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_DuLenoskyHennig_2011_Si__MO_883726743759_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 16:09:47 -734.006830 0.4694 BFGS: 1 16:09:48 -734.113391 0.4409 BFGS: 2 16:09:48 -734.345741 0.4354 BFGS: 3 16:09:48 -734.373584 0.4342 BFGS: 4 16:09:49 -734.460956 0.4244 BFGS: 5 16:09:49 -734.507170 0.4183 BFGS: 6 16:09:49 -734.551698 0.4126 BFGS: 7 16:09:49 -734.602230 0.4048 BFGS: 8 16:09:49 -734.653008 0.3950 BFGS: 9 16:09:49 -734.704771 0.3843 BFGS: 10 16:09:49 -734.755606 0.3737 BFGS: 11 16:09:50 -734.803671 0.3632 BFGS: 12 16:09:50 -734.848863 0.3529 BFGS: 13 16:09:50 -734.891454 0.3427 BFGS: 14 16:09:50 -734.931934 0.3326 BFGS: 15 16:09:50 -734.970764 0.3225 BFGS: 16 16:09:50 -735.007985 0.3114 BFGS: 17 16:09:50 -735.045201 0.3007 BFGS: 18 16:09:50 -735.081771 0.2903 BFGS: 19 16:09:50 -735.117668 0.2802 BFGS: 20 16:09:51 -735.152939 0.2703 BFGS: 21 16:09:51 -735.187661 0.2607 BFGS: 22 16:09:51 -735.221898 0.2628 BFGS: 23 16:09:51 -735.255683 0.2647 BFGS: 24 16:09:51 -735.289021 0.2639 BFGS: 25 16:09:51 -735.321902 0.2610 BFGS: 26 16:09:51 -735.354299 0.2562 BFGS: 27 16:09:52 -735.386172 0.2497 BFGS: 28 16:09:52 -735.417476 0.2418 BFGS: 29 16:09:52 -735.448153 0.2326 BFGS: 30 16:09:53 -735.478135 0.2223 BFGS: 31 16:09:53 -735.507332 0.2107 BFGS: 32 16:09:54 -735.535998 0.1975 BFGS: 33 16:09:55 -735.564077 0.1834 BFGS: 34 16:09:55 -735.591411 0.1686 BFGS: 35 16:09:55 -735.617866 0.1580 BFGS: 36 16:09:55 -735.643327 0.1523 BFGS: 37 16:09:55 -735.667704 0.1456 BFGS: 38 16:09:56 -735.690917 0.1381 BFGS: 39 16:09:56 -735.712906 0.1300 BFGS: 40 16:09:57 -735.733573 0.1154 BFGS: 41 16:09:58 -735.752696 0.1034 BFGS: 42 16:09:59 -735.770226 0.0972 BFGS: 43 16:09:59 -735.786169 0.0923 BFGS: 44 16:10:00 -735.800559 0.0861 BFGS: 45 16:10:01 -735.813468 0.0784 BFGS: 46 16:10:01 -735.825057 0.0689 BFGS: 47 16:10:02 -735.835690 0.0695 BFGS: 48 16:10:03 -735.846330 0.0783 BFGS: 49 16:10:04 -735.856140 0.0809 BFGS: 50 16:10:04 -735.869222 0.0795 BFGS: 51 16:10:05 -735.880773 0.0655 BFGS: 52 16:10:06 -735.887013 0.0570 BFGS: 53 16:10:06 -735.891039 0.0474 BFGS: 54 16:10:07 -735.895833 0.0464 BFGS: 55 16:10:07 -735.901278 0.0396 BFGS: 56 16:10:08 -735.904737 0.0338 BFGS: 57 16:10:09 -735.906701 0.0300 BFGS: 58 16:10:09 -735.907745 0.0324 BFGS: 59 16:10:10 -735.909282 0.0324 BFGS: 60 16:10:10 -735.910651 0.0291 BFGS: 61 16:10:11 -735.911548 0.0267 BFGS: 62 16:10:12 -735.911984 0.0283 BFGS: 63 16:10:12 -735.912348 0.0288 BFGS: 64 16:10:13 -735.912748 0.0283 BFGS: 65 16:10:13 -735.913080 0.0268 BFGS: 66 16:10:14 -735.913299 0.0260 BFGS: 67 16:10:14 -735.913487 0.0267 BFGS: 68 16:10:15 -735.913732 0.0267 BFGS: 69 16:10:16 -735.914048 0.0257 BFGS: 70 16:10:17 -735.914389 0.0238 BFGS: 71 16:10:17 -735.914710 0.0241 BFGS: 72 16:10:17 -735.915014 0.0248 BFGS: 73 16:10:18 -735.915303 0.0251 BFGS: 74 16:10:18 -735.915570 0.0246 BFGS: 75 16:10:19 -735.915840 0.0236 BFGS: 76 16:10:19 -735.916184 0.0228 BFGS: 77 16:10:20 -735.916653 0.0230 BFGS: 78 16:10:20 -735.917194 0.0221 BFGS: 79 16:10:21 -735.917691 0.0228 BFGS: 80 16:10:21 -735.918129 0.0242 BFGS: 81 16:10:22 -735.918594 0.0202 BFGS: 82 16:10:22 -735.919135 0.0175 BFGS: 83 16:10:23 -735.919690 0.0171 BFGS: 84 16:10:24 -735.920213 0.0205 BFGS: 85 16:10:24 -735.920767 0.0203 BFGS: 86 16:10:25 -735.921436 0.0180 BFGS: 87 16:10:25 -735.922169 0.0196 BFGS: 88 16:10:26 -735.922806 0.0217 BFGS: 89 16:10:27 -735.923300 0.0226 BFGS: 90 16:10:27 -735.923743 0.0187 BFGS: 91 16:10:28 -735.924186 0.0139 BFGS: 92 16:10:28 -735.924579 0.0151 BFGS: 93 16:10:29 -735.924895 0.0146 BFGS: 94 16:10:29 -735.925176 0.0118 BFGS: 95 16:10:30 -735.925448 0.0102 BFGS: 96 16:10:30 -735.925668 0.0111 BFGS: 97 16:10:31 -735.925806 0.0094 BFGS: 98 16:10:31 -735.925890 0.0067 BFGS: 99 16:10:32 -735.925950 0.0040 BFGS: 100 16:10:33 -735.925993 0.0040 BFGS: 101 16:10:34 -735.926022 0.0039 BFGS: 102 16:10:34 -735.926047 0.0033 BFGS: 103 16:10:35 -735.926072 0.0035 BFGS: 104 16:10:36 -735.926092 0.0029 BFGS: 105 16:10:36 -735.926107 0.0027 BFGS: 106 16:10:37 -735.926117 0.0028 BFGS: 107 16:10:37 -735.926126 0.0026 BFGS: 108 16:10:38 -735.926133 0.0025 BFGS: 109 16:10:39 -735.926140 0.0025 BFGS: 110 16:10:39 -735.926146 0.0024 BFGS: 111 16:10:40 -735.926152 0.0022 BFGS: 112 16:10:40 -735.926157 0.0022 BFGS: 113 16:10:41 -735.926160 0.0023 BFGS: 114 16:10:41 -735.926161 0.0023 BFGS: 115 16:10:42 -735.926163 0.0024 BFGS: 116 16:10:42 -735.926165 0.0024 BFGS: 117 16:10:43 -735.926167 0.0023 BFGS: 118 16:10:43 -735.926169 0.0022 BFGS: 119 16:10:44 -735.926170 0.0021 BFGS: 120 16:10:45 -735.926171 0.0020 BFGS: 121 16:10:45 -735.926172 0.0020 BFGS: 122 16:10:46 -735.926173 0.0020 BFGS: 123 16:10:47 -735.926174 0.0020 BFGS: 124 16:10:47 -735.926176 0.0020 BFGS: 125 16:10:48 -735.926178 0.0019 BFGS: 126 16:10:48 -735.926181 0.0018 BFGS: 127 16:10:48 -735.926184 0.0017 BFGS: 128 16:10:49 -735.926188 0.0016 BFGS: 129 16:10:49 -735.926193 0.0015 BFGS: 130 16:10:50 -735.926199 0.0015 BFGS: 131 16:10:50 -735.926205 0.0016 BFGS: 132 16:10:51 -735.926210 0.0016 BFGS: 133 16:10:51 -735.926216 0.0016 BFGS: 134 16:10:52 -735.926223 0.0018 BFGS: 135 16:10:52 -735.926230 0.0018 BFGS: 136 16:10:53 -735.926236 0.0015 BFGS: 137 16:10:53 -735.926240 0.0014 BFGS: 138 16:10:54 -735.926243 0.0013 BFGS: 139 16:10:54 -735.926245 0.0011 BFGS: 140 16:10:55 -735.926247 0.0009 BFGS: 141 16:10:56 -735.926248 0.0006 BFGS: 142 16:10:56 -735.926248 0.0004 BFGS: 143 16:10:57 -735.926249 0.0005 BFGS: 144 16:10:57 -735.926249 0.0004 BFGS: 145 16:10:58 -735.926249 0.0002 BFGS: 146 16:10:58 -735.926249 0.0003 BFGS: 147 16:10:59 -735.926249 0.0003 BFGS: 148 16:10:59 -735.926249 0.0002 BFGS: 149 16:11:00 -735.926249 0.0001 BFGS: 150 16:11:00 -735.926249 0.0001 BFGS: 151 16:11:00 -735.926249 0.0001 BFGS: 152 16:11:00 -735.926249 0.0001 BFGS: 153 16:11:00 -735.926249 0.0001 BFGS: 154 16:11:00 -735.926249 0.0001 BFGS: 155 16:11:01 -735.926250 0.0001 BFGS: 156 16:11:01 -735.926250 0.0001 BFGS: 157 16:11:02 -735.926250 0.0001 BFGS: 158 16:11:03 -735.926250 0.0001 BFGS: 159 16:11:03 -735.926250 0.0001 BFGS: 160 16:11:04 -735.926250 0.0001 BFGS: 161 16:11:05 -735.926250 0.0001 BFGS: 162 16:11:05 -735.926250 0.0001 BFGS: 163 16:11:05 -735.926250 0.0001 BFGS: 164 16:11:05 -735.926250 0.0001 BFGS: 165 16:11:06 -735.926250 0.0001 BFGS: 166 16:11:06 -735.926250 0.0001 BFGS: 167 16:11:06 -735.926250 0.0001 BFGS: 168 16:11:06 -735.926250 0.0001 BFGS: 169 16:11:06 -735.926250 0.0001 BFGS: 170 16:11:06 -735.926250 0.0001 BFGS: 171 16:11:07 -735.926250 0.0001 BFGS: 172 16:11:07 -735.926250 0.0001 BFGS: 173 16:11:07 -735.926250 0.0001 BFGS: 174 16:11:07 -735.926250 0.0001 BFGS: 175 16:11:07 -735.926250 0.0000 BFGS: 176 16:11:07 -735.926250 0.0000 BFGS: 177 16:11:08 -735.926250 0.0001 BFGS: 178 16:11:08 -735.926250 0.0001 BFGS: 179 16:11:08 -735.926250 0.0001 BFGS: 180 16:11:08 -735.926250 0.0001 BFGS: 181 16:11:08 -735.926250 0.0001 BFGS: 182 16:11:08 -735.926250 0.0001 BFGS: 183 16:11:08 -735.926250 0.0000 BFGS: 184 16:11:09 -735.926250 0.0000 BFGS: 185 16:11:09 -735.926250 0.0000 BFGS: 186 16:11:09 -735.926250 0.0000 BFGS: 187 16:11:09 -735.926250 0.0000 BFGS: 188 16:11:09 -735.926250 0.0000 BFGS: 189 16:11:09 -735.926250 0.0000 BFGS: 190 16:11:09 -735.926250 0.0000 BFGS: 191 16:11:09 -735.926250 0.0000 BFGS: 192 16:11:10 -735.926250 0.0000 BFGS: 193 16:11:10 -735.926250 0.0000 BFGS: 194 16:11:10 -735.926250 0.0000 BFGS: 195 16:11:10 -735.926250 0.0000 BFGS: 196 16:11:10 -735.926250 0.0000 BFGS: 197 16:11:10 -735.926250 0.0000 BFGS: 198 16:11:11 -735.926250 0.0000 BFGS: 199 16:11:12 -735.926250 0.0000 BFGS: 200 16:11:12 -735.926250 0.0000 BFGS: 201 16:11:13 -735.926250 0.0000 BFGS: 202 16:11:13 -735.926250 0.0000 BFGS: 203 16:11:14 -735.926250 0.0000 BFGS: 204 16:11:14 -735.926250 0.0000 BFGS: 205 16:11:14 -735.926250 0.0000 BFGS: 206 16:11:15 -735.926250 0.0000 BFGS: 207 16:11:15 -735.926250 0.0000 BFGS: 208 16:11:15 -735.926250 0.0000 BFGS: 209 16:11:15 -735.926250 0.0000 BFGS: 210 16:11:16 -735.926250 0.0000 BFGS: 211 16:11:16 -735.926250 0.0000 BFGS: 212 16:11:16 -735.926250 0.0000 BFGS: 213 16:11:16 -735.926250 0.0000 BFGS: 214 16:11:16 -735.926250 0.0000 BFGS: 215 16:11:17 -735.926250 0.0000 BFGS: 216 16:11:17 -735.926250 0.0000 BFGS: 217 16:11:17 -735.926250 0.0000 BFGS: 218 16:11:18 -735.926250 0.0000 BFGS: 219 16:11:18 -735.926250 0.0000 BFGS: 220 16:11:18 -735.926250 0.0000 BFGS: 221 16:11:19 -735.926250 0.0000 BFGS: 222 16:11:19 -735.926250 0.0000 BFGS: 223 16:11:19 -735.926250 0.0000 BFGS: 224 16:11:19 -735.926250 0.0000 BFGS: 225 16:11:19 -735.926250 0.0000 BFGS: 226 16:11:19 -735.926250 0.0000 BFGS: 227 16:11:19 -735.926250 0.0000 BFGS: 228 16:11:19 -735.926250 0.0000 BFGS: 229 16:11:20 -735.926250 0.0000 BFGS: 230 16:11:20 -735.926250 0.0000 BFGS: 231 16:11:20 -735.926250 0.0000 BFGS: 232 16:11:20 -735.926250 0.0000 BFGS: 233 16:11:20 -735.926250 0.0000 BFGS: 234 16:11:20 -735.926250 0.0000 BFGS: 235 16:11:20 -735.926250 0.0000 BFGS: 236 16:11:21 -735.926250 0.0000 BFGS: 237 16:11:21 -735.926250 0.0000 BFGS: 238 16:11:21 -735.926250 0.0000 BFGS: 239 16:11:21 -735.926250 0.0000 BFGS: 240 16:11:21 -735.926250 0.0000 BFGS: 241 16:11:22 -735.926250 0.0000 BFGS: 242 16:11:22 -735.926250 0.0000 BFGS: 243 16:11:22 -735.926250 0.0000 BFGS: 244 16:11:22 -735.926250 0.0000 BFGS: 245 16:11:22 -735.926250 0.0000 BFGS: 246 16:11:23 -735.926250 0.0000 BFGS: 247 16:11:23 -735.926250 0.0000 BFGS: 248 16:11:23 -735.926250 0.0000 BFGS: 249 16:11:23 -735.926250 0.0000 BFGS: 250 16:11:23 -735.926250 0.0000 BFGS: 251 16:11:24 -735.926250 0.0000 BFGS: 252 16:11:24 -735.926250 0.0000 BFGS: 253 16:11:24 -735.926250 0.0000 BFGS: 254 16:11:25 -735.926250 0.0000 BFGS: 255 16:11:25 -735.926250 0.0000 BFGS: 256 16:11:25 -735.926250 0.0000 BFGS: 257 16:11:25 -735.926250 0.0000 BFGS: 258 16:11:25 -735.926250 0.0000 BFGS: 259 16:11:25 -735.926250 0.0000 BFGS: 260 16:11:25 -735.926250 0.0000 BFGS: 261 16:11:25 -735.926250 0.0000 BFGS: 262 16:11:25 -735.926250 0.0000 BFGS: 263 16:11:26 -735.926250 0.0000 BFGS: 264 16:11:26 -735.926250 0.0000 BFGS: 265 16:11:26 -735.926250 0.0000 BFGS: 266 16:11:27 -735.926250 0.0000 Minimization converged after 266 steps. Maximum force component: 9.55399864690371e-09 eV/Angstrom Maximum stress component: 5.7437508120458196e-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 = [[1.21398887e-17 4.99468040e-01 2.50000000e-01] [5.00000000e-01 9.99468040e-01 2.50000000e-01] [2.64854507e-17 5.00531960e-01 7.50000000e-01] [5.00000000e-01 5.31960302e-04 7.50000000e-01] [3.11671646e-01 9.62344010e-01 6.05345907e-01] [6.88328354e-01 9.62344010e-01 8.94654093e-01] [8.11671646e-01 4.62344010e-01 6.05345907e-01] [1.88328354e-01 4.62344010e-01 8.94654093e-01] [6.88328354e-01 3.76559901e-02 3.94654093e-01] [3.11671646e-01 3.76559901e-02 1.05345907e-01] [1.88328354e-01 5.37655990e-01 3.94654093e-01] [8.11671646e-01 5.37655990e-01 1.05345907e-01] [1.47847858e-01 6.76782727e-02 7.97538730e-01] [8.52152142e-01 6.76782727e-02 7.02461270e-01] [6.47847858e-01 5.67678273e-01 7.97538730e-01] [3.52152142e-01 5.67678273e-01 7.02461270e-01] [8.52152142e-01 9.32321727e-01 2.02461270e-01] [1.47847858e-01 9.32321727e-01 2.97538730e-01] [3.52152142e-01 4.32321727e-01 2.02461270e-01] [6.47847858e-01 4.32321727e-01 2.97538730e-01] [1.48857956e-01 9.34788553e-01 6.71628247e-01] [8.51142044e-01 9.34788553e-01 8.28371753e-01] [6.48857956e-01 4.34788553e-01 6.71628247e-01] [3.51142044e-01 4.34788553e-01 8.28371753e-01] [8.51142044e-01 6.52114472e-02 3.28371753e-01] [1.48857956e-01 6.52114472e-02 1.71628247e-01] [3.51142044e-01 5.65211447e-01 3.28371753e-01] [6.48857956e-01 5.65211447e-01 1.71628247e-01] [9.14271936e-02 9.58749146e-01 4.93659392e-01] [9.08572806e-01 9.58749146e-01 6.34060751e-03] [5.91427194e-01 4.58749146e-01 4.93659392e-01] [4.08572806e-01 4.58749146e-01 6.34060751e-03] [9.08572806e-01 4.12508540e-02 5.06340608e-01] [9.14271936e-02 4.12508540e-02 9.93659392e-01] [4.08572806e-01 5.41250854e-01 5.06340608e-01] [5.91427194e-01 5.41250854e-01 9.93659392e-01] [6.08379244e-01 3.16934088e-01 8.00624995e-01] [3.91620756e-01 3.16934088e-01 6.99375005e-01] [1.08379244e-01 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Cell([[25.15220762255573, -1.1060372537313726e-19, -0.0585702760882156], [-6.740877821057709e-20, 15.045901292094086, -2.1652965292746495e-18], [0.7147153658371507, -1.4093413443910027e-18, 9.71328571223284]]) forces = [[ 4.58782485e-30 -1.05548154e-09 1.49981608e-28] [ 4.58782485e-30 -1.05548154e-09 1.49981608e-28] [-4.65830122e-30 1.05548154e-09 -1.50939412e-28] [-4.65830122e-30 1.05548154e-09 -1.50939412e-28] [-2.41170732e-09 1.89316424e-09 -2.18415345e-09] [ 2.41170732e-09 1.89316424e-09 2.18415345e-09] [-2.41170732e-09 1.89316424e-09 -2.18415345e-09] [ 2.41170732e-09 1.89316424e-09 2.18415345e-09] [ 2.41170732e-09 -1.89316424e-09 2.18415345e-09] [-2.41170732e-09 -1.89316424e-09 -2.18415345e-09] [ 2.41170732e-09 -1.89316424e-09 2.18415345e-09] [-2.41170732e-09 -1.89316424e-09 -2.18415345e-09] [ 5.61341421e-09 -1.13497217e-09 1.61857995e-09] [-5.61341421e-09 -1.13497217e-09 -1.61857995e-09] [ 5.61341421e-09 -1.13497217e-09 1.61857995e-09] [-5.61341421e-09 -1.13497217e-09 -1.61857995e-09] [-5.61341421e-09 1.13497217e-09 -1.61857995e-09] [ 5.61341421e-09 1.13497217e-09 1.61857995e-09] [-5.61341421e-09 1.13497217e-09 -1.61857995e-09] [ 5.61341421e-09 1.13497217e-09 1.61857995e-09] [-2.43907268e-09 -2.36012257e-09 3.35253078e-09] [ 2.43907268e-09 -2.36012257e-09 -3.35253078e-09] [-2.43907268e-09 -2.36012257e-09 3.35253078e-09] [ 2.43907268e-09 -2.36012257e-09 -3.35253078e-09] [ 2.43907268e-09 2.36012257e-09 -3.35253078e-09] [-2.43907268e-09 2.36012257e-09 3.35253078e-09] [ 2.43907268e-09 2.36012257e-09 -3.35253078e-09] [-2.43907268e-09 2.36012257e-09 3.35253078e-09] [ 9.01276313e-10 -1.10489356e-09 1.96428877e-10] [-9.01276313e-10 -1.10489356e-09 -1.96428877e-10] [ 9.01276313e-10 -1.10489356e-09 1.96428877e-10] [-9.01276313e-10 -1.10489356e-09 -1.96428877e-10] [-9.01276313e-10 1.10489356e-09 -1.96428877e-10] [ 9.01276313e-10 1.10489356e-09 1.96428877e-10] [-9.01276313e-10 1.10489356e-09 -1.96428877e-10] [ 9.01276313e-10 1.10489356e-09 1.96428877e-10] 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9.69631210e-10 -2.54474815e-09] [-7.95747437e-09 9.69631210e-10 2.54474815e-09] [ 7.95747437e-09 9.69631210e-10 -2.54474815e-09] [-7.95747437e-09 9.69631210e-10 2.54474815e-09] [-9.05481723e-09 1.41183609e-09 -3.48290348e-11] [ 9.05481723e-09 1.41183609e-09 3.48290348e-11] [-9.05481723e-09 1.41183609e-09 -3.48290348e-11] [ 9.05481723e-09 1.41183609e-09 3.48290348e-11] [ 9.05481723e-09 -1.41183609e-09 3.48290348e-11] [-9.05481723e-09 -1.41183609e-09 -3.48290348e-11] [ 9.05481723e-09 -1.41183609e-09 3.48290348e-11] [-9.05481723e-09 -1.41183609e-09 -3.48290348e-11] [-7.22299787e-09 1.15402512e-09 1.28347009e-09] [ 7.22299787e-09 1.15402512e-09 -1.28347009e-09] [-7.22299787e-09 1.15402512e-09 1.28347009e-09] [ 7.22299787e-09 1.15402512e-09 -1.28347009e-09] [ 7.22299787e-09 -1.15402512e-09 -1.28347009e-09] [-7.22299787e-09 -1.15402512e-09 1.28347009e-09] [ 7.22299787e-09 -1.15402512e-09 -1.28347009e-09] [-7.22299787e-09 -1.15402512e-09 1.28347009e-09] [-8.43123636e-09 1.43495861e-09 9.10924083e-10] [ 8.43123636e-09 1.43495861e-09 -9.10924083e-10] [-8.43123636e-09 1.43495861e-09 9.10924083e-10] [ 8.43123636e-09 1.43495861e-09 -9.10924083e-10] [ 8.43123636e-09 -1.43495861e-09 -9.10924083e-10] [-8.43123636e-09 -1.43495861e-09 9.10924083e-10] [ 8.43123636e-09 -1.43495861e-09 -9.10924083e-10] [-8.43123636e-09 -1.43495861e-09 9.10924083e-10] [-3.58375301e-09 -1.33352988e-09 -4.21598196e-09] [ 3.58375301e-09 -1.33352988e-09 4.21598196e-09] [-3.58375301e-09 -1.33352988e-09 -4.21598196e-09] [ 3.58375301e-09 -1.33352988e-09 4.21598196e-09] [ 3.58375301e-09 1.33352988e-09 4.21598196e-09] [-3.58375301e-09 1.33352988e-09 -4.21598196e-09] [ 3.58375301e-09 1.33352988e-09 4.21598196e-09] [-3.58375301e-09 1.33352988e-09 -4.21598196e-09] [-2.15549849e-09 1.95374908e-09 -1.90820095e-09] [ 2.15549849e-09 1.95374908e-09 1.90820095e-09] [-2.15549849e-09 1.95374908e-09 -1.90820095e-09] [ 2.15549849e-09 1.95374908e-09 1.90820095e-09] [ 2.15549849e-09 -1.95374908e-09 1.90820095e-09] [-2.15549849e-09 -1.95374908e-09 -1.90820095e-09] [ 2.15549849e-09 -1.95374908e-09 1.90820095e-09] [-2.15549849e-09 -1.95374908e-09 -1.90820095e-09] [ 3.97507291e-09 3.12517312e-09 -4.98790566e-09] [-3.97507291e-09 3.12517312e-09 4.98790566e-09] [ 3.97507291e-09 3.12517312e-09 -4.98790566e-09] [-3.97507291e-09 3.12517312e-09 4.98790566e-09] [-3.97507291e-09 -3.12517312e-09 4.98790566e-09] [ 3.97507291e-09 -3.12517312e-09 -4.98790566e-09] [-3.97507291e-09 -3.12517312e-09 4.98790566e-09] [ 3.97507291e-09 -3.12517312e-09 -4.98790566e-09] [ 3.89934053e-10 1.39231884e-09 8.08518011e-09] [-3.89934053e-10 1.39231884e-09 -8.08518011e-09] [ 3.89934053e-10 1.39231884e-09 8.08518011e-09] [-3.89934053e-10 1.39231884e-09 -8.08518011e-09] [-3.89934053e-10 -1.39231884e-09 -8.08518011e-09] [ 3.89934053e-10 -1.39231884e-09 8.08518011e-09] [-3.89934053e-10 -1.39231884e-09 -8.08518011e-09] [ 3.89934053e-10 -1.39231884e-09 8.08518011e-09] [ 9.55399865e-09 2.29204640e-09 1.61411715e-09] [-9.55399865e-09 2.29204640e-09 -1.61411715e-09] [ 9.55399865e-09 2.29204640e-09 1.61411715e-09] [-9.55399865e-09 2.29204640e-09 -1.61411715e-09] [-9.55399865e-09 -2.29204640e-09 -1.61411715e-09] [ 9.55399865e-09 -2.29204640e-09 1.61411715e-09] [-9.55399865e-09 -2.29204640e-09 -1.61411715e-09] [ 9.55399865e-09 -2.29204640e-09 1.61411715e-09] [ 8.03160320e-10 5.80769059e-10 6.77653355e-09] [-8.03160320e-10 5.80769059e-10 -6.77653355e-09] [ 8.03160320e-10 5.80769059e-10 6.77653355e-09] [-8.03160320e-10 5.80769059e-10 -6.77653355e-09] [-8.03160320e-10 -5.80769059e-10 -6.77653355e-09] [ 8.03160320e-10 -5.80769059e-10 6.77653355e-09] [-8.03160320e-10 -5.80769059e-10 -6.77653355e-09] [ 8.03160320e-10 -5.80769059e-10 6.77653355e-09] [-2.74388718e-09 2.21221258e-09 4.04147653e-09] [ 2.74388718e-09 2.21221258e-09 -4.04147653e-09] [-2.74388718e-09 2.21221258e-09 4.04147653e-09] [ 2.74388718e-09 2.21221258e-09 -4.04147653e-09] [ 2.74388718e-09 -2.21221258e-09 -4.04147653e-09] [-2.74388718e-09 -2.21221258e-09 4.04147653e-09] [ 2.74388718e-09 -2.21221258e-09 -4.04147653e-09] [-2.74388718e-09 -2.21221258e-09 4.04147653e-09] [ 8.65247933e-09 1.71685102e-09 2.95350035e-10] [-8.65247933e-09 1.71685102e-09 -2.95350035e-10] [ 8.65247933e-09 1.71685102e-09 2.95350035e-10] [-8.65247933e-09 1.71685102e-09 -2.95350035e-10] [-8.65247933e-09 -1.71685102e-09 -2.95350035e-10] [ 8.65247933e-09 -1.71685102e-09 2.95350035e-10] [-8.65247933e-09 -1.71685102e-09 -2.95350035e-10] [ 8.65247933e-09 -1.71685102e-09 2.95350035e-10] [ 5.93274432e-09 -2.80687948e-10 1.68088513e-09] [-5.93274432e-09 -2.80687948e-10 -1.68088513e-09] [ 5.93274432e-09 -2.80687948e-10 1.68088513e-09] [-5.93274432e-09 -2.80687948e-10 -1.68088513e-09] [-5.93274432e-09 2.80687948e-10 -1.68088513e-09] [ 5.93274432e-09 2.80687948e-10 1.68088513e-09] [-5.93274432e-09 2.80687948e-10 -1.68088513e-09] [ 5.93274432e-09 2.80687948e-10 1.68088513e-09] [-3.73519190e-09 -1.68244159e-09 -6.89548024e-10] [ 3.73519190e-09 -1.68244159e-09 6.89548024e-10] [-3.73519190e-09 -1.68244159e-09 -6.89548024e-10] [ 3.73519190e-09 -1.68244159e-09 6.89548024e-10] [ 3.73519190e-09 1.68244159e-09 6.89548024e-10] [-3.73519190e-09 1.68244159e-09 -6.89548024e-10] [ 3.73519190e-09 1.68244159e-09 6.89548024e-10] [-3.73519190e-09 1.68244159e-09 -6.89548024e-10]] stress = [ 9.98506914e-12 -5.74375081e-11 8.77204951e-12 -8.98078236e-33 -1.27634479e-12 1.36754807e-31] energy per atom = -4.487355180525406 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0