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: Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000 ==== 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 16:17:48 -734.006830 0.469383 BFGS: 1 16:17:49 -734.113391 0.440878 BFGS: 2 16:17:51 -734.345741 0.435408 BFGS: 3 16:17:52 -734.373584 0.434249 BFGS: 4 16:17:54 -734.460956 0.424387 BFGS: 5 16:17:55 -734.507170 0.418340 BFGS: 6 16:17:57 -734.551698 0.412603 BFGS: 7 16:18:00 -734.602230 0.404803 BFGS: 8 16:18:02 -734.653008 0.395024 BFGS: 9 16:18:03 -734.704771 0.384345 BFGS: 10 16:18:05 -734.755606 0.373684 BFGS: 11 16:18:06 -734.803671 0.363200 BFGS: 12 16:18:07 -734.848863 0.352857 BFGS: 13 16:18:09 -734.891454 0.342652 BFGS: 14 16:18:12 -734.931934 0.332612 BFGS: 15 16:18:13 -734.970764 0.322498 BFGS: 16 16:18:15 -735.007985 0.311399 BFGS: 17 16:18:17 -735.045201 0.300682 BFGS: 18 16:18:20 -735.081771 0.290287 BFGS: 19 16:18:25 -735.117668 0.280184 BFGS: 20 16:18:27 -735.152939 0.270325 BFGS: 21 16:18:29 -735.187661 0.260670 BFGS: 22 16:18:30 -735.221898 0.262822 BFGS: 23 16:18:31 -735.255683 0.264653 BFGS: 24 16:18:33 -735.289021 0.263944 BFGS: 25 16:18:34 -735.321902 0.261031 BFGS: 26 16:18:35 -735.354299 0.256203 BFGS: 27 16:18:37 -735.386172 0.249712 BFGS: 28 16:18:38 -735.417476 0.241776 BFGS: 29 16:18:38 -735.448153 0.232576 BFGS: 30 16:18:39 -735.478135 0.222297 BFGS: 31 16:18:40 -735.507332 0.210710 BFGS: 32 16:18:40 -735.535998 0.197521 BFGS: 33 16:18:41 -735.564077 0.183416 BFGS: 34 16:18:42 -735.591411 0.168622 BFGS: 35 16:18:43 -735.617866 0.157996 BFGS: 36 16:18:45 -735.643327 0.152289 BFGS: 37 16:18:45 -735.667704 0.145594 BFGS: 38 16:18:46 -735.690917 0.138092 BFGS: 39 16:18:47 -735.712906 0.129972 BFGS: 40 16:18:48 -735.733573 0.115376 BFGS: 41 16:18:49 -735.752696 0.103373 BFGS: 42 16:18:50 -735.770226 0.097196 BFGS: 43 16:18:51 -735.786169 0.092258 BFGS: 44 16:18:52 -735.800559 0.086079 BFGS: 45 16:18:52 -735.813468 0.078418 BFGS: 46 16:18:53 -735.825057 0.068933 BFGS: 47 16:18:54 -735.835690 0.069514 BFGS: 48 16:18:54 -735.846330 0.078293 BFGS: 49 16:18:55 -735.856140 0.080949 BFGS: 50 16:18:56 -735.869222 0.079507 BFGS: 51 16:18:57 -735.880773 0.065457 BFGS: 52 16:18:57 -735.887013 0.057046 BFGS: 53 16:18:58 -735.891039 0.047408 BFGS: 54 16:18:59 -735.895833 0.046375 BFGS: 55 16:19:00 -735.901278 0.039570 BFGS: 56 16:19:01 -735.904737 0.033805 BFGS: 57 16:19:02 -735.906701 0.030046 BFGS: 58 16:19:02 -735.907745 0.032440 BFGS: 59 16:19:03 -735.909282 0.032386 BFGS: 60 16:19:04 -735.910651 0.029108 BFGS: 61 16:19:05 -735.911548 0.026725 BFGS: 62 16:19:06 -735.911984 0.028282 BFGS: 63 16:19:07 -735.912348 0.028817 BFGS: 64 16:19:08 -735.912748 0.028279 BFGS: 65 16:19:09 -735.913080 0.026806 BFGS: 66 16:19:10 -735.913299 0.025957 BFGS: 67 16:19:11 -735.913487 0.026708 BFGS: 68 16:19:12 -735.913732 0.026708 BFGS: 69 16:19:13 -735.914048 0.025673 BFGS: 70 16:19:14 -735.914389 0.023793 BFGS: 71 16:19:15 -735.914710 0.024090 BFGS: 72 16:19:16 -735.915014 0.024816 BFGS: 73 16:19:17 -735.915303 0.025061 BFGS: 74 16:19:17 -735.915570 0.024601 BFGS: 75 16:19:18 -735.915840 0.023556 BFGS: 76 16:19:19 -735.916184 0.022765 BFGS: 77 16:19:20 -735.916653 0.022992 BFGS: 78 16:19:20 -735.917194 0.022053 BFGS: 79 16:19:21 -735.917691 0.022785 BFGS: 80 16:19:21 -735.918129 0.024188 BFGS: 81 16:19:22 -735.918594 0.020164 BFGS: 82 16:19:22 -735.919135 0.017493 BFGS: 83 16:19:23 -735.919690 0.017127 BFGS: 84 16:19:24 -735.920213 0.020540 BFGS: 85 16:19:24 -735.920767 0.020317 BFGS: 86 16:19:25 -735.921436 0.017972 BFGS: 87 16:19:26 -735.922169 0.019604 BFGS: 88 16:19:26 -735.922806 0.021741 BFGS: 89 16:19:27 -735.923300 0.022602 BFGS: 90 16:19:28 -735.923743 0.018746 BFGS: 91 16:19:29 -735.924186 0.013889 BFGS: 92 16:19:29 -735.924579 0.015117 BFGS: 93 16:19:30 -735.924895 0.014556 BFGS: 94 16:19:31 -735.925176 0.011774 BFGS: 95 16:19:32 -735.925448 0.010245 BFGS: 96 16:19:32 -735.925668 0.011145 BFGS: 97 16:19:33 -735.925806 0.009387 BFGS: 98 16:19:34 -735.925890 0.006693 BFGS: 99 16:19:34 -735.925950 0.004044 BFGS: 100 16:19:35 -735.925993 0.003953 BFGS: 101 16:19:36 -735.926022 0.003895 BFGS: 102 16:19:36 -735.926047 0.003283 BFGS: 103 16:19:37 -735.926072 0.003480 BFGS: 104 16:19:37 -735.926092 0.002886 BFGS: 105 16:19:38 -735.926107 0.002723 BFGS: 106 16:19:38 -735.926117 0.002774 BFGS: 107 16:19:39 -735.926126 0.002556 BFGS: 108 16:19:39 -735.926133 0.002468 BFGS: 109 16:19:40 -735.926140 0.002532 BFGS: 110 16:19:41 -735.926146 0.002421 BFGS: 111 16:19:41 -735.926152 0.002209 BFGS: 112 16:19:42 -735.926157 0.002219 BFGS: 113 16:19:42 -735.926160 0.002258 BFGS: 114 16:19:43 -735.926161 0.002326 BFGS: 115 16:19:43 -735.926163 0.002366 BFGS: 116 16:19:44 -735.926165 0.002354 BFGS: 117 16:19:45 -735.926167 0.002281 BFGS: 118 16:19:45 -735.926169 0.002184 BFGS: 119 16:19:46 -735.926170 0.002096 BFGS: 120 16:19:46 -735.926171 0.002038 BFGS: 121 16:19:47 -735.926172 0.002018 BFGS: 122 16:19:47 -735.926173 0.002023 BFGS: 123 16:19:48 -735.926174 0.002028 BFGS: 124 16:19:48 -735.926176 0.002011 BFGS: 125 16:19:49 -735.926178 0.001947 BFGS: 126 16:19:50 -735.926181 0.001830 BFGS: 127 16:19:50 -735.926184 0.001685 BFGS: 128 16:19:51 -735.926188 0.001575 BFGS: 129 16:19:52 -735.926193 0.001514 BFGS: 130 16:19:52 -735.926199 0.001545 BFGS: 131 16:19:53 -735.926205 0.001565 BFGS: 132 16:19:53 -735.926210 0.001637 BFGS: 133 16:19:54 -735.926216 0.001608 BFGS: 134 16:19:55 -735.926223 0.001819 BFGS: 135 16:19:55 -735.926230 0.001783 BFGS: 136 16:19:56 -735.926236 0.001474 BFGS: 137 16:19:56 -735.926240 0.001443 BFGS: 138 16:19:57 -735.926243 0.001286 BFGS: 139 16:19:57 -735.926245 0.001121 BFGS: 140 16:19:58 -735.926247 0.000892 BFGS: 141 16:19:59 -735.926248 0.000609 BFGS: 142 16:19:59 -735.926248 0.000447 BFGS: 143 16:20:00 -735.926249 0.000514 BFGS: 144 16:20:00 -735.926249 0.000354 BFGS: 145 16:20:01 -735.926249 0.000229 BFGS: 146 16:20:01 -735.926249 0.000276 BFGS: 147 16:20:02 -735.926249 0.000288 BFGS: 148 16:20:02 -735.926249 0.000231 BFGS: 149 16:20:03 -735.926249 0.000130 BFGS: 150 16:20:04 -735.926249 0.000110 BFGS: 151 16:20:04 -735.926249 0.000090 BFGS: 152 16:20:05 -735.926249 0.000088 BFGS: 153 16:20:05 -735.926249 0.000085 BFGS: 154 16:20:06 -735.926249 0.000118 BFGS: 155 16:20:07 -735.926250 0.000138 BFGS: 156 16:20:07 -735.926250 0.000108 BFGS: 157 16:20:08 -735.926250 0.000067 BFGS: 158 16:20:09 -735.926250 0.000061 BFGS: 159 16:20:09 -735.926250 0.000064 BFGS: 160 16:20:10 -735.926250 0.000064 BFGS: 161 16:20:10 -735.926250 0.000058 BFGS: 162 16:20:11 -735.926250 0.000059 BFGS: 163 16:20:12 -735.926250 0.000059 BFGS: 164 16:20:12 -735.926250 0.000058 BFGS: 165 16:20:13 -735.926250 0.000056 BFGS: 166 16:20:13 -735.926250 0.000055 BFGS: 167 16:20:14 -735.926250 0.000054 BFGS: 168 16:20:15 -735.926250 0.000053 BFGS: 169 16:20:15 -735.926250 0.000053 BFGS: 170 16:20:16 -735.926250 0.000053 BFGS: 171 16:20:16 -735.926250 0.000053 BFGS: 172 16:20:17 -735.926250 0.000053 BFGS: 173 16:20:17 -735.926250 0.000052 BFGS: 174 16:20:18 -735.926250 0.000050 BFGS: 175 16:20:19 -735.926250 0.000048 BFGS: 176 16:20:19 -735.926250 0.000044 BFGS: 177 16:20:20 -735.926250 0.000052 BFGS: 178 16:20:20 -735.926250 0.000061 BFGS: 179 16:20:21 -735.926250 0.000059 BFGS: 180 16:20:22 -735.926250 0.000058 BFGS: 181 16:20:22 -735.926250 0.000064 BFGS: 182 16:20:23 -735.926250 0.000058 BFGS: 183 16:20:23 -735.926250 0.000040 BFGS: 184 16:20:24 -735.926250 0.000031 BFGS: 185 16:20:24 -735.926250 0.000035 BFGS: 186 16:20:25 -735.926250 0.000028 BFGS: 187 16:20:25 -735.926250 0.000017 BFGS: 188 16:20:26 -735.926250 0.000011 BFGS: 189 16:20:26 -735.926250 0.000010 BFGS: 190 16:20:27 -735.926250 0.000009 BFGS: 191 16:20:28 -735.926250 0.000006 BFGS: 192 16:20:28 -735.926250 0.000006 BFGS: 193 16:20:29 -735.926250 0.000005 BFGS: 194 16:20:29 -735.926250 0.000004 BFGS: 195 16:20:30 -735.926250 0.000003 BFGS: 196 16:20:31 -735.926250 0.000002 BFGS: 197 16:20:31 -735.926250 0.000001 BFGS: 198 16:20:32 -735.926250 0.000001 BFGS: 199 16:20:32 -735.926250 0.000001 BFGS: 200 16:20:33 -735.926250 0.000001 BFGS: 201 16:20:33 -735.926250 0.000001 BFGS: 202 16:20:34 -735.926250 0.000001 BFGS: 203 16:20:34 -735.926250 0.000000 BFGS: 204 16:20:35 -735.926250 0.000000 BFGS: 205 16:20:36 -735.926250 0.000000 BFGS: 206 16:20:36 -735.926250 0.000000 BFGS: 207 16:20:37 -735.926250 0.000000 BFGS: 208 16:20:37 -735.926250 0.000000 BFGS: 209 16:20:38 -735.926250 0.000000 BFGS: 210 16:20:38 -735.926250 0.000000 BFGS: 211 16:20:38 -735.926250 0.000000 BFGS: 212 16:20:39 -735.926250 0.000000 BFGS: 213 16:20:39 -735.926250 0.000000 BFGS: 214 16:20:39 -735.926250 0.000000 BFGS: 215 16:20:40 -735.926250 0.000000 BFGS: 216 16:20:40 -735.926250 0.000000 BFGS: 217 16:20:41 -735.926250 0.000000 BFGS: 218 16:20:42 -735.926250 0.000000 BFGS: 219 16:20:42 -735.926250 0.000000 BFGS: 220 16:20:43 -735.926250 0.000000 BFGS: 221 16:20:44 -735.926250 0.000000 BFGS: 222 16:20:44 -735.926250 0.000000 BFGS: 223 16:20:45 -735.926250 0.000000 BFGS: 224 16:20:45 -735.926250 0.000000 BFGS: 225 16:20:45 -735.926250 0.000000 BFGS: 226 16:20:46 -735.926250 0.000000 BFGS: 227 16:20:47 -735.926250 0.000000 BFGS: 228 16:20:47 -735.926250 0.000000 BFGS: 229 16:20:48 -735.926250 0.000000 BFGS: 230 16:20:48 -735.926250 0.000000 BFGS: 231 16:20:49 -735.926250 0.000000 BFGS: 232 16:20:49 -735.926250 0.000000 BFGS: 233 16:20:50 -735.926250 0.000000 BFGS: 234 16:20:50 -735.926250 0.000000 BFGS: 235 16:20:51 -735.926250 0.000000 BFGS: 236 16:20:51 -735.926250 0.000000 BFGS: 237 16:20:51 -735.926250 0.000000 BFGS: 238 16:20:51 -735.926250 0.000000 BFGS: 239 16:20:51 -735.926250 0.000000 BFGS: 240 16:20:52 -735.926250 0.000000 BFGS: 241 16:20:52 -735.926250 0.000000 BFGS: 242 16:20:52 -735.926250 0.000000 BFGS: 243 16:20:52 -735.926250 0.000000 BFGS: 244 16:20:52 -735.926250 0.000000 BFGS: 245 16:20:52 -735.926250 0.000000 BFGS: 246 16:20:52 -735.926250 0.000000 BFGS: 247 16:20:53 -735.926250 0.000000 BFGS: 248 16:20:53 -735.926250 0.000000 BFGS: 249 16:20:53 -735.926250 0.000000 BFGS: 250 16:20:53 -735.926250 0.000000 BFGS: 251 16:20:53 -735.926250 0.000000 BFGS: 252 16:20:53 -735.926250 0.000000 BFGS: 253 16:20:54 -735.926250 0.000000 BFGS: 254 16:20:54 -735.926250 0.000000 BFGS: 255 16:20:54 -735.926250 0.000000 BFGS: 256 16:20:54 -735.926250 0.000000 BFGS: 257 16:20:54 -735.926250 0.000000 BFGS: 258 16:20:54 -735.926250 0.000000 BFGS: 259 16:20:55 -735.926250 0.000000 BFGS: 260 16:20:55 -735.926250 0.000000 BFGS: 261 16:20:56 -735.926250 0.000000 BFGS: 262 16:20:57 -735.926250 0.000000 BFGS: 263 16:20:57 -735.926250 0.000000 BFGS: 264 16:20:58 -735.926250 0.000000 BFGS: 265 16:20:59 -735.926250 0.000000 BFGS: 266 16:21:00 -735.926250 0.000000 Minimization converged after 266 steps. Maximum force component: 9.554032944292355e-09 eV/Angstrom Maximum stress component: 5.743720724741885e-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 = [[1.87578043e-17 4.99468040e-01 2.50000000e-01] [5.00000000e-01 9.99468040e-01 2.50000000e-01] [0.00000000e+00 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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-1.61861644e-09] [-5.61343568e-09 1.13491715e-09 -1.61861644e-09] [ 5.61343568e-09 1.13491715e-09 1.61861644e-09] [-5.61343568e-09 1.13491715e-09 -1.61861644e-09] [ 5.61343568e-09 1.13491715e-09 1.61861644e-09] [-2.43908412e-09 -2.36017069e-09 3.35252134e-09] [ 2.43908412e-09 -2.36017069e-09 -3.35252134e-09] [-2.43908412e-09 -2.36017069e-09 3.35252134e-09] [ 2.43908412e-09 -2.36017069e-09 -3.35252134e-09] [ 2.43908412e-09 2.36017069e-09 -3.35252134e-09] [-2.43908412e-09 2.36017069e-09 3.35252134e-09] [ 2.43908412e-09 2.36017069e-09 -3.35252134e-09] [-2.43908412e-09 2.36017069e-09 3.35252134e-09] [ 9.01255233e-10 -1.10498340e-09 1.96416800e-10] [-9.01255233e-10 -1.10498340e-09 -1.96416800e-10] [ 9.01255233e-10 -1.10498340e-09 1.96416800e-10] [-9.01255233e-10 -1.10498340e-09 -1.96416800e-10] [-9.01255233e-10 1.10498340e-09 -1.96416800e-10] [ 9.01255233e-10 1.10498340e-09 1.96416800e-10] [-9.01255233e-10 1.10498340e-09 -1.96416800e-10] [ 9.01255233e-10 1.10498340e-09 1.96416800e-10] 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9.10890592e-10] [ 8.43119777e-09 1.43501019e-09 -9.10890592e-10] [-8.43119777e-09 1.43501019e-09 9.10890592e-10] [ 8.43119777e-09 1.43501019e-09 -9.10890592e-10] [ 8.43119777e-09 -1.43501019e-09 -9.10890592e-10] [-8.43119777e-09 -1.43501019e-09 9.10890592e-10] [ 8.43119777e-09 -1.43501019e-09 -9.10890592e-10] [-8.43119777e-09 -1.43501019e-09 9.10890592e-10] [-3.58374199e-09 -1.33351998e-09 -4.21595116e-09] [ 3.58374199e-09 -1.33351998e-09 4.21595116e-09] [-3.58374199e-09 -1.33351998e-09 -4.21595116e-09] [ 3.58374199e-09 -1.33351998e-09 4.21595116e-09] [ 3.58374199e-09 1.33351998e-09 4.21595116e-09] [-3.58374199e-09 1.33351998e-09 -4.21595116e-09] [ 3.58374199e-09 1.33351998e-09 4.21595116e-09] [-3.58374199e-09 1.33351998e-09 -4.21595116e-09] [-2.15549878e-09 1.95373700e-09 -1.90817002e-09] [ 2.15549878e-09 1.95373700e-09 1.90817002e-09] [-2.15549878e-09 1.95373700e-09 -1.90817002e-09] [ 2.15549878e-09 1.95373700e-09 1.90817002e-09] [ 2.15549878e-09 -1.95373700e-09 1.90817002e-09] [-2.15549878e-09 -1.95373700e-09 -1.90817002e-09] [ 2.15549878e-09 -1.95373700e-09 1.90817002e-09] [-2.15549878e-09 -1.95373700e-09 -1.90817002e-09] [ 3.97511617e-09 3.12516945e-09 -4.98795293e-09] [-3.97511617e-09 3.12516945e-09 4.98795293e-09] [ 3.97511617e-09 3.12516945e-09 -4.98795293e-09] [-3.97511617e-09 3.12516945e-09 4.98795293e-09] [-3.97511617e-09 -3.12516945e-09 4.98795293e-09] [ 3.97511617e-09 -3.12516945e-09 -4.98795293e-09] [-3.97511617e-09 -3.12516945e-09 4.98795293e-09] [ 3.97511617e-09 -3.12516945e-09 -4.98795293e-09] [ 3.89935238e-10 1.39235965e-09 8.08516064e-09] [-3.89935238e-10 1.39235965e-09 -8.08516064e-09] [ 3.89935238e-10 1.39235965e-09 8.08516064e-09] [-3.89935238e-10 1.39235965e-09 -8.08516064e-09] [-3.89935238e-10 -1.39235965e-09 -8.08516064e-09] [ 3.89935238e-10 -1.39235965e-09 8.08516064e-09] [-3.89935238e-10 -1.39235965e-09 -8.08516064e-09] [ 3.89935238e-10 -1.39235965e-09 8.08516064e-09] [ 9.55403294e-09 2.29205944e-09 1.61413386e-09] [-9.55403294e-09 2.29205944e-09 -1.61413386e-09] [ 9.55403294e-09 2.29205944e-09 1.61413386e-09] [-9.55403294e-09 2.29205944e-09 -1.61413386e-09] [-9.55403294e-09 -2.29205944e-09 -1.61413386e-09] [ 9.55403294e-09 -2.29205944e-09 1.61413386e-09] [-9.55403294e-09 -2.29205944e-09 -1.61413386e-09] [ 9.55403294e-09 -2.29205944e-09 1.61413386e-09] [ 8.03184496e-10 5.80805341e-10 6.77652157e-09] [-8.03184496e-10 5.80805341e-10 -6.77652157e-09] [ 8.03184496e-10 5.80805341e-10 6.77652157e-09] [-8.03184496e-10 5.80805341e-10 -6.77652157e-09] [-8.03184496e-10 -5.80805341e-10 -6.77652157e-09] [ 8.03184496e-10 -5.80805341e-10 6.77652157e-09] [-8.03184496e-10 -5.80805341e-10 -6.77652157e-09] [ 8.03184496e-10 -5.80805341e-10 6.77652157e-09] [-2.74393837e-09 2.21217279e-09 4.04148680e-09] [ 2.74393837e-09 2.21217279e-09 -4.04148680e-09] [-2.74393837e-09 2.21217279e-09 4.04148680e-09] [ 2.74393837e-09 2.21217279e-09 -4.04148680e-09] [ 2.74393837e-09 -2.21217279e-09 -4.04148680e-09] [-2.74393837e-09 -2.21217279e-09 4.04148680e-09] [ 2.74393837e-09 -2.21217279e-09 -4.04148680e-09] [-2.74393837e-09 -2.21217279e-09 4.04148680e-09] [ 8.65240687e-09 1.71685586e-09 2.95410827e-10] [-8.65240687e-09 1.71685586e-09 -2.95410827e-10] [ 8.65240687e-09 1.71685586e-09 2.95410827e-10] [-8.65240687e-09 1.71685586e-09 -2.95410827e-10] [-8.65240687e-09 -1.71685586e-09 -2.95410827e-10] [ 8.65240687e-09 -1.71685586e-09 2.95410827e-10] [-8.65240687e-09 -1.71685586e-09 -2.95410827e-10] [ 8.65240687e-09 -1.71685586e-09 2.95410827e-10] [ 5.93272715e-09 -2.80765400e-10 1.68090561e-09] [-5.93272715e-09 -2.80765400e-10 -1.68090561e-09] [ 5.93272715e-09 -2.80765400e-10 1.68090561e-09] [-5.93272715e-09 -2.80765400e-10 -1.68090561e-09] [-5.93272715e-09 2.80765400e-10 -1.68090561e-09] [ 5.93272715e-09 2.80765400e-10 1.68090561e-09] [-5.93272715e-09 2.80765400e-10 -1.68090561e-09] [ 5.93272715e-09 2.80765400e-10 1.68090561e-09] [-3.73520177e-09 -1.68239748e-09 -6.89538946e-10] [ 3.73520177e-09 -1.68239748e-09 6.89538946e-10] [-3.73520177e-09 -1.68239748e-09 -6.89538946e-10] [ 3.73520177e-09 -1.68239748e-09 6.89538946e-10] [ 3.73520177e-09 1.68239748e-09 6.89538946e-10] [-3.73520177e-09 1.68239748e-09 -6.89538946e-10] [ 3.73520177e-09 1.68239748e-09 6.89538946e-10] [-3.73520177e-09 1.68239748e-09 -6.89538946e-10]] stress = [ 9.98571223e-12 -5.74372072e-11 8.77217463e-12 1.18979509e-32 -1.27669261e-12 -1.81148106e-31] energy per atom = -4.487355180525414 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0