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 15:16:27 -241.841608 0.782295 BFGS: 1 15:16:27 -241.906884 0.386305 BFGS: 2 15:16:27 -241.916390 0.369858 BFGS: 3 15:16:27 -241.936881 0.321573 BFGS: 4 15:16:27 -241.948189 0.292500 BFGS: 5 15:16:27 -241.969999 0.238184 BFGS: 6 15:16:27 -241.990627 0.299853 BFGS: 7 15:16:27 -242.010632 0.286843 BFGS: 8 15:16:27 -242.027407 0.200189 BFGS: 9 15:16:27 -242.037453 0.182873 BFGS: 10 15:16:27 -242.043421 0.199596 BFGS: 11 15:16:27 -242.052673 0.157917 BFGS: 12 15:16:27 -242.058000 0.121380 BFGS: 13 15:16:27 -242.060538 0.091353 BFGS: 14 15:16:27 -242.061328 0.062442 BFGS: 15 15:16:27 -242.061801 0.057122 BFGS: 16 15:16:27 -242.062218 0.054689 BFGS: 17 15:16:27 -242.062618 0.057056 BFGS: 18 15:16:27 -242.062978 0.049087 BFGS: 19 15:16:27 -242.063293 0.041050 BFGS: 20 15:16:27 -242.063524 0.036029 BFGS: 21 15:16:27 -242.063678 0.032154 BFGS: 22 15:16:28 -242.063811 0.034246 BFGS: 23 15:16:28 -242.063980 0.033868 BFGS: 24 15:16:28 -242.064174 0.031221 BFGS: 25 15:16:28 -242.064320 0.024225 BFGS: 26 15:16:28 -242.064388 0.012592 BFGS: 27 15:16:28 -242.064419 0.011065 BFGS: 28 15:16:28 -242.064440 0.007778 BFGS: 29 15:16:28 -242.064454 0.007616 BFGS: 30 15:16:28 -242.064463 0.006933 BFGS: 31 15:16:28 -242.064471 0.006785 BFGS: 32 15:16:28 -242.064480 0.007708 BFGS: 33 15:16:28 -242.064490 0.009356 BFGS: 34 15:16:28 -242.064497 0.006813 BFGS: 35 15:16:28 -242.064501 0.003238 BFGS: 36 15:16:28 -242.064503 0.003041 BFGS: 37 15:16:28 -242.064504 0.001629 BFGS: 38 15:16:28 -242.064504 0.000704 BFGS: 39 15:16:28 -242.064504 0.000363 BFGS: 40 15:16:28 -242.064504 0.000370 BFGS: 41 15:16:28 -242.064504 0.000465 BFGS: 42 15:16:28 -242.064504 0.000508 BFGS: 43 15:16:28 -242.064504 0.000668 BFGS: 44 15:16:28 -242.064504 0.000666 BFGS: 45 15:16:28 -242.064504 0.000498 BFGS: 46 15:16:28 -242.064504 0.000637 BFGS: 47 15:16:28 -242.064504 0.000684 BFGS: 48 15:16:28 -242.064505 0.000494 BFGS: 49 15:16:28 -242.064505 0.000271 BFGS: 50 15:16:28 -242.064505 0.000073 BFGS: 51 15:16:28 -242.064505 0.000036 BFGS: 52 15:16:28 -242.064505 0.000022 BFGS: 53 15:16:28 -242.064505 0.000016 BFGS: 54 15:16:28 -242.064505 0.000011 BFGS: 55 15:16:28 -242.064505 0.000006 BFGS: 56 15:16:28 -242.064505 0.000006 BFGS: 57 15:16:28 -242.064505 0.000006 BFGS: 58 15:16:28 -242.064505 0.000006 BFGS: 59 15:16:28 -242.064505 0.000006 BFGS: 60 15:16:28 -242.064505 0.000003 BFGS: 61 15:16:28 -242.064505 0.000002 BFGS: 62 15:16:28 -242.064505 0.000002 BFGS: 63 15:16:28 -242.064505 0.000001 BFGS: 64 15:16:28 -242.064505 0.000001 BFGS: 65 15:16:28 -242.064505 0.000001 BFGS: 66 15:16:28 -242.064505 0.000001 BFGS: 67 15:16:28 -242.064505 0.000001 BFGS: 68 15:16:28 -242.064505 0.000001 BFGS: 69 15:16:28 -242.064505 0.000001 BFGS: 70 15:16:28 -242.064505 0.000001 BFGS: 71 15:16:28 -242.064505 0.000001 BFGS: 72 15:16:28 -242.064505 0.000001 BFGS: 73 15:16:28 -242.064505 0.000001 BFGS: 74 15:16:28 -242.064505 0.000000 BFGS: 75 15:16:28 -242.064505 0.000000 BFGS: 76 15:16:28 -242.064505 0.000000 BFGS: 77 15:16:28 -242.064505 0.000000 BFGS: 78 15:16:28 -242.064505 0.000000 BFGS: 79 15:16:28 -242.064505 0.000000 BFGS: 80 15:16:28 -242.064505 0.000000 BFGS: 81 15:16:28 -242.064505 0.000000 BFGS: 82 15:16:28 -242.064505 0.000000 BFGS: 83 15:16:28 -242.064505 0.000000 BFGS: 84 15:16:28 -242.064505 0.000000 BFGS: 85 15:16:28 -242.064505 0.000000 BFGS: 86 15:16:28 -242.064505 0.000000 BFGS: 87 15:16:28 -242.064505 0.000000 BFGS: 88 15:16:28 -242.064505 0.000000 BFGS: 89 15:16:28 -242.064505 0.000000 BFGS: 90 15:16:28 -242.064505 0.000000 BFGS: 91 15:16:28 -242.064505 0.000000 BFGS: 92 15:16:28 -242.064505 0.000000 BFGS: 93 15:16:29 -242.064505 0.000000 BFGS: 94 15:16:29 -242.064505 0.000000 BFGS: 95 15:16:29 -242.064505 0.000000 BFGS: 96 15:16:29 -242.064505 0.000000 BFGS: 97 15:16:29 -242.064505 0.000000 BFGS: 98 15:16:29 -242.064505 0.000000 BFGS: 99 15:16:29 -242.064505 0.000000 BFGS: 100 15:16:29 -242.064505 0.000000 BFGS: 101 15:16:29 -242.064505 0.000000 BFGS: 102 15:16:29 -242.064505 0.000000 BFGS: 103 15:16:29 -242.064505 0.000000 BFGS: 104 15:16:29 -242.064505 0.000000 BFGS: 105 15:16:29 -242.064505 0.000000 BFGS: 106 15:16:29 -242.064505 0.000000 BFGS: 107 15:16:29 -242.064505 0.000000 BFGS: 108 15:16:29 -242.064505 0.000000 BFGS: 109 15:16:29 -242.064505 0.000000 BFGS: 110 15:16:29 -242.064505 0.000000 BFGS: 111 15:16:29 -242.064505 0.000000 BFGS: 112 15:16:29 -242.064505 0.000000 BFGS: 113 15:16:29 -242.064505 0.000000 BFGS: 114 15:16:29 -242.064505 0.000000 BFGS: 115 15:16:29 -242.064505 0.000000 BFGS: 116 15:16:29 -242.064505 0.000000 BFGS: 117 15:16:29 -242.064505 0.000000 BFGS: 118 15:16:29 -242.064505 0.000000 BFGS: 119 15:16:29 -242.064505 0.000000 BFGS: 120 15:16:29 -242.064505 0.000000 BFGS: 121 15:16:29 -242.064505 0.000000 BFGS: 122 15:16:29 -242.064505 0.000000 BFGS: 123 15:16:29 -242.064505 0.000000 BFGS: 124 15:16:29 -242.064505 0.000000 BFGS: 125 15:16:29 -242.064505 0.000000 BFGS: 126 15:16:29 -242.064505 0.000000 BFGS: 127 15:16:29 -242.064505 0.000000 BFGS: 128 15:16:29 -242.064505 0.000000 BFGS: 129 15:16:29 -242.064505 0.000000 BFGS: 130 15:16:29 -242.064505 0.000000 BFGS: 131 15:16:29 -242.064505 0.000000 BFGS: 132 15:16:29 -242.064505 0.000000 BFGS: 133 15:16:30 -242.064505 0.000000 BFGS: 134 15:16:30 -242.064505 0.000000 BFGS: 135 15:16:30 -242.064505 0.000000 BFGS: 136 15:16:30 -242.064505 0.000000 BFGS: 137 15:16:30 -242.064505 0.000000 BFGS: 138 15:16:30 -242.064505 0.000000 BFGS: 139 15:16:30 -242.064505 0.000000 BFGS: 140 15:16:30 -242.064505 0.000000 BFGS: 141 15:16:30 -242.064505 0.000000 BFGS: 142 15:16:30 -242.064505 0.000000 BFGS: 143 15:16:30 -242.064505 0.000000 BFGS: 144 15:16:30 -242.064505 0.000000 BFGS: 145 15:16:30 -242.064505 0.000000 BFGS: 146 15:16:30 -242.064505 0.000000 BFGS: 147 15:16:30 -242.064505 0.000000 BFGS: 148 15:16:30 -242.064505 0.000000 BFGS: 149 15:16:30 -242.064505 0.000000 BFGS: 150 15:16:30 -242.064505 0.000000 BFGS: 151 15:16:30 -242.064505 0.000000 BFGS: 152 15:16:30 -242.064505 0.000000 BFGS: 153 15:16:30 -242.064505 0.000000 BFGS: 154 15:16:30 -242.064505 0.000000 BFGS: 155 15:16:30 -242.064505 0.000000 BFGS: 156 15:16:30 -242.064505 0.000000 BFGS: 157 15:16:30 -242.064505 0.000000 BFGS: 158 15:16:30 -242.064505 0.000000 BFGS: 159 15:16:30 -242.064505 0.000000 BFGS: 160 15:16:30 -242.064505 0.000000 BFGS: 161 15:16:30 -242.064505 0.000000 BFGS: 162 15:16:30 -242.064505 0.000000 BFGS: 163 15:16:30 -242.064505 0.000000 BFGS: 164 15:16:30 -242.064505 0.000000 BFGS: 165 15:16:30 -242.064505 0.000000 BFGS: 166 15:16:30 -242.064505 0.000000 BFGS: 167 15:16:30 -242.064505 0.000000 BFGS: 168 15:16:30 -242.064505 0.000000 BFGS: 169 15:16:30 -242.064505 0.000000 BFGS: 170 15:16:30 -242.064505 0.000000 BFGS: 171 15:16:30 -242.064505 0.000000 BFGS: 172 15:16:30 -242.064505 0.000000 BFGS: 173 15:16:30 -242.064505 0.000000 BFGS: 174 15:16:30 -242.064505 0.000000 BFGS: 175 15:16:31 -242.064505 0.000000 BFGS: 176 15:16:31 -242.064505 0.000000 BFGS: 177 15:16:31 -242.064505 0.000000 BFGS: 178 15:16:31 -242.064505 0.000000 BFGS: 179 15:16:31 -242.064505 0.000000 BFGS: 180 15:16:31 -242.064505 0.000000 BFGS: 181 15:16:31 -242.064505 0.000000 BFGS: 182 15:16:31 -242.064505 0.000000 BFGS: 183 15:16:31 -242.064505 0.000000 BFGS: 184 15:16:31 -242.064505 0.000000 BFGS: 185 15:16:31 -242.064505 0.000000 BFGS: 186 15:16:31 -242.064505 0.000000 BFGS: 187 15:16:31 -242.064505 0.000000 BFGS: 188 15:16:31 -242.064505 0.000000 BFGS: 189 15:16:31 -242.064505 0.000000 BFGS: 190 15:16:31 -242.064505 0.000000 BFGS: 191 15:16:31 -242.064505 0.000000 BFGS: 192 15:16:31 -242.064505 0.000000 BFGS: 193 15:16:31 -242.064505 0.000000 BFGS: 194 15:16:31 -242.064505 0.000000 BFGS: 195 15:16:31 -242.064505 0.000000 BFGS: 196 15:16:31 -242.064505 0.000000 BFGS: 197 15:16:31 -242.064505 0.000000 BFGS: 198 15:16:31 -242.064505 0.000000 BFGS: 199 15:16:31 -242.064505 0.000000 BFGS: 200 15:16:31 -242.064505 0.000000 BFGS: 201 15:16:31 -242.064505 0.000000 BFGS: 202 15:16:31 -242.064505 0.000000 BFGS: 203 15:16:31 -242.064505 0.000000 BFGS: 204 15:16:31 -242.064505 0.000000 BFGS: 205 15:16:31 -242.064505 0.000000 BFGS: 206 15:16:31 -242.064505 0.000000 BFGS: 207 15:16:31 -242.064505 0.000000 BFGS: 208 15:16:31 -242.064505 0.000000 BFGS: 209 15:16:31 -242.064505 0.000000 BFGS: 210 15:16:31 -242.064505 0.000000 BFGS: 211 15:16:31 -242.064505 0.000000 BFGS: 212 15:16:31 -242.064505 0.000000 BFGS: 213 15:16:31 -242.064505 0.000000 BFGS: 214 15:16:31 -242.064505 0.000000 BFGS: 215 15:16:31 -242.064505 0.000000 BFGS: 216 15:16:31 -242.064505 0.000000 BFGS: 217 15:16:31 -242.064505 0.000000 BFGS: 218 15:16:31 -242.064505 0.000000 BFGS: 219 15:16:31 -242.064505 0.000000 BFGS: 220 15:16:31 -242.064505 0.000000 BFGS: 221 15:16:32 -242.064505 0.000000 BFGS: 222 15:16:32 -242.064505 0.000000 BFGS: 223 15:16:32 -242.064505 0.000000 BFGS: 224 15:16:32 -242.064505 0.000000 BFGS: 225 15:16:32 -242.064505 0.000000 BFGS: 226 15:16:32 -242.064505 0.000000 BFGS: 227 15:16:32 -242.064505 0.000000 BFGS: 228 15:16:32 -242.064505 0.000000 BFGS: 229 15:16:32 -242.064505 0.000000 BFGS: 230 15:16:32 -242.064505 0.000000 BFGS: 231 15:16:32 -242.064505 0.000000 BFGS: 232 15:16:32 -242.064505 0.000000 BFGS: 233 15:16:32 -242.064505 0.000000 BFGS: 234 15:16:32 -242.064505 0.000000 BFGS: 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260 15:16:33 -242.064505 0.000000 BFGS: 261 15:16:33 -242.064505 0.000000 BFGS: 262 15:16:33 -242.064505 0.000000 BFGS: 263 15:16:33 -242.064505 0.000000 BFGS: 264 15:16:33 -242.064505 0.000000 BFGS: 265 15:16:33 -242.064505 0.000000 BFGS: 266 15:16:33 -242.064505 0.000000 BFGS: 267 15:16:33 -242.064505 0.000000 BFGS: 268 15:16:33 -242.064505 0.000000 BFGS: 269 15:16:33 -242.064505 0.000000 BFGS: 270 15:16:33 -242.064505 0.000000 BFGS: 271 15:16:33 -242.064505 0.000000 BFGS: 272 15:16:33 -242.064505 0.000000 BFGS: 273 15:16:33 -242.064505 0.000000 BFGS: 274 15:16:33 -242.064505 0.000000 BFGS: 275 15:16:33 -242.064505 0.000000 BFGS: 276 15:16:33 -242.064505 0.000000 BFGS: 277 15:16:33 -242.064505 0.000000 BFGS: 278 15:16:33 -242.064505 0.000000 BFGS: 279 15:16:33 -242.064505 0.000000 BFGS: 280 15:16:33 -242.064505 0.000000 BFGS: 281 15:16:33 -242.064505 0.000000 BFGS: 282 15:16:33 -242.064505 0.000000 BFGS: 283 15:16:33 -242.064505 0.000000 BFGS: 284 15:16:33 -242.064505 0.000000 BFGS: 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335 15:16:34 -242.064505 0.000000 BFGS: 336 15:16:34 -242.064505 0.000000 BFGS: 337 15:16:34 -242.064505 0.000000 BFGS: 338 15:16:34 -242.064505 0.000000 BFGS: 339 15:16:34 -242.064505 0.000000 BFGS: 340 15:16:34 -242.064505 0.000000 BFGS: 341 15:16:34 -242.064505 0.000000 BFGS: 342 15:16:34 -242.064505 0.000000 BFGS: 343 15:16:34 -242.064505 0.000000 BFGS: 344 15:16:34 -242.064505 0.000000 BFGS: 345 15:16:34 -242.064505 0.000000 BFGS: 346 15:16:34 -242.064505 0.000000 BFGS: 347 15:16:34 -242.064505 0.000000 BFGS: 348 15:16:34 -242.064505 0.000000 BFGS: 349 15:16:34 -242.064505 0.000000 BFGS: 350 15:16:34 -242.064505 0.000000 BFGS: 351 15:16:34 -242.064505 0.000000 BFGS: 352 15:16:34 -242.064505 0.000000 BFGS: 353 15:16:34 -242.064505 0.000000 BFGS: 354 15:16:34 -242.064505 0.000000 BFGS: 355 15:16:34 -242.064505 0.000000 BFGS: 356 15:16:34 -242.064505 0.000000 BFGS: 357 15:16:34 -242.064505 0.000000 BFGS: 358 15:16:34 -242.064505 0.000000 BFGS: 359 15:16:34 -242.064505 0.000000 BFGS: 360 15:16:34 -242.064505 0.000000 BFGS: 361 15:16:34 -242.064505 0.000000 BFGS: 362 15:16:34 -242.064505 0.000000 BFGS: 363 15:16:34 -242.064505 0.000000 BFGS: 364 15:16:34 -242.064505 0.000000 BFGS: 365 15:16:34 -242.064505 0.000000 BFGS: 366 15:16:34 -242.064505 0.000000 BFGS: 367 15:16:34 -242.064505 0.000000 BFGS: 368 15:16:34 -242.064505 0.000000 BFGS: 369 15:16:34 -242.064505 0.000000 BFGS: 370 15:16:34 -242.064505 0.000000 BFGS: 371 15:16:34 -242.064505 0.000000 BFGS: 372 15:16:34 -242.064505 0.000000 BFGS: 373 15:16:34 -242.064505 0.000000 BFGS: 374 15:16:34 -242.064505 0.000000 BFGS: 375 15:16:34 -242.064505 0.000000 BFGS: 376 15:16:34 -242.064505 0.000000 BFGS: 377 15:16:34 -242.064505 0.000000 BFGS: 378 15:16:34 -242.064505 0.000000 BFGS: 379 15:16:34 -242.064505 0.000000 BFGS: 380 15:16:34 -242.064505 0.000000 BFGS: 381 15:16:34 -242.064505 0.000000 BFGS: 382 15:16:34 -242.064505 0.000000 BFGS: 383 15:16:34 -242.064505 0.000000 BFGS: 384 15:16:34 -242.064505 0.000000 BFGS: 385 15:16:34 -242.064505 0.000000 BFGS: 386 15:16:34 -242.064505 0.000000 BFGS: 387 15:16:34 -242.064505 0.000000 BFGS: 388 15:16:34 -242.064505 0.000000 BFGS: 389 15:16:34 -242.064505 0.000000 BFGS: 390 15:16:34 -242.064505 0.000000 BFGS: 391 15:16:34 -242.064505 0.000000 BFGS: 392 15:16:34 -242.064505 0.000000 BFGS: 393 15:16:34 -242.064505 0.000000 BFGS: 394 15:16:34 -242.064505 0.000000 BFGS: 395 15:16:34 -242.064505 0.000000 BFGS: 396 15:16:34 -242.064505 0.000000 BFGS: 397 15:16:34 -242.064505 0.000000 BFGS: 398 15:16:34 -242.064505 0.000000 BFGS: 399 15:16:34 -242.064505 0.000000 BFGS: 400 15:16:34 -242.064505 0.000000 BFGS: 401 15:16:34 -242.064505 0.000000 BFGS: 402 15:16:34 -242.064505 0.000000 BFGS: 403 15:16:34 -242.064505 0.000000 BFGS: 404 15:16:34 -242.064505 0.000000 BFGS: 405 15:16:34 -242.064505 0.000000 BFGS: 406 15:16:34 -242.064505 0.000000 BFGS: 407 15:16:34 -242.064505 0.000000 BFGS: 408 15:16:34 -242.064505 0.000000 BFGS: 409 15:16:34 -242.064505 0.000000 BFGS: 410 15:16:34 -242.064505 0.000000 BFGS: 411 15:16:34 -242.064505 0.000000 BFGS: 412 15:16:34 -242.064505 0.000000 BFGS: 413 15:16:34 -242.064505 0.000000 BFGS: 414 15:16:34 -242.064505 0.000000 BFGS: 415 15:16:34 -242.064505 0.000000 BFGS: 416 15:16:34 -242.064505 0.000000 BFGS: 417 15:16:34 -242.064505 0.000000 BFGS: 418 15:16:34 -242.064505 0.000000 Minimization converged after 418 steps. Maximum force component: 9.929132405162022e-09 eV/Angstrom Maximum stress component: 1.1250242337665846e-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 1.33928073e-41 3.92485311e-02] [1.60180697e-34 0.00000000e+00 1.44660358e-01] [0.00000000e+00 7.31877343e-36 2.50104721e-01] [2.80959987e-36 0.00000000e+00 4.60530830e-01] [2.05371567e-35 0.00000000e+00 6.18182828e-01] [0.00000000e+00 1.05649009e-35 9.33836828e-01] [0.00000000e+00 4.70632300e-37 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 1.74756278e-36 2.11000354e-01] [0.00000000e+00 5.22914665e-36 8.94764471e-01] [0.00000000e+00 4.02815933e-36 4.21331532e-01] [2.26632787e-36 0.00000000e+00 7.89426164e-01] [1.38063859e-36 0.00000000e+00 1.05587576e-01] [0.00000000e+00 5.16040106e-36 1.75875384e-04] [3.10764615e-37 0.00000000e+00 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, 5.093938911878016e-19, -7.74172605729861e-32], [-1.5321580586089056, 2.6537756027367188, -1.5483452484415883e-31], [-1.220872273953919e-30, -3.524354677885203e-30, 48.37247887643517]]) forces = [[ 2.00873384e-40 5.79871511e-40 -7.95885347e-09] [-1.28923690e-29 1.11651191e-29 -6.59797239e-09] [ 3.85472514e-41 1.11276330e-40 -1.52729007e-09] [-2.13046055e-40 -6.15010986e-40 8.44114983e-09] [-2.01192259e-40 -5.80792025e-40 7.97148769e-09] [ 1.28923690e-29 -1.11651191e-29 -7.72678554e-09] [ 9.51876499e-41 2.74783076e-40 -3.77145315e-09] [-1.28095532e-40 -3.69779950e-40 5.07530440e-09] [-1.28923690e-29 1.11651191e-29 -8.01922057e-09] [ 2.11762029e-41 6.11304323e-41 -8.39027514e-10] [-2.09136000e-40 -6.03723629e-40 8.28622859e-09] [-1.05650303e-40 -3.04986155e-40 4.18599649e-09] [ 1.28923690e-29 -1.11651191e-29 -4.75372958e-09] [-3.22309225e-30 2.79127977e-30 -6.95691171e-09] [ 1.28923690e-29 -1.11651191e-29 1.95841282e-09] [-2.50601225e-40 -7.23423423e-40 9.92913241e-09] [ 3.22309225e-30 -2.79127977e-30 7.35867667e-09] [ 1.28923690e-29 -1.11651191e-29 1.06556919e-09] [ 1.92591874e-40 5.55964850e-40 -7.63072971e-09] [ 7.86101450e-41 2.26927942e-40 -3.11463177e-09] [ 1.82683122e-40 5.27360748e-40 -7.23813265e-09] [-2.01519494e-40 -5.81736671e-40 7.98445315e-09] [ 5.04110843e-41 1.45524265e-40 -1.99734990e-09] [ 3.22309225e-30 -2.79127977e-30 -7.16323917e-09] [ 2.01511165e-40 5.81712627e-40 -7.98412314e-09] [-2.10172694e-40 -6.06716306e-40 8.32730368e-09] [-1.75264857e-40 -5.05946062e-40 6.94421176e-09] [ 1.91833855e-40 5.53776639e-40 -7.60069607e-09] [-1.28923690e-29 1.11651191e-29 9.45360035e-09] [-1.43830269e-41 -4.15202223e-41 5.69873426e-10] [ 1.28923690e-29 -1.11651191e-29 2.33271563e-09] [-1.28923690e-29 1.11651191e-29 -5.77063031e-09] [-2.89118970e-42 -8.34614576e-42 1.14552534e-10] [-1.53820618e-40 -4.44041874e-40 6.09456430e-09] [-3.22309225e-30 2.79127976e-30 9.39374789e-09] [-3.22309225e-30 2.79127977e-30 -7.54883867e-09] [-1.28923690e-29 1.11651191e-29 3.89921334e-09] [-3.22309225e-30 2.79127977e-30 -5.18657833e-09]] stress = [-5.37657385e-12 -5.37657385e-12 1.12502423e-11 6.73191685e-38 2.33200440e-38 -1.68616298e-28] energy per atom = -6.370118541864657 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0