element(s): ['Li', 'Si'] AFLOW prototype label: A21B5_cF416_216_6efg4h_2efg Parameter names: ['a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'z13', 'x14', 'z14', 'x15', 'z15', 'x16', 'z16'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['18.5511', '0.80272711', '0.91864489', '0.057126038', '0.18621155', '0.32992969', '0.55554615', '0.66046999', '0.41491518', '0.67266118', '0.17810376', '0.5745335', '0.42995597', '0.09107039', '0.76309251', '0.90941472', '0.26168864', '0.84515547', '0.020322938', '0.83929165', '0.50701053'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.80272711 0.80272711 0.80272711] [0.91864489 0.91864489 0.91864489] [0.05712604 0.05712604 0.05712604] [0.18621155 0.18621155 0.18621155] [0.32992969 0.32992969 0.32992969] [0.55554615 0.55554615 0.55554615] [0.67266118 0. 0. ] [0.5745335 0.25 0.25 ] [0.59107039 0.59107039 0.76309251] [0.40941472 0.40941472 0.26168864] [0.34515547 0.34515547 0.02032294] [0.33929165 0.33929165 0.50701053] [0.66046999 0.66046999 0.66046999] [0.41491518 0.41491518 0.41491518] [0.17810376 0. 0. ] [0.42995597 0.25 0.25 ]] spacegroup = 216 cell = [[18.5511, 0, 0], [0, 18.5511, 0], [0, 0, 18.5511]] ========================================= Step Time Energy fmax BFGS: 0 10:11:11 -938.037610 0.5209 BFGS: 1 10:11:11 -938.380157 0.5087 BFGS: 2 10:11:12 -940.117767 0.4285 BFGS: 3 10:11:12 -941.051943 0.3504 BFGS: 4 10:11:13 -941.408168 0.2800 BFGS: 5 10:11:14 -941.538925 0.2820 BFGS: 6 10:11:14 -941.943270 0.2700 BFGS: 7 10:11:15 -942.340071 0.2187 BFGS: 8 10:11:16 -942.700497 0.2090 BFGS: 9 10:11:16 -942.983523 0.2630 BFGS: 10 10:11:17 -943.132108 0.3285 BFGS: 11 10:11:18 -943.329008 0.3269 BFGS: 12 10:11:18 -943.646540 0.2510 BFGS: 13 10:11:19 -943.935163 0.2825 BFGS: 14 10:11:20 -944.152144 0.2640 BFGS: 15 10:11:20 -944.314356 0.2111 BFGS: 16 10:11:21 -944.436759 0.2215 BFGS: 17 10:11:22 -944.680803 0.2509 BFGS: 18 10:11:22 -944.997077 0.3018 BFGS: 19 10:11:23 -945.398850 0.3575 BFGS: 20 10:11:23 -945.728309 0.3372 BFGS: 21 10:11:24 -945.881217 0.2714 BFGS: 22 10:11:25 -945.983472 0.1888 BFGS: 23 10:11:25 -946.104856 0.1179 BFGS: 24 10:11:26 -946.251206 0.1576 BFGS: 25 10:11:27 -946.359481 0.1503 BFGS: 26 10:11:27 -946.423198 0.1546 BFGS: 27 10:11:28 -946.486900 0.1368 BFGS: 28 10:11:29 -946.607062 0.1462 BFGS: 29 10:11:29 -946.783119 0.1360 BFGS: 30 10:11:30 -946.951615 0.1042 BFGS: 31 10:11:31 -947.045982 0.1181 BFGS: 32 10:11:31 -947.100065 0.1441 BFGS: 33 10:11:32 -947.144240 0.1611 BFGS: 34 10:11:32 -947.277659 0.1927 BFGS: 35 10:11:33 -947.442662 0.2028 BFGS: 36 10:11:34 -947.576049 0.1845 BFGS: 37 10:11:34 -947.698767 0.1519 BFGS: 38 10:11:35 -947.800342 0.1647 BFGS: 39 10:11:35 -947.870852 0.1520 BFGS: 40 10:11:36 -947.906274 0.1221 BFGS: 41 10:11:37 -947.957118 0.0798 BFGS: 42 10:11:37 -948.016809 0.0885 BFGS: 43 10:11:38 -948.067781 0.0971 BFGS: 44 10:11:38 -948.098729 0.1181 BFGS: 45 10:11:39 -948.123553 0.1075 BFGS: 46 10:11:39 -948.160164 0.0881 BFGS: 47 10:11:40 -948.206074 0.0749 BFGS: 48 10:11:40 -948.239828 0.0461 BFGS: 49 10:11:41 -948.252313 0.0447 BFGS: 50 10:11:41 -948.256824 0.0446 BFGS: 51 10:11:42 -948.261745 0.0446 BFGS: 52 10:11:42 -948.269863 0.0443 BFGS: 53 10:11:43 -948.277738 0.0440 BFGS: 54 10:11:43 -948.281709 0.0437 BFGS: 55 10:11:43 -948.282884 0.0436 BFGS: 56 10:11:44 -948.283678 0.0436 BFGS: 57 10:11:44 -948.285314 0.0435 BFGS: 58 10:11:45 -948.287936 0.0432 BFGS: 59 10:11:45 -948.290579 0.0429 BFGS: 60 10:11:46 -948.291807 0.0427 BFGS: 61 10:11:46 -948.292160 0.0427 BFGS: 62 10:11:47 -948.292419 0.0426 BFGS: 63 10:11:47 -948.293071 0.0425 BFGS: 64 10:11:48 -948.294494 0.0422 BFGS: 65 10:11:48 -948.297257 0.0414 BFGS: 66 10:11:49 -948.300631 0.0404 BFGS: 67 10:11:49 -948.303803 0.0394 BFGS: 68 10:11:50 -948.306694 0.0384 BFGS: 69 10:11:50 -948.309412 0.0412 BFGS: 70 10:11:50 -948.312413 0.0396 BFGS: 71 10:11:51 -948.315889 0.0351 BFGS: 72 10:11:51 -948.319750 0.0338 BFGS: 73 10:11:52 -948.323833 0.0325 BFGS: 74 10:11:52 -948.327973 0.0313 BFGS: 75 10:11:53 -948.332018 0.0306 BFGS: 76 10:11:53 -948.335851 0.0309 BFGS: 77 10:11:54 -948.339407 0.0310 BFGS: 78 10:11:54 -948.342669 0.0313 BFGS: 79 10:11:55 -948.345671 0.0347 BFGS: 80 10:11:55 -948.348471 0.0377 BFGS: 81 10:11:55 -948.351145 0.0403 BFGS: 82 10:11:56 -948.353763 0.0424 BFGS: 83 10:11:56 -948.356382 0.0440 BFGS: 84 10:11:57 -948.359043 0.0452 BFGS: 85 10:11:57 -948.361768 0.0459 BFGS: 86 10:11:58 -948.364567 0.0462 BFGS: 87 10:11:58 -948.367437 0.0460 BFGS: 88 10:11:59 -948.370361 0.0454 BFGS: 89 10:11:59 -948.373317 0.0442 BFGS: 90 10:12:00 -948.376268 0.0426 BFGS: 91 10:12:00 -948.379166 0.0403 BFGS: 92 10:12:01 -948.381950 0.0374 BFGS: 93 10:12:01 -948.384542 0.0336 BFGS: 94 10:12:02 -948.386845 0.0287 BFGS: 95 10:12:02 -948.388728 0.0217 BFGS: 96 10:12:02 -948.389732 0.0216 BFGS: 97 10:12:03 -948.390990 0.0262 BFGS: 98 10:12:03 -948.392737 0.0276 BFGS: 99 10:12:04 -948.394279 0.0231 BFGS: 100 10:12:04 -948.395677 0.0144 BFGS: 101 10:12:05 -948.396902 0.0047 BFGS: 102 10:12:05 -948.397576 0.0035 BFGS: 103 10:12:06 -948.397935 0.0038 BFGS: 104 10:12:06 -948.398053 0.0037 BFGS: 105 10:12:07 -948.398079 0.0035 BFGS: 106 10:12:07 -948.398152 0.0029 BFGS: 107 10:12:08 -948.398237 0.0025 BFGS: 108 10:12:08 -948.398345 0.0025 BFGS: 109 10:12:08 -948.398395 0.0013 BFGS: 110 10:12:09 -948.398405 0.0010 BFGS: 111 10:12:09 -948.398407 0.0009 BFGS: 112 10:12:10 -948.398410 0.0008 BFGS: 113 10:12:10 -948.398415 0.0006 BFGS: 114 10:12:11 -948.398423 0.0006 BFGS: 115 10:12:11 -948.398428 0.0004 BFGS: 116 10:12:12 -948.398429 0.0001 BFGS: 117 10:12:12 -948.398430 0.0001 BFGS: 118 10:12:12 -948.398430 0.0001 BFGS: 119 10:12:13 -948.398430 0.0001 BFGS: 120 10:12:13 -948.398430 0.0001 BFGS: 121 10:12:14 -948.398430 0.0001 BFGS: 122 10:12:14 -948.398430 0.0000 BFGS: 123 10:12:15 -948.398430 0.0000 BFGS: 124 10:12:15 -948.398430 0.0000 BFGS: 125 10:12:16 -948.398430 0.0000 BFGS: 126 10:12:16 -948.398430 0.0000 BFGS: 127 10:12:16 -948.398430 0.0000 BFGS: 128 10:12:17 -948.398430 0.0000 BFGS: 129 10:12:17 -948.398430 0.0000 BFGS: 130 10:12:18 -948.398430 0.0000 BFGS: 131 10:12:18 -948.398430 0.0000 BFGS: 132 10:12:19 -948.398430 0.0000 BFGS: 133 10:12:19 -948.398430 0.0000 BFGS: 134 10:12:19 -948.398430 0.0000 BFGS: 135 10:12:20 -948.398430 0.0000 BFGS: 136 10:12:20 -948.398430 0.0000 BFGS: 137 10:12:21 -948.398430 0.0000 BFGS: 138 10:12:21 -948.398430 0.0000 BFGS: 139 10:12:22 -948.398430 0.0000 BFGS: 140 10:12:22 -948.398430 0.0000 BFGS: 141 10:12:23 -948.398430 0.0000 BFGS: 142 10:12:23 -948.398430 0.0000 BFGS: 143 10:12:23 -948.398430 0.0000 BFGS: 144 10:12:24 -948.398430 0.0000 BFGS: 145 10:12:24 -948.398430 0.0000 BFGS: 146 10:12:25 -948.398430 0.0000 BFGS: 147 10:12:25 -948.398430 0.0000 BFGS: 148 10:12:26 -948.398430 0.0000 BFGS: 149 10:12:26 -948.398430 0.0000 BFGS: 150 10:12:27 -948.398430 0.0000 BFGS: 151 10:12:27 -948.398430 0.0000 BFGS: 152 10:12:27 -948.398430 0.0000 BFGS: 153 10:12:28 -948.398430 0.0000 BFGS: 154 10:12:28 -948.398430 0.0000 BFGS: 155 10:12:29 -948.398430 0.0000 BFGS: 156 10:12:29 -948.398430 0.0000 BFGS: 157 10:12:30 -948.398430 0.0000 BFGS: 158 10:12:30 -948.398430 0.0000 BFGS: 159 10:12:31 -948.398430 0.0000 BFGS: 160 10:12:31 -948.398430 0.0000 BFGS: 161 10:12:31 -948.398430 0.0000 BFGS: 162 10:12:32 -948.398430 0.0000 BFGS: 163 10:12:32 -948.398430 0.0000 BFGS: 164 10:12:33 -948.398430 0.0000 BFGS: 165 10:12:33 -948.398430 0.0000 BFGS: 166 10:12:34 -948.398430 0.0000 BFGS: 167 10:12:34 -948.398430 0.0000 BFGS: 168 10:12:35 -948.398430 0.0000 BFGS: 169 10:12:35 -948.398430 0.0000 BFGS: 170 10:12:35 -948.398430 0.0000 BFGS: 171 10:12:36 -948.398430 0.0000 BFGS: 172 10:12:36 -948.398430 0.0000 BFGS: 173 10:12:37 -948.398430 0.0000 BFGS: 174 10:12:37 -948.398430 0.0000 BFGS: 175 10:12:38 -948.398430 0.0000 BFGS: 176 10:12:38 -948.398430 0.0000 BFGS: 177 10:12:38 -948.398430 0.0000 BFGS: 178 10:12:39 -948.398430 0.0000 BFGS: 179 10:12:39 -948.398430 0.0000 BFGS: 180 10:12:40 -948.398430 0.0000 BFGS: 181 10:12:40 -948.398430 0.0000 BFGS: 182 10:12:41 -948.398430 0.0000 BFGS: 183 10:12:41 -948.398430 0.0000 BFGS: 184 10:12:42 -948.398430 0.0000 BFGS: 185 10:12:42 -948.398430 0.0000 BFGS: 186 10:12:42 -948.398430 0.0000 BFGS: 187 10:12:43 -948.398430 0.0000 BFGS: 188 10:12:43 -948.398430 0.0000 BFGS: 189 10:12:44 -948.398430 0.0000 BFGS: 190 10:12:44 -948.398430 0.0000 BFGS: 191 10:12:45 -948.398430 0.0000 BFGS: 192 10:12:45 -948.398430 0.0000 BFGS: 193 10:12:45 -948.398430 0.0000 BFGS: 194 10:12:46 -948.398430 0.0000 BFGS: 195 10:12:46 -948.398430 0.0000 BFGS: 196 10:12:47 -948.398430 0.0000 BFGS: 197 10:12:47 -948.398430 0.0000 BFGS: 198 10:12:48 -948.398430 0.0000 BFGS: 199 10:12:48 -948.398430 0.0000 BFGS: 200 10:12:48 -948.398430 0.0000 BFGS: 201 10:12:49 -948.398430 0.0000 BFGS: 202 10:12:49 -948.398430 0.0000 BFGS: 203 10:12:50 -948.398430 0.0000 BFGS: 204 10:12:50 -948.398430 0.0000 BFGS: 205 10:12:51 -948.398430 0.0000 BFGS: 206 10:12:51 -948.398430 0.0000 BFGS: 207 10:12:52 -948.398430 0.0000 BFGS: 208 10:12:52 -948.398430 0.0000 BFGS: 209 10:12:52 -948.398430 0.0000 BFGS: 210 10:12:53 -948.398430 0.0000 BFGS: 211 10:12:53 -948.398430 0.0000 BFGS: 212 10:12:54 -948.398430 0.0000 BFGS: 213 10:12:54 -948.398430 0.0000 BFGS: 214 10:12:55 -948.398430 0.0000 BFGS: 215 10:12:55 -948.398430 0.0000 BFGS: 216 10:12:55 -948.398430 0.0000 BFGS: 217 10:12:56 -948.398430 0.0000 BFGS: 218 10:12:56 -948.398430 0.0000 BFGS: 219 10:12:57 -948.398430 0.0000 BFGS: 220 10:12:57 -948.398430 0.0000 BFGS: 221 10:12:58 -948.398430 0.0000 BFGS: 222 10:12:58 -948.398430 0.0000 BFGS: 223 10:12:59 -948.398430 0.0000 BFGS: 224 10:12:59 -948.398430 0.0000 BFGS: 225 10:13:00 -948.398430 0.0000 BFGS: 226 10:13:00 -948.398430 0.0000 BFGS: 227 10:13:00 -948.398430 0.0000 BFGS: 228 10:13:01 -948.398430 0.0000 BFGS: 229 10:13:01 -948.398430 0.0000 BFGS: 230 10:13:02 -948.398430 0.0000 BFGS: 231 10:13:02 -948.398430 0.0000 BFGS: 232 10:13:03 -948.398430 0.0000 BFGS: 233 10:13:03 -948.398430 0.0000 BFGS: 234 10:13:03 -948.398430 0.0000 BFGS: 235 10:13:04 -948.398430 0.0000 BFGS: 236 10:13:04 -948.398430 0.0000 Minimization converged after 236 steps. Maximum force component: 5.739429042407119e-09 eV/Angstrom Maximum stress component: 5.8830141145349406e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.80052554 0.80052554 0.80052554] [0.19947446 0.19947446 0.80052554] [0.19947446 0.80052554 0.19947446] ... [0.07440316 0.75 0.75 ] [0.07440316 0.25 0.25 ] [0.92559684 0.75 0.25 ]] cellpar = Cell([[18.654757001472827, -5.896418342636336e-33, -5.707925281151283e-33], [-1.8453319036451774e-32, 18.654757001472827, 1.0130165901627717e-19], [5.494095534031054e-33, 1.013016590162756e-19, 18.654757001472827]]) forces = [[ 5.03309132e-09 5.03309132e-09 5.03309132e-09] [-5.03309132e-09 -5.03309132e-09 5.03309132e-09] [-5.03309132e-09 5.03309132e-09 -5.03309132e-09] ... [-2.84395356e-09 9.58073470e-31 -4.21552327e-30] [-2.84395356e-09 -5.36521143e-31 3.83229388e-30] [ 2.84395356e-09 3.00835069e-30 4.80952882e-30]] stress = [-5.88301411e-12 -5.88301411e-12 -5.88301411e-12 -1.25844712e-29 -5.86693814e-61 4.49725482e-61] energy per atom = -2.279803918225837 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0