element(s): ['Si'] AFLOW prototype label: A_mC164_15_e20f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', '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', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.5153', '0.59626185', '0.38807304', '85.6678', '0.5018589', '0.68877825', '0.96352682', '0.39618647', '0.85290647', '0.066655781', '0.19885487', '0.85161909', '0.93394953', '0.32543919', '0.90872025', '0.95961914', '0.50215183', '0.39194115', '0.3160815', '0.19689941', '0.45947298', '0.2475486', '0.3176402', '0.2268061', '0.13306616', '0.35835738', '0.74433636', '0.76915545', '0.24636872', '0.32359862', '0.22635453', '0.12155393', '0.30617288', '0.092719903', '0.23378721', '0.44585184', '0.099109512', '0.39907312', '0.76670646', '0.88208696', '0.40378522', '0.46313645', '0.74291846', '0.18744694', '0.52487726', '0.65186183', '0.50503416', '0.39433722', '0.67549036', '0.32193311', '0.43434955', '0.610825', '0.50714113', '0.55091352', '0.89443078', '0.35966828', '0.33102234', '0.78459971', '0.3807846', '0.36635198', '0.90960313', '0.26587063', '0.36114403', '0.039715317', '0.39377295'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.4981411 0.25 ] [0.31122175 0.96352682 0.60381353] [0.14709353 0.06665578 0.80114513] [0.14838091 0.93394953 0.67456081] [0.09127975 0.95961914 0.49784817] [0.60805885 0.3160815 0.80310059] [0.54052702 0.2475486 0.6823598 ] [0.7731939 0.13306616 0.64164262] [0.25566364 0.76915545 0.75363128] [0.67640138 0.22635453 0.87844607] [0.69382712 0.0927199 0.76621279] [0.55414816 0.09910951 0.60092688] [0.23329354 0.88208696 0.59621478] [0.53686355 0.74291846 0.81255306] [0.47512274 0.65186183 0.49496584] [0.60566278 0.67549036 0.67806689] [0.56565045 0.610825 0.49285887] [0.44908648 0.89443078 0.64033172] [0.66897766 0.78459971 0.6192154 ] [0.63364802 0.90960313 0.73412937] [0.63885597 0.03971532 0.60622705]] spacegroup = 15 cell = [[25.5153, 0, 0], [0, 15.2138, 0], [0.74797334784504, 0, 9.8735089563394]] ========================================= Step Time Energy fmax BFGS: 0 16:09:53 -719.974988 2.5743 BFGS: 1 16:09:53 -721.818214 1.3309 BFGS: 2 16:09:53 -722.976752 0.7449 BFGS: 3 16:09:54 -723.304280 0.6873 BFGS: 4 16:09:54 -723.798488 0.6397 BFGS: 5 16:09:54 -724.009708 0.3794 BFGS: 6 16:09:54 -724.225763 0.3515 BFGS: 7 16:09:55 -724.336812 0.3337 BFGS: 8 16:09:55 -724.567069 0.3701 BFGS: 9 16:09:55 -724.671685 0.3300 BFGS: 10 16:09:55 -724.762656 0.3395 BFGS: 11 16:09:56 -724.834833 0.3501 BFGS: 12 16:09:56 -724.907909 0.3626 BFGS: 13 16:09:56 -724.959799 0.3709 BFGS: 14 16:09:56 -724.990271 0.3719 BFGS: 15 16:09:56 -725.009934 0.3682 BFGS: 16 16:09:57 -725.030672 0.3606 BFGS: 17 16:09:57 -725.052924 0.3498 BFGS: 18 16:09:57 -725.074084 0.3389 BFGS: 19 16:09:57 -725.093861 0.3298 BFGS: 20 16:09:58 -725.113271 0.3221 BFGS: 21 16:09:58 -725.132586 0.3151 BFGS: 22 16:09:59 -725.151909 0.3084 BFGS: 23 16:10:00 -725.171257 0.3017 BFGS: 24 16:10:00 -725.190596 0.2949 BFGS: 25 16:10:01 -725.209867 0.2880 BFGS: 26 16:10:02 -725.229002 0.2810 BFGS: 27 16:10:03 -725.247939 0.2738 BFGS: 28 16:10:03 -725.266623 0.2665 BFGS: 29 16:10:04 -725.285006 0.2590 BFGS: 30 16:10:05 -725.303048 0.2514 BFGS: 31 16:10:05 -725.320713 0.2437 BFGS: 32 16:10:06 -725.337972 0.2359 BFGS: 33 16:10:07 -725.354799 0.2279 BFGS: 34 16:10:08 -725.371169 0.2199 BFGS: 35 16:10:08 -725.387060 0.2117 BFGS: 36 16:10:09 -725.402451 0.2035 BFGS: 37 16:10:10 -725.417323 0.1951 BFGS: 38 16:10:10 -725.431651 0.1867 BFGS: 39 16:10:11 -725.445416 0.1782 BFGS: 40 16:10:12 -725.458596 0.1696 BFGS: 41 16:10:12 -725.471168 0.1609 BFGS: 42 16:10:13 -725.483112 0.1521 BFGS: 43 16:10:13 -725.494404 0.1433 BFGS: 44 16:10:14 -725.505022 0.1344 BFGS: 45 16:10:14 -725.514936 0.1253 BFGS: 46 16:10:15 -725.524074 0.1158 BFGS: 47 16:10:16 -725.532420 0.1062 BFGS: 48 16:10:17 -725.539974 0.0966 BFGS: 49 16:10:17 -725.546725 0.0868 BFGS: 50 16:10:18 -725.552657 0.0769 BFGS: 51 16:10:19 -725.557767 0.0806 BFGS: 52 16:10:19 -725.562079 0.0847 BFGS: 53 16:10:20 -725.565696 0.0884 BFGS: 54 16:10:21 -725.568707 0.0903 BFGS: 55 16:10:21 -725.571519 0.0888 BFGS: 56 16:10:22 -725.576125 0.0819 BFGS: 57 16:10:23 -725.578956 0.0749 BFGS: 58 16:10:23 -725.580854 0.0705 BFGS: 59 16:10:24 -725.582883 0.0688 BFGS: 60 16:10:24 -725.586509 0.0702 BFGS: 61 16:10:24 -725.590700 0.0757 BFGS: 62 16:10:25 -725.593620 0.0809 BFGS: 63 16:10:25 -725.596135 0.0861 BFGS: 64 16:10:25 -725.598398 0.0911 BFGS: 65 16:10:26 -725.600519 0.0960 BFGS: 66 16:10:27 -725.602665 0.1007 BFGS: 67 16:10:28 -725.605083 0.1052 BFGS: 68 16:10:28 -725.608101 0.1095 BFGS: 69 16:10:28 -725.612165 0.1132 BFGS: 70 16:10:29 -725.617174 0.1156 BFGS: 71 16:10:29 -725.621887 0.1157 BFGS: 72 16:10:30 -725.626632 0.1147 BFGS: 73 16:10:31 -725.631457 0.1134 BFGS: 74 16:10:31 -725.636399 0.1128 BFGS: 75 16:10:32 -725.641681 0.1133 BFGS: 76 16:10:33 -725.647297 0.1151 BFGS: 77 16:10:33 -725.653025 0.1178 BFGS: 78 16:10:33 -725.658132 0.1204 BFGS: 79 16:10:33 -725.663070 0.1229 BFGS: 80 16:10:33 -725.668019 0.1254 BFGS: 81 16:10:34 -725.673009 0.1279 BFGS: 82 16:10:34 -725.677953 0.1304 BFGS: 83 16:10:34 -725.682705 0.1330 BFGS: 84 16:10:34 -725.687162 0.1356 BFGS: 85 16:10:34 -725.691323 0.1379 BFGS: 86 16:10:34 -725.695300 0.1396 BFGS: 87 16:10:34 -725.699421 0.1402 BFGS: 88 16:10:35 -725.703971 0.1388 BFGS: 89 16:10:35 -725.709558 0.1336 BFGS: 90 16:10:35 -725.714863 0.1261 BFGS: 91 16:10:35 -725.720478 0.1173 BFGS: 92 16:10:35 -725.726252 0.1080 BFGS: 93 16:10:35 -725.731976 0.0989 BFGS: 94 16:10:36 -725.737615 0.0903 BFGS: 95 16:10:36 -725.743244 0.0824 BFGS: 96 16:10:36 -725.748925 0.0751 BFGS: 97 16:10:36 -725.754617 0.0714 BFGS: 98 16:10:36 -725.760483 0.0710 BFGS: 99 16:10:36 -725.766398 0.0695 BFGS: 100 16:10:37 -725.772407 0.0670 BFGS: 101 16:10:37 -725.778358 0.0637 BFGS: 102 16:10:37 -725.784101 0.0599 BFGS: 103 16:10:37 -725.789336 0.0558 BFGS: 104 16:10:37 -725.794305 0.0515 BFGS: 105 16:10:37 -725.798928 0.0509 BFGS: 106 16:10:38 -725.803413 0.0508 BFGS: 107 16:10:38 -725.807597 0.0511 BFGS: 108 16:10:38 -725.811737 0.0504 BFGS: 109 16:10:38 -725.815544 0.0503 BFGS: 110 16:10:38 -725.819431 0.0484 BFGS: 111 16:10:38 -725.822860 0.0481 BFGS: 112 16:10:38 -725.826573 0.0443 BFGS: 113 16:10:39 -725.829599 0.0442 BFGS: 114 16:10:39 -725.833103 0.0391 BFGS: 115 16:10:39 -725.835820 0.0379 BFGS: 116 16:10:39 -725.838872 0.0363 BFGS: 117 16:10:39 -725.841369 0.0353 BFGS: 118 16:10:39 -725.843869 0.0361 BFGS: 119 16:10:40 -725.846061 0.0356 BFGS: 120 16:10:40 -725.848238 0.0334 BFGS: 121 16:10:40 -725.850227 0.0278 BFGS: 122 16:10:40 -725.851495 0.0271 BFGS: 123 16:10:40 -725.852721 0.0270 BFGS: 124 16:10:40 -725.853355 0.0269 BFGS: 125 16:10:41 -725.853696 0.0266 BFGS: 126 16:10:41 -725.854012 0.0263 BFGS: 127 16:10:41 -725.854360 0.0260 BFGS: 128 16:10:42 -725.854587 0.0259 BFGS: 129 16:10:43 -725.854700 0.0258 BFGS: 130 16:10:43 -725.854791 0.0258 BFGS: 131 16:10:44 -725.854936 0.0257 BFGS: 132 16:10:45 -725.855139 0.0255 BFGS: 133 16:10:46 -725.855355 0.0250 BFGS: 134 16:10:46 -725.855550 0.0245 BFGS: 135 16:10:47 -725.855773 0.0238 BFGS: 136 16:10:48 -725.856121 0.0227 BFGS: 137 16:10:49 -725.856684 0.0209 BFGS: 138 16:10:49 -725.857429 0.0193 BFGS: 139 16:10:50 -725.858192 0.0240 BFGS: 140 16:10:50 -725.858915 0.0225 BFGS: 141 16:10:51 -725.859681 0.0193 BFGS: 142 16:10:51 -725.860478 0.0187 BFGS: 143 16:10:52 -725.861124 0.0173 BFGS: 144 16:10:53 -725.861501 0.0151 BFGS: 145 16:10:53 -725.861724 0.0112 BFGS: 146 16:10:54 -725.861913 0.0066 BFGS: 147 16:10:54 -725.862052 0.0069 BFGS: 148 16:10:55 -725.862115 0.0046 BFGS: 149 16:10:56 -725.862138 0.0031 BFGS: 150 16:10:56 -725.862151 0.0023 BFGS: 151 16:10:57 -725.862162 0.0030 BFGS: 152 16:10:57 -725.862172 0.0028 BFGS: 153 16:10:58 -725.862180 0.0018 BFGS: 154 16:10:58 -725.862187 0.0016 BFGS: 155 16:10:59 -725.862192 0.0013 BFGS: 156 16:10:59 -725.862195 0.0014 BFGS: 157 16:11:00 -725.862197 0.0013 BFGS: 158 16:11:00 -725.862199 0.0011 BFGS: 159 16:11:01 -725.862201 0.0010 BFGS: 160 16:11:02 -725.862202 0.0008 BFGS: 161 16:11:02 -725.862203 0.0006 BFGS: 162 16:11:03 -725.862203 0.0004 BFGS: 163 16:11:04 -725.862204 0.0004 BFGS: 164 16:11:04 -725.862204 0.0004 BFGS: 165 16:11:05 -725.862204 0.0004 BFGS: 166 16:11:06 -725.862204 0.0004 BFGS: 167 16:11:06 -725.862204 0.0004 BFGS: 168 16:11:07 -725.862204 0.0004 BFGS: 169 16:11:08 -725.862204 0.0004 BFGS: 170 16:11:08 -725.862204 0.0004 BFGS: 171 16:11:09 -725.862204 0.0004 BFGS: 172 16:11:09 -725.862204 0.0004 BFGS: 173 16:11:10 -725.862204 0.0003 BFGS: 174 16:11:10 -725.862204 0.0003 BFGS: 175 16:11:10 -725.862204 0.0003 BFGS: 176 16:11:10 -725.862204 0.0003 BFGS: 177 16:11:11 -725.862204 0.0003 BFGS: 178 16:11:11 -725.862204 0.0003 BFGS: 179 16:11:11 -725.862204 0.0003 BFGS: 180 16:11:11 -725.862205 0.0003 BFGS: 181 16:11:12 -725.862205 0.0003 BFGS: 182 16:11:13 -725.862205 0.0002 BFGS: 183 16:11:13 -725.862205 0.0002 BFGS: 184 16:11:14 -725.862205 0.0002 BFGS: 185 16:11:14 -725.862205 0.0002 BFGS: 186 16:11:15 -725.862205 0.0002 BFGS: 187 16:11:15 -725.862205 0.0002 BFGS: 188 16:11:16 -725.862205 0.0002 BFGS: 189 16:11:16 -725.862205 0.0002 BFGS: 190 16:11:16 -725.862205 0.0001 BFGS: 191 16:11:17 -725.862205 0.0001 BFGS: 192 16:11:17 -725.862205 0.0001 BFGS: 193 16:11:18 -725.862205 0.0001 BFGS: 194 16:11:18 -725.862205 0.0000 BFGS: 195 16:11:18 -725.862205 0.0000 BFGS: 196 16:11:19 -725.862205 0.0000 BFGS: 197 16:11:19 -725.862205 0.0000 BFGS: 198 16:11:19 -725.862205 0.0000 BFGS: 199 16:11:19 -725.862205 0.0000 BFGS: 200 16:11:19 -725.862205 0.0000 BFGS: 201 16:11:19 -725.862205 0.0000 BFGS: 202 16:11:20 -725.862205 0.0000 BFGS: 203 16:11:20 -725.862205 0.0000 BFGS: 204 16:11:20 -725.862205 0.0000 BFGS: 205 16:11:20 -725.862205 0.0000 BFGS: 206 16:11:21 -725.862205 0.0000 BFGS: 207 16:11:21 -725.862205 0.0000 BFGS: 208 16:11:21 -725.862205 0.0000 BFGS: 209 16:11:21 -725.862205 0.0000 BFGS: 210 16:11:22 -725.862205 0.0000 BFGS: 211 16:11:22 -725.862205 0.0000 BFGS: 212 16:11:22 -725.862205 0.0000 BFGS: 213 16:11:22 -725.862205 0.0000 BFGS: 214 16:11:23 -725.862205 0.0000 BFGS: 215 16:11:23 -725.862205 0.0000 BFGS: 216 16:11:24 -725.862205 0.0000 BFGS: 217 16:11:24 -725.862205 0.0000 BFGS: 218 16:11:24 -725.862205 0.0000 BFGS: 219 16:11:24 -725.862205 0.0000 BFGS: 220 16:11:25 -725.862205 0.0000 BFGS: 221 16:11:25 -725.862205 0.0000 BFGS: 222 16:11:25 -725.862205 0.0000 BFGS: 223 16:11:25 -725.862205 0.0000 BFGS: 224 16:11:26 -725.862205 0.0000 BFGS: 225 16:11:26 -725.862205 0.0000 BFGS: 226 16:11:26 -725.862205 0.0000 BFGS: 227 16:11:27 -725.862205 0.0000 BFGS: 228 16:11:27 -725.862205 0.0000 BFGS: 229 16:11:27 -725.862205 0.0000 BFGS: 230 16:11:27 -725.862205 0.0000 BFGS: 231 16:11:28 -725.862205 0.0000 BFGS: 232 16:11:28 -725.862205 0.0000 BFGS: 233 16:11:28 -725.862205 0.0000 BFGS: 234 16:11:28 -725.862205 0.0000 BFGS: 235 16:11:28 -725.862205 0.0000 BFGS: 236 16:11:29 -725.862205 0.0000 BFGS: 237 16:11:29 -725.862205 0.0000 BFGS: 238 16:11:29 -725.862205 0.0000 BFGS: 239 16:11:29 -725.862205 0.0000 BFGS: 240 16:11:30 -725.862205 0.0000 BFGS: 241 16:11:30 -725.862205 0.0000 BFGS: 242 16:11:30 -725.862205 0.0000 BFGS: 243 16:11:30 -725.862205 0.0000 BFGS: 244 16:11:31 -725.862205 0.0000 BFGS: 245 16:11:31 -725.862205 0.0000 BFGS: 246 16:11:31 -725.862205 0.0000 BFGS: 247 16:11:31 -725.862205 0.0000 BFGS: 248 16:11:31 -725.862205 0.0000 BFGS: 249 16:11:31 -725.862205 0.0000 BFGS: 250 16:11:32 -725.862205 0.0000 Minimization converged after 250 steps. Maximum force component: 9.650505402127637e-09 eV/Angstrom Maximum stress component: 3.1312675732782095e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', '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', 'Si', 'Si', 'Si', 'Si'] basis = [[1.07816731e-17 5.00141418e-01 2.50000000e-01] [5.00000000e-01 1.41418092e-04 2.50000000e-01] [0.00000000e+00 4.99858582e-01 7.50000000e-01] [5.00000000e-01 9.99858582e-01 7.50000000e-01] [3.14398733e-01 9.63959507e-01 5.84655554e-01] [6.85601267e-01 9.63959507e-01 9.15344446e-01] [8.14398733e-01 4.63959507e-01 5.84655554e-01] [1.85601267e-01 4.63959507e-01 9.15344446e-01] [6.85601267e-01 3.60404932e-02 4.15344446e-01] [3.14398733e-01 3.60404932e-02 8.46555544e-02] [1.85601267e-01 5.36040493e-01 4.15344446e-01] [8.14398733e-01 5.36040493e-01 8.46555544e-02] [1.48273301e-01 6.52482718e-02 7.84877034e-01] [8.51726699e-01 6.52482718e-02 7.15122966e-01] [6.48273301e-01 5.65248272e-01 7.84877034e-01] [3.51726699e-01 5.65248272e-01 7.15122966e-01] [8.51726699e-01 9.34751728e-01 2.15122966e-01] [1.48273301e-01 9.34751728e-01 2.84877034e-01] [3.51726699e-01 4.34751728e-01 2.15122966e-01] [6.48273301e-01 4.34751728e-01 2.84877034e-01] [1.50559189e-01 9.29394370e-01 6.57239006e-01] [8.49440811e-01 9.29394370e-01 8.42760994e-01] [6.50559189e-01 4.29394370e-01 6.57239006e-01] [3.49440811e-01 4.29394370e-01 8.42760994e-01] [8.49440811e-01 7.06056297e-02 3.42760994e-01] [1.50559189e-01 7.06056297e-02 1.57239006e-01] [3.49440811e-01 5.70605630e-01 3.42760994e-01] [6.50559189e-01 5.70605630e-01 1.57239006e-01] [9.20320413e-02 9.58720892e-01 4.84828398e-01] [9.07967959e-01 9.58720892e-01 1.51716021e-02] [5.92032041e-01 4.58720892e-01 4.84828398e-01] [4.07967959e-01 4.58720892e-01 1.51716021e-02] [9.07967959e-01 4.12791081e-02 5.15171602e-01] [9.20320413e-02 4.12791081e-02 9.84828398e-01] [4.07967959e-01 5.41279108e-01 5.15171602e-01] [5.92032041e-01 5.41279108e-01 9.84828398e-01] [6.10113559e-01 3.10612756e-01 7.91805774e-01] [3.89886441e-01 3.10612756e-01 7.08194226e-01] [1.10113559e-01 8.10612756e-01 7.91805774e-01] [8.89886441e-01 8.10612756e-01 7.08194226e-01] [3.89886441e-01 6.89387244e-01 2.08194226e-01] [6.10113559e-01 6.89387244e-01 2.91805774e-01] [8.89886441e-01 1.89387244e-01 2.08194226e-01] [1.10113559e-01 1.89387244e-01 2.91805774e-01] [5.39842715e-01 2.48057579e-01 6.80909740e-01] [4.60157285e-01 2.48057579e-01 8.19090260e-01] [3.98427146e-02 7.48057579e-01 6.80909740e-01] [9.60157285e-01 7.48057579e-01 8.19090260e-01] [4.60157285e-01 7.51942421e-01 3.19090260e-01] [5.39842715e-01 7.51942421e-01 1.80909740e-01] [9.60157285e-01 2.51942421e-01 3.19090260e-01] [3.98427146e-02 2.51942421e-01 1.80909740e-01] [7.71694160e-01 1.25489771e-01 6.58410315e-01] [2.28305840e-01 1.25489771e-01 8.41589685e-01] [2.71694160e-01 6.25489771e-01 6.58410315e-01] [7.28305840e-01 6.25489771e-01 8.41589685e-01] [2.28305840e-01 8.74510229e-01 3.41589685e-01] [7.71694160e-01 8.74510229e-01 1.58410315e-01] [7.28305840e-01 3.74510229e-01 3.41589685e-01] [2.71694160e-01 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[-1.02692258e-10 -2.27569270e-09 -3.05527047e-09] [ 1.02692258e-10 -2.27569270e-09 3.05527047e-09] [-1.02692258e-10 -2.27569270e-09 -3.05527047e-09] [-6.27764775e-10 -6.62590647e-10 1.92520778e-09] [ 6.27764775e-10 -6.62590647e-10 -1.92520778e-09] [-6.27764775e-10 -6.62590647e-10 1.92520778e-09] [ 6.27764775e-10 -6.62590647e-10 -1.92520778e-09] [ 6.27764775e-10 6.62590647e-10 -1.92520778e-09] [-6.27764775e-10 6.62590647e-10 1.92520778e-09] [ 6.27764775e-10 6.62590647e-10 -1.92520778e-09] [-6.27764775e-10 6.62590647e-10 1.92520778e-09] [-2.33924157e-09 -1.49441429e-09 -3.81171100e-09] [ 2.33924157e-09 -1.49441429e-09 3.81171100e-09] [-2.33924157e-09 -1.49441429e-09 -3.81171100e-09] [ 2.33924157e-09 -1.49441429e-09 3.81171100e-09] [ 2.33924157e-09 1.49441429e-09 3.81171100e-09] [-2.33924157e-09 1.49441429e-09 -3.81171100e-09] [ 2.33924157e-09 1.49441429e-09 3.81171100e-09] [-2.33924157e-09 1.49441429e-09 -3.81171100e-09] [-1.76673207e-09 3.15978308e-09 -1.55615495e-09] [ 1.76673207e-09 3.15978308e-09 1.55615495e-09] [-1.76673207e-09 3.15978308e-09 -1.55615495e-09] [ 1.76673207e-09 3.15978308e-09 1.55615495e-09] [ 1.76673207e-09 -3.15978308e-09 1.55615495e-09] [-1.76673207e-09 -3.15978308e-09 -1.55615495e-09] [ 1.76673207e-09 -3.15978308e-09 1.55615495e-09] [-1.76673207e-09 -3.15978308e-09 -1.55615495e-09] [ 2.17560262e-10 4.65137648e-09 -3.55998619e-09] [-2.17560262e-10 4.65137648e-09 3.55998619e-09] [ 2.17560262e-10 4.65137648e-09 -3.55998619e-09] [-2.17560262e-10 4.65137648e-09 3.55998619e-09] [-2.17560262e-10 -4.65137648e-09 3.55998619e-09] [ 2.17560262e-10 -4.65137648e-09 -3.55998619e-09] [-2.17560262e-10 -4.65137648e-09 3.55998619e-09] [ 2.17560262e-10 -4.65137648e-09 -3.55998619e-09] [ 4.71825731e-09 2.79951090e-09 4.91676000e-09] [-4.71825731e-09 2.79951090e-09 -4.91676000e-09] [ 4.71825731e-09 2.79951090e-09 4.91676000e-09] [-4.71825731e-09 2.79951090e-09 -4.91676000e-09] [-4.71825731e-09 -2.79951090e-09 -4.91676000e-09] [ 4.71825731e-09 -2.79951090e-09 4.91676000e-09] [-4.71825731e-09 -2.79951090e-09 -4.91676000e-09] [ 4.71825731e-09 -2.79951090e-09 4.91676000e-09] [ 3.22522046e-10 4.44522820e-10 5.01748439e-09] [-3.22522046e-10 4.44522820e-10 -5.01748439e-09] [ 3.22522046e-10 4.44522820e-10 5.01748439e-09] [-3.22522046e-10 4.44522820e-10 -5.01748439e-09] [-3.22522046e-10 -4.44522820e-10 -5.01748439e-09] [ 3.22522046e-10 -4.44522820e-10 5.01748439e-09] [-3.22522046e-10 -4.44522820e-10 -5.01748439e-09] [ 3.22522046e-10 -4.44522820e-10 5.01748439e-09] [ 2.07090879e-09 -1.92355252e-10 6.98925103e-09] [-2.07090879e-09 -1.92355252e-10 -6.98925103e-09] [ 2.07090879e-09 -1.92355252e-10 6.98925103e-09] [-2.07090879e-09 -1.92355252e-10 -6.98925103e-09] [-2.07090879e-09 1.92355252e-10 -6.98925103e-09] [ 2.07090879e-09 1.92355252e-10 6.98925103e-09] [-2.07090879e-09 1.92355252e-10 -6.98925103e-09] [ 2.07090879e-09 1.92355252e-10 6.98925103e-09] [-1.90409882e-10 -3.55166329e-09 -1.68996894e-09] [ 1.90409882e-10 -3.55166329e-09 1.68996894e-09] [-1.90409882e-10 -3.55166329e-09 -1.68996894e-09] [ 1.90409882e-10 -3.55166329e-09 1.68996894e-09] [ 1.90409882e-10 3.55166329e-09 1.68996894e-09] [-1.90409882e-10 3.55166329e-09 -1.68996894e-09] [ 1.90409882e-10 3.55166329e-09 1.68996894e-09] [-1.90409882e-10 3.55166329e-09 -1.68996894e-09]] stress = [-1.47284476e-11 2.41481457e-11 -5.28108812e-12 -3.43253865e-31 -3.13126757e-11 -2.53623168e-31] energy per atom = -4.425989055926344 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0