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 09:36:20 -734.006830 0.469383 BFGS: 1 09:36:21 -734.113391 0.440878 BFGS: 2 09:36:23 -734.345741 0.435408 BFGS: 3 09:36:23 -734.373584 0.434249 BFGS: 4 09:36:24 -734.460956 0.424387 BFGS: 5 09:36:25 -734.507170 0.418340 BFGS: 6 09:36:26 -734.551698 0.412603 BFGS: 7 09:36:26 -734.602230 0.404803 BFGS: 8 09:36:26 -734.653008 0.395024 BFGS: 9 09:36:26 -734.704771 0.384345 BFGS: 10 09:36:27 -734.755606 0.373684 BFGS: 11 09:36:27 -734.803671 0.363200 BFGS: 12 09:36:27 -734.848863 0.352857 BFGS: 13 09:36:28 -734.891454 0.342652 BFGS: 14 09:36:29 -734.931934 0.332612 BFGS: 15 09:36:29 -734.970764 0.322498 BFGS: 16 09:36:30 -735.007985 0.311399 BFGS: 17 09:36:31 -735.045201 0.300682 BFGS: 18 09:36:32 -735.081771 0.290287 BFGS: 19 09:36:32 -735.117668 0.280184 BFGS: 20 09:36:33 -735.152939 0.270325 BFGS: 21 09:36:34 -735.187661 0.260670 BFGS: 22 09:36:34 -735.221898 0.262822 BFGS: 23 09:36:35 -735.255683 0.264653 BFGS: 24 09:36:36 -735.289021 0.263944 BFGS: 25 09:36:37 -735.321902 0.261031 BFGS: 26 09:36:38 -735.354299 0.256203 BFGS: 27 09:36:39 -735.386172 0.249712 BFGS: 28 09:36:39 -735.417476 0.241776 BFGS: 29 09:36:40 -735.448153 0.232576 BFGS: 30 09:36:41 -735.478135 0.222297 BFGS: 31 09:36:41 -735.507332 0.210710 BFGS: 32 09:36:42 -735.535998 0.197521 BFGS: 33 09:36:42 -735.564077 0.183416 BFGS: 34 09:36:42 -735.591411 0.168622 BFGS: 35 09:36:43 -735.617866 0.157996 BFGS: 36 09:36:43 -735.643327 0.152289 BFGS: 37 09:36:44 -735.667704 0.145594 BFGS: 38 09:36:44 -735.690917 0.138092 BFGS: 39 09:36:45 -735.712906 0.129972 BFGS: 40 09:36:45 -735.733573 0.115376 BFGS: 41 09:36:45 -735.752696 0.103373 BFGS: 42 09:36:45 -735.770226 0.097196 BFGS: 43 09:36:46 -735.786169 0.092258 BFGS: 44 09:36:46 -735.800559 0.086079 BFGS: 45 09:36:47 -735.813468 0.078418 BFGS: 46 09:36:48 -735.825057 0.068933 BFGS: 47 09:36:48 -735.835690 0.069514 BFGS: 48 09:36:49 -735.846330 0.078293 BFGS: 49 09:36:50 -735.856140 0.080949 BFGS: 50 09:36:50 -735.869222 0.079507 BFGS: 51 09:36:51 -735.880773 0.065457 BFGS: 52 09:36:51 -735.887013 0.057046 BFGS: 53 09:36:51 -735.891039 0.047408 BFGS: 54 09:36:52 -735.895833 0.046375 BFGS: 55 09:36:52 -735.901278 0.039570 BFGS: 56 09:36:53 -735.904737 0.033805 BFGS: 57 09:36:53 -735.906701 0.030046 BFGS: 58 09:36:54 -735.907745 0.032440 BFGS: 59 09:36:55 -735.909282 0.032386 BFGS: 60 09:36:56 -735.910651 0.029108 BFGS: 61 09:36:56 -735.911548 0.026725 BFGS: 62 09:36:57 -735.911984 0.028282 BFGS: 63 09:36:57 -735.912348 0.028817 BFGS: 64 09:36:58 -735.912748 0.028279 BFGS: 65 09:36:58 -735.913080 0.026806 BFGS: 66 09:36:59 -735.913299 0.025957 BFGS: 67 09:36:59 -735.913487 0.026708 BFGS: 68 09:37:00 -735.913732 0.026708 BFGS: 69 09:37:00 -735.914048 0.025673 BFGS: 70 09:37:01 -735.914389 0.023793 BFGS: 71 09:37:01 -735.914710 0.024090 BFGS: 72 09:37:02 -735.915014 0.024816 BFGS: 73 09:37:03 -735.915303 0.025061 BFGS: 74 09:37:04 -735.915570 0.024601 BFGS: 75 09:37:05 -735.915840 0.023556 BFGS: 76 09:37:06 -735.916184 0.022765 BFGS: 77 09:37:07 -735.916653 0.022992 BFGS: 78 09:37:07 -735.917194 0.022053 BFGS: 79 09:37:08 -735.917691 0.022785 BFGS: 80 09:37:08 -735.918129 0.024188 BFGS: 81 09:37:09 -735.918594 0.020164 BFGS: 82 09:37:10 -735.919135 0.017493 BFGS: 83 09:37:10 -735.919690 0.017127 BFGS: 84 09:37:11 -735.920213 0.020540 BFGS: 85 09:37:11 -735.920767 0.020317 BFGS: 86 09:37:12 -735.921436 0.017972 BFGS: 87 09:37:12 -735.922169 0.019604 BFGS: 88 09:37:13 -735.922806 0.021741 BFGS: 89 09:37:14 -735.923300 0.022602 BFGS: 90 09:37:14 -735.923743 0.018746 BFGS: 91 09:37:15 -735.924186 0.013889 BFGS: 92 09:37:15 -735.924579 0.015117 BFGS: 93 09:37:17 -735.924895 0.014556 BFGS: 94 09:37:17 -735.925176 0.011774 BFGS: 95 09:37:17 -735.925448 0.010245 BFGS: 96 09:37:18 -735.925668 0.011145 BFGS: 97 09:37:19 -735.925806 0.009387 BFGS: 98 09:37:20 -735.925890 0.006693 BFGS: 99 09:37:21 -735.925950 0.004044 BFGS: 100 09:37:22 -735.925993 0.003953 BFGS: 101 09:37:23 -735.926022 0.003895 BFGS: 102 09:37:23 -735.926047 0.003283 BFGS: 103 09:37:24 -735.926072 0.003480 BFGS: 104 09:37:24 -735.926092 0.002886 BFGS: 105 09:37:25 -735.926107 0.002723 BFGS: 106 09:37:25 -735.926117 0.002774 BFGS: 107 09:37:26 -735.926126 0.002556 BFGS: 108 09:37:26 -735.926133 0.002468 BFGS: 109 09:37:27 -735.926140 0.002532 BFGS: 110 09:37:27 -735.926146 0.002421 BFGS: 111 09:37:28 -735.926152 0.002209 BFGS: 112 09:37:28 -735.926157 0.002219 BFGS: 113 09:37:29 -735.926160 0.002258 BFGS: 114 09:37:30 -735.926161 0.002326 BFGS: 115 09:37:31 -735.926163 0.002366 BFGS: 116 09:37:31 -735.926165 0.002354 BFGS: 117 09:37:32 -735.926167 0.002281 BFGS: 118 09:37:32 -735.926169 0.002184 BFGS: 119 09:37:33 -735.926170 0.002096 BFGS: 120 09:37:34 -735.926171 0.002038 BFGS: 121 09:37:35 -735.926172 0.002018 BFGS: 122 09:37:36 -735.926173 0.002023 BFGS: 123 09:37:36 -735.926174 0.002028 BFGS: 124 09:37:37 -735.926176 0.002011 BFGS: 125 09:37:38 -735.926178 0.001947 BFGS: 126 09:37:39 -735.926181 0.001830 BFGS: 127 09:37:39 -735.926184 0.001685 BFGS: 128 09:37:39 -735.926188 0.001575 BFGS: 129 09:37:40 -735.926193 0.001514 BFGS: 130 09:37:41 -735.926199 0.001545 BFGS: 131 09:37:42 -735.926205 0.001565 BFGS: 132 09:37:42 -735.926210 0.001637 BFGS: 133 09:37:42 -735.926216 0.001608 BFGS: 134 09:37:43 -735.926223 0.001819 BFGS: 135 09:37:43 -735.926230 0.001783 BFGS: 136 09:37:44 -735.926236 0.001474 BFGS: 137 09:37:44 -735.926240 0.001443 BFGS: 138 09:37:44 -735.926243 0.001286 BFGS: 139 09:37:45 -735.926245 0.001121 BFGS: 140 09:37:45 -735.926247 0.000892 BFGS: 141 09:37:46 -735.926248 0.000609 BFGS: 142 09:37:46 -735.926248 0.000447 BFGS: 143 09:37:47 -735.926249 0.000514 BFGS: 144 09:37:48 -735.926249 0.000354 BFGS: 145 09:37:48 -735.926249 0.000229 BFGS: 146 09:37:49 -735.926249 0.000276 BFGS: 147 09:37:50 -735.926249 0.000288 BFGS: 148 09:37:50 -735.926249 0.000231 BFGS: 149 09:37:51 -735.926249 0.000130 BFGS: 150 09:37:51 -735.926249 0.000110 BFGS: 151 09:37:52 -735.926249 0.000090 BFGS: 152 09:37:52 -735.926249 0.000088 BFGS: 153 09:37:52 -735.926249 0.000085 BFGS: 154 09:37:53 -735.926249 0.000118 BFGS: 155 09:37:53 -735.926250 0.000138 BFGS: 156 09:37:54 -735.926250 0.000108 BFGS: 157 09:37:54 -735.926250 0.000067 BFGS: 158 09:37:54 -735.926250 0.000061 BFGS: 159 09:37:54 -735.926250 0.000064 BFGS: 160 09:37:55 -735.926250 0.000064 BFGS: 161 09:37:55 -735.926250 0.000058 BFGS: 162 09:37:55 -735.926250 0.000059 BFGS: 163 09:37:55 -735.926250 0.000059 BFGS: 164 09:37:56 -735.926250 0.000058 BFGS: 165 09:37:56 -735.926250 0.000056 BFGS: 166 09:37:58 -735.926250 0.000055 BFGS: 167 09:37:59 -735.926250 0.000054 BFGS: 168 09:37:59 -735.926250 0.000053 BFGS: 169 09:38:00 -735.926250 0.000053 BFGS: 170 09:38:00 -735.926250 0.000053 BFGS: 171 09:38:01 -735.926250 0.000053 BFGS: 172 09:38:01 -735.926250 0.000053 BFGS: 173 09:38:02 -735.926250 0.000052 BFGS: 174 09:38:02 -735.926250 0.000050 BFGS: 175 09:38:03 -735.926250 0.000048 BFGS: 176 09:38:04 -735.926250 0.000044 BFGS: 177 09:38:04 -735.926250 0.000052 BFGS: 178 09:38:05 -735.926250 0.000061 BFGS: 179 09:38:06 -735.926250 0.000059 BFGS: 180 09:38:07 -735.926250 0.000058 BFGS: 181 09:38:07 -735.926250 0.000064 BFGS: 182 09:38:08 -735.926250 0.000058 BFGS: 183 09:38:08 -735.926250 0.000040 BFGS: 184 09:38:08 -735.926250 0.000031 BFGS: 185 09:38:09 -735.926250 0.000035 BFGS: 186 09:38:09 -735.926250 0.000028 BFGS: 187 09:38:09 -735.926250 0.000017 BFGS: 188 09:38:10 -735.926250 0.000011 BFGS: 189 09:38:10 -735.926250 0.000010 BFGS: 190 09:38:11 -735.926250 0.000009 BFGS: 191 09:38:12 -735.926250 0.000006 BFGS: 192 09:38:12 -735.926250 0.000006 BFGS: 193 09:38:12 -735.926250 0.000005 BFGS: 194 09:38:13 -735.926250 0.000004 BFGS: 195 09:38:14 -735.926250 0.000003 BFGS: 196 09:38:14 -735.926250 0.000002 BFGS: 197 09:38:15 -735.926250 0.000001 BFGS: 198 09:38:15 -735.926250 0.000001 BFGS: 199 09:38:16 -735.926250 0.000001 BFGS: 200 09:38:16 -735.926250 0.000001 BFGS: 201 09:38:16 -735.926250 0.000001 BFGS: 202 09:38:16 -735.926250 0.000001 BFGS: 203 09:38:16 -735.926250 0.000000 BFGS: 204 09:38:17 -735.926250 0.000000 BFGS: 205 09:38:17 -735.926250 0.000000 BFGS: 206 09:38:18 -735.926250 0.000000 BFGS: 207 09:38:18 -735.926250 0.000000 BFGS: 208 09:38:19 -735.926250 0.000000 BFGS: 209 09:38:19 -735.926250 0.000000 BFGS: 210 09:38:20 -735.926250 0.000000 BFGS: 211 09:38:21 -735.926250 0.000000 BFGS: 212 09:38:21 -735.926250 0.000000 BFGS: 213 09:38:22 -735.926250 0.000000 BFGS: 214 09:38:22 -735.926250 0.000000 BFGS: 215 09:38:22 -735.926250 0.000000 BFGS: 216 09:38:23 -735.926250 0.000000 BFGS: 217 09:38:23 -735.926250 0.000000 BFGS: 218 09:38:24 -735.926250 0.000000 BFGS: 219 09:38:24 -735.926250 0.000000 BFGS: 220 09:38:24 -735.926250 0.000000 BFGS: 221 09:38:25 -735.926250 0.000000 BFGS: 222 09:38:25 -735.926250 0.000000 BFGS: 223 09:38:26 -735.926250 0.000000 BFGS: 224 09:38:27 -735.926250 0.000000 BFGS: 225 09:38:27 -735.926250 0.000000 BFGS: 226 09:38:27 -735.926250 0.000000 BFGS: 227 09:38:28 -735.926250 0.000000 BFGS: 228 09:38:28 -735.926250 0.000000 BFGS: 229 09:38:28 -735.926250 0.000000 BFGS: 230 09:38:29 -735.926250 0.000000 BFGS: 231 09:38:30 -735.926250 0.000000 BFGS: 232 09:38:30 -735.926250 0.000000 BFGS: 233 09:38:31 -735.926250 0.000000 BFGS: 234 09:38:32 -735.926250 0.000000 BFGS: 235 09:38:32 -735.926250 0.000000 BFGS: 236 09:38:32 -735.926250 0.000000 BFGS: 237 09:38:32 -735.926250 0.000000 BFGS: 238 09:38:33 -735.926250 0.000000 BFGS: 239 09:38:34 -735.926250 0.000000 BFGS: 240 09:38:34 -735.926250 0.000000 BFGS: 241 09:38:35 -735.926250 0.000000 BFGS: 242 09:38:35 -735.926250 0.000000 BFGS: 243 09:38:36 -735.926250 0.000000 BFGS: 244 09:38:36 -735.926250 0.000000 BFGS: 245 09:38:37 -735.926250 0.000000 BFGS: 246 09:38:37 -735.926250 0.000000 BFGS: 247 09:38:38 -735.926250 0.000000 BFGS: 248 09:38:39 -735.926250 0.000000 BFGS: 249 09:38:40 -735.926250 0.000000 BFGS: 250 09:38:40 -735.926250 0.000000 BFGS: 251 09:38:40 -735.926250 0.000000 BFGS: 252 09:38:41 -735.926250 0.000000 BFGS: 253 09:38:41 -735.926250 0.000000 BFGS: 254 09:38:41 -735.926250 0.000000 BFGS: 255 09:38:42 -735.926250 0.000000 BFGS: 256 09:38:43 -735.926250 0.000000 BFGS: 257 09:38:44 -735.926250 0.000000 BFGS: 258 09:38:45 -735.926250 0.000000 BFGS: 259 09:38:45 -735.926250 0.000000 BFGS: 260 09:38:46 -735.926250 0.000000 BFGS: 261 09:38:46 -735.926250 0.000000 BFGS: 262 09:38:46 -735.926250 0.000000 BFGS: 263 09:38:46 -735.926250 0.000000 BFGS: 264 09:38:47 -735.926250 0.000000 BFGS: 265 09:38:47 -735.926250 0.000000 BFGS: 266 09:38:48 -735.926250 0.000000 Minimization converged after 266 steps. Maximum force component: 9.554036034020869e-09 eV/Angstrom Maximum stress component: 5.743803182855351e-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 = [[3.31061666e-17 4.99468040e-01 2.50000000e-01] [5.00000000e-01 9.99468040e-01 2.50000000e-01] [1.00000000e+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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-1.61857891e-09] [-5.61344920e-09 1.13500740e-09 -1.61857891e-09] [ 5.61344920e-09 1.13500740e-09 1.61857891e-09] [-5.61344920e-09 1.13500740e-09 -1.61857891e-09] [ 5.61344920e-09 1.13500740e-09 1.61857891e-09] [-2.43907718e-09 -2.36009128e-09 3.35253987e-09] [ 2.43907718e-09 -2.36009128e-09 -3.35253987e-09] [-2.43907718e-09 -2.36009128e-09 3.35253987e-09] [ 2.43907718e-09 -2.36009128e-09 -3.35253987e-09] [ 2.43907718e-09 2.36009128e-09 -3.35253987e-09] [-2.43907718e-09 2.36009128e-09 3.35253987e-09] [ 2.43907718e-09 2.36009128e-09 -3.35253987e-09] [-2.43907718e-09 2.36009128e-09 3.35253987e-09] [ 9.01256014e-10 -1.10489477e-09 1.96432830e-10] [-9.01256014e-10 -1.10489477e-09 -1.96432830e-10] [ 9.01256014e-10 -1.10489477e-09 1.96432830e-10] [-9.01256014e-10 -1.10489477e-09 -1.96432830e-10] [-9.01256014e-10 1.10489477e-09 -1.96432830e-10] [ 9.01256014e-10 1.10489477e-09 1.96432830e-10] [-9.01256014e-10 1.10489477e-09 -1.96432830e-10] [ 9.01256014e-10 1.10489477e-09 1.96432830e-10] 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9.10936204e-10] [ 8.43124136e-09 1.43493749e-09 -9.10936204e-10] [-8.43124136e-09 1.43493749e-09 9.10936204e-10] [ 8.43124136e-09 1.43493749e-09 -9.10936204e-10] [ 8.43124136e-09 -1.43493749e-09 -9.10936204e-10] [-8.43124136e-09 -1.43493749e-09 9.10936204e-10] [ 8.43124136e-09 -1.43493749e-09 -9.10936204e-10] [-8.43124136e-09 -1.43493749e-09 9.10936204e-10] [-3.58379174e-09 -1.33350357e-09 -4.21597723e-09] [ 3.58379174e-09 -1.33350357e-09 4.21597723e-09] [-3.58379174e-09 -1.33350357e-09 -4.21597723e-09] [ 3.58379174e-09 -1.33350357e-09 4.21597723e-09] [ 3.58379174e-09 1.33350357e-09 4.21597723e-09] [-3.58379174e-09 1.33350357e-09 -4.21597723e-09] [ 3.58379174e-09 1.33350357e-09 4.21597723e-09] [-3.58379174e-09 1.33350357e-09 -4.21597723e-09] [-2.15554302e-09 1.95373156e-09 -1.90819874e-09] [ 2.15554302e-09 1.95373156e-09 1.90819874e-09] [-2.15554302e-09 1.95373156e-09 -1.90819874e-09] [ 2.15554302e-09 1.95373156e-09 1.90819874e-09] [ 2.15554302e-09 -1.95373156e-09 1.90819874e-09] [-2.15554302e-09 -1.95373156e-09 -1.90819874e-09] [ 2.15554302e-09 -1.95373156e-09 1.90819874e-09] [-2.15554302e-09 -1.95373156e-09 -1.90819874e-09] [ 3.97505099e-09 3.12518023e-09 -4.98792264e-09] [-3.97505099e-09 3.12518023e-09 4.98792264e-09] [ 3.97505099e-09 3.12518023e-09 -4.98792264e-09] [-3.97505099e-09 3.12518023e-09 4.98792264e-09] [-3.97505099e-09 -3.12518023e-09 4.98792264e-09] [ 3.97505099e-09 -3.12518023e-09 -4.98792264e-09] [-3.97505099e-09 -3.12518023e-09 4.98792264e-09] [ 3.97505099e-09 -3.12518023e-09 -4.98792264e-09] [ 3.89978676e-10 1.39231047e-09 8.08518697e-09] [-3.89978676e-10 1.39231047e-09 -8.08518697e-09] [ 3.89978676e-10 1.39231047e-09 8.08518697e-09] [-3.89978676e-10 1.39231047e-09 -8.08518697e-09] [-3.89978676e-10 -1.39231047e-09 -8.08518697e-09] [ 3.89978676e-10 -1.39231047e-09 8.08518697e-09] [-3.89978676e-10 -1.39231047e-09 -8.08518697e-09] [ 3.89978676e-10 -1.39231047e-09 8.08518697e-09] [ 9.55403603e-09 2.29207035e-09 1.61410140e-09] [-9.55403603e-09 2.29207035e-09 -1.61410140e-09] [ 9.55403603e-09 2.29207035e-09 1.61410140e-09] [-9.55403603e-09 2.29207035e-09 -1.61410140e-09] [-9.55403603e-09 -2.29207035e-09 -1.61410140e-09] [ 9.55403603e-09 -2.29207035e-09 1.61410140e-09] [-9.55403603e-09 -2.29207035e-09 -1.61410140e-09] [ 9.55403603e-09 -2.29207035e-09 1.61410140e-09] [ 8.03125195e-10 5.80749962e-10 6.77654750e-09] [-8.03125195e-10 5.80749962e-10 -6.77654750e-09] [ 8.03125195e-10 5.80749962e-10 6.77654750e-09] [-8.03125195e-10 5.80749962e-10 -6.77654750e-09] [-8.03125195e-10 -5.80749962e-10 -6.77654750e-09] [ 8.03125195e-10 -5.80749962e-10 6.77654750e-09] [-8.03125195e-10 -5.80749962e-10 -6.77654750e-09] [ 8.03125195e-10 -5.80749962e-10 6.77654750e-09] [-2.74386076e-09 2.21224485e-09 4.04149101e-09] [ 2.74386076e-09 2.21224485e-09 -4.04149101e-09] [-2.74386076e-09 2.21224485e-09 4.04149101e-09] [ 2.74386076e-09 2.21224485e-09 -4.04149101e-09] [ 2.74386076e-09 -2.21224485e-09 -4.04149101e-09] [-2.74386076e-09 -2.21224485e-09 4.04149101e-09] [ 2.74386076e-09 -2.21224485e-09 -4.04149101e-09] [-2.74386076e-09 -2.21224485e-09 4.04149101e-09] [ 8.65244064e-09 1.71683278e-09 2.95346999e-10] [-8.65244064e-09 1.71683278e-09 -2.95346999e-10] [ 8.65244064e-09 1.71683278e-09 2.95346999e-10] [-8.65244064e-09 1.71683278e-09 -2.95346999e-10] [-8.65244064e-09 -1.71683278e-09 -2.95346999e-10] [ 8.65244064e-09 -1.71683278e-09 2.95346999e-10] [-8.65244064e-09 -1.71683278e-09 -2.95346999e-10] [ 8.65244064e-09 -1.71683278e-09 2.95346999e-10] [ 5.93273585e-09 -2.80688311e-10 1.68086293e-09] [-5.93273585e-09 -2.80688311e-10 -1.68086293e-09] [ 5.93273585e-09 -2.80688311e-10 1.68086293e-09] [-5.93273585e-09 -2.80688311e-10 -1.68086293e-09] [-5.93273585e-09 2.80688311e-10 -1.68086293e-09] [ 5.93273585e-09 2.80688311e-10 1.68086293e-09] [-5.93273585e-09 2.80688311e-10 -1.68086293e-09] [ 5.93273585e-09 2.80688311e-10 1.68086293e-09] [-3.73516352e-09 -1.68247060e-09 -6.89544226e-10] [ 3.73516352e-09 -1.68247060e-09 6.89544226e-10] [-3.73516352e-09 -1.68247060e-09 -6.89544226e-10] [ 3.73516352e-09 -1.68247060e-09 6.89544226e-10] [ 3.73516352e-09 1.68247060e-09 6.89544226e-10] [-3.73516352e-09 1.68247060e-09 -6.89544226e-10] [ 3.73516352e-09 1.68247060e-09 6.89544226e-10] [-3.73516352e-09 1.68247060e-09 -6.89544226e-10]] stress = [ 9.98409116e-12 -5.74380318e-11 8.77128669e-12 -6.91071392e-33 -1.27633964e-12 1.05229909e-31] energy per atom = -4.487355180525417 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0