 8.32709907e-09] [-9.88958390e-43 -2.85487357e-42 6.94410279e-09] [ 1.08244523e-42 3.12474652e-42 -7.60053309e-09] [-1.34635404e-42 -3.88658471e-42 9.45360384e-09] [-8.11564467e-44 -2.34278203e-43 5.69850778e-10] [-3.32236224e-43 -9.59082226e-43 2.33284081e-09] [ 8.21835768e-43 2.37243269e-42 -5.77062909e-09] [-1.63023160e-44 -4.70606767e-44 1.14468879e-10] [-8.67978738e-43 -2.50563581e-42 6.09462808e-09] [-1.33785052e-42 -3.86203720e-42 9.39389527e-09] [ 1.07508465e-42 3.10349837e-42 -7.54884977e-09] [-5.55336864e-43 -1.60311753e-42 3.89937160e-09] [ 7.38656782e-43 2.13231592e-42 -5.18657678e-09]] stress = [-5.37698027e-12 -5.37698027e-12 1.12530241e-11 3.79958451e-40 1.31621468e-40 2.17557912e-28] energy per atom = -6.370118541864659 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0