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_LenoskySadighAlonso_2000_Si__SM_622320990752_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 14:31:14 -731.113186 0.793460 BFGS: 1 14:31:15 -731.283385 0.649909 BFGS: 2 14:31:16 -731.631822 0.391159 BFGS: 3 14:31:17 -731.673078 0.390581 BFGS: 4 14:31:18 -731.835979 0.384697 BFGS: 5 14:31:19 -731.903883 0.379597 BFGS: 6 14:31:20 -731.959322 0.371501 BFGS: 7 14:31:22 -732.016823 0.361434 BFGS: 8 14:31:23 -732.070363 0.352737 BFGS: 9 14:31:24 -732.106839 0.346035 BFGS: 10 14:31:26 -732.145507 0.339513 BFGS: 11 14:31:27 -732.187365 0.333346 BFGS: 12 14:31:28 -732.229119 0.327594 BFGS: 13 14:31:29 -732.270359 0.321817 BFGS: 14 14:31:30 -732.310310 0.315825 BFGS: 15 14:31:32 -732.348543 0.309559 BFGS: 16 14:31:33 -732.384936 0.303028 BFGS: 17 14:31:34 -732.419532 0.296261 BFGS: 18 14:31:35 -732.452440 0.289288 BFGS: 19 14:31:37 -732.483792 0.282143 BFGS: 20 14:31:38 -732.513626 0.274790 BFGS: 21 14:31:39 -732.542820 0.267484 BFGS: 22 14:31:40 -732.571115 0.260108 BFGS: 23 14:31:41 -732.598203 0.252577 BFGS: 24 14:31:42 -732.624210 0.244931 BFGS: 25 14:31:43 -732.649233 0.237184 BFGS: 26 14:31:44 -732.673375 0.229353 BFGS: 27 14:31:45 -732.696728 0.221454 BFGS: 28 14:31:46 -732.719378 0.213498 BFGS: 29 14:31:47 -732.741394 0.205497 BFGS: 30 14:31:48 -732.762840 0.197465 BFGS: 31 14:31:49 -732.783729 0.189012 BFGS: 32 14:31:50 -732.804255 0.180084 BFGS: 33 14:31:51 -732.824661 0.171050 BFGS: 34 14:31:52 -732.844777 0.161946 BFGS: 35 14:31:53 -732.864533 0.152781 BFGS: 36 14:31:55 -732.883907 0.143566 BFGS: 37 14:31:56 -732.902889 0.134310 BFGS: 38 14:31:57 -732.921463 0.125026 BFGS: 39 14:31:58 -732.939613 0.115723 BFGS: 40 14:31:59 -732.957314 0.106410 BFGS: 41 14:32:00 -732.974536 0.097673 BFGS: 42 14:32:02 -732.991249 0.097942 BFGS: 43 14:32:03 -733.007420 0.099134 BFGS: 44 14:32:04 -733.023028 0.097343 BFGS: 45 14:32:06 -733.038089 0.091474 BFGS: 46 14:32:07 -733.052736 0.079307 BFGS: 47 14:32:08 -733.067682 0.081159 BFGS: 48 14:32:09 -733.079213 0.081833 BFGS: 49 14:32:10 -733.092339 0.072819 BFGS: 50 14:32:11 -733.104866 0.063336 BFGS: 51 14:32:13 -733.113024 0.067529 BFGS: 52 14:32:14 -733.120028 0.064358 BFGS: 53 14:32:16 -733.128281 0.051438 BFGS: 54 14:32:16 -733.134022 0.045829 BFGS: 55 14:32:18 -733.138860 0.040524 BFGS: 56 14:32:20 -733.142802 0.036174 BFGS: 57 14:32:22 -733.145802 0.032861 BFGS: 58 14:32:24 -733.147554 0.034055 BFGS: 59 14:32:26 -733.150074 0.033644 BFGS: 60 14:32:28 -733.152044 0.028703 BFGS: 61 14:32:29 -733.153038 0.024579 BFGS: 62 14:32:31 -733.153585 0.026056 BFGS: 63 14:32:33 -733.154211 0.026624 BFGS: 64 14:32:35 -733.154958 0.025782 BFGS: 65 14:32:37 -733.155560 0.024132 BFGS: 66 14:32:39 -733.155917 0.026759 BFGS: 67 14:32:42 -733.156189 0.028106 BFGS: 68 14:32:43 -733.156519 0.028373 BFGS: 69 14:32:46 -733.156901 0.027290 BFGS: 70 14:32:49 -733.157254 0.025360 BFGS: 71 14:32:51 -733.157553 0.023710 BFGS: 72 14:32:54 -733.157856 0.022889 BFGS: 73 14:32:56 -733.158212 0.023126 BFGS: 74 14:32:58 -733.158603 0.024387 BFGS: 75 14:33:00 -733.158978 0.025916 BFGS: 76 14:33:03 -733.159311 0.026719 BFGS: 77 14:33:05 -733.159611 0.026295 BFGS: 78 14:33:07 -733.159896 0.024745 BFGS: 79 14:33:09 -733.160191 0.022547 BFGS: 80 14:33:11 -733.160536 0.020211 BFGS: 81 14:33:13 -733.160967 0.018252 BFGS: 82 14:33:15 -733.161478 0.017466 BFGS: 83 14:33:17 -733.162013 0.021980 BFGS: 84 14:33:19 -733.162521 0.018910 BFGS: 85 14:33:21 -733.162993 0.018728 BFGS: 86 14:33:23 -733.163439 0.018193 BFGS: 87 14:33:25 -733.163882 0.020076 BFGS: 88 14:33:28 -733.164361 0.023836 BFGS: 89 14:33:30 -733.164922 0.022120 BFGS: 90 14:33:32 -733.165573 0.017303 BFGS: 91 14:33:34 -733.166259 0.020229 BFGS: 92 14:33:36 -733.166916 0.022578 BFGS: 93 14:33:39 -733.167548 0.019050 BFGS: 94 14:33:41 -733.168184 0.015810 BFGS: 95 14:33:44 -733.168789 0.016744 BFGS: 96 14:33:47 -733.169270 0.016159 BFGS: 97 14:33:50 -733.169589 0.011784 BFGS: 98 14:33:52 -733.169785 0.009261 BFGS: 99 14:33:55 -733.169908 0.006959 BFGS: 100 14:33:57 -733.169993 0.007049 BFGS: 101 14:34:00 -733.170059 0.006006 BFGS: 102 14:34:02 -733.170114 0.005363 BFGS: 103 14:34:04 -733.170159 0.005074 BFGS: 104 14:34:07 -733.170190 0.004566 BFGS: 105 14:34:10 -733.170212 0.003449 BFGS: 106 14:34:13 -733.170228 0.002982 BFGS: 107 14:34:16 -733.170240 0.002305 BFGS: 108 14:34:19 -733.170250 0.002695 BFGS: 109 14:34:20 -733.170257 0.002306 BFGS: 110 14:34:23 -733.170263 0.001486 BFGS: 111 14:34:25 -733.170267 0.001869 BFGS: 112 14:34:27 -733.170270 0.002193 BFGS: 113 14:34:31 -733.170273 0.001749 BFGS: 114 14:34:33 -733.170276 0.001220 BFGS: 115 14:34:36 -733.170278 0.001181 BFGS: 116 14:34:39 -733.170280 0.001044 BFGS: 117 14:34:42 -733.170281 0.000893 BFGS: 118 14:34:44 -733.170282 0.000559 BFGS: 119 14:34:46 -733.170282 0.000518 BFGS: 120 14:34:48 -733.170283 0.000483 BFGS: 121 14:34:50 -733.170283 0.000469 BFGS: 122 14:34:51 -733.170283 0.000480 BFGS: 123 14:34:53 -733.170283 0.000509 BFGS: 124 14:34:55 -733.170283 0.000540 BFGS: 125 14:34:57 -733.170284 0.000555 BFGS: 126 14:34:59 -733.170284 0.000548 BFGS: 127 14:35:01 -733.170284 0.000528 BFGS: 128 14:35:03 -733.170284 0.000509 BFGS: 129 14:35:05 -733.170284 0.000491 BFGS: 130 14:35:07 -733.170284 0.000481 BFGS: 131 14:35:09 -733.170284 0.000485 BFGS: 132 14:35:12 -733.170284 0.000499 BFGS: 133 14:35:14 -733.170284 0.000517 BFGS: 134 14:35:16 -733.170284 0.000527 BFGS: 135 14:35:17 -733.170284 0.000515 BFGS: 136 14:35:19 -733.170285 0.000476 BFGS: 137 14:35:21 -733.170285 0.000423 BFGS: 138 14:35:23 -733.170285 0.000467 BFGS: 139 14:35:25 -733.170285 0.000404 BFGS: 140 14:35:26 -733.170286 0.000330 BFGS: 141 14:35:28 -733.170286 0.000325 BFGS: 142 14:35:30 -733.170286 0.000335 BFGS: 143 14:35:31 -733.170286 0.000316 BFGS: 144 14:35:33 -733.170286 0.000351 BFGS: 145 14:35:35 -733.170287 0.000403 BFGS: 146 14:35:37 -733.170287 0.000358 BFGS: 147 14:35:39 -733.170287 0.000277 BFGS: 148 14:35:41 -733.170287 0.000196 BFGS: 149 14:35:44 -733.170287 0.000220 BFGS: 150 14:35:46 -733.170287 0.000214 BFGS: 151 14:35:48 -733.170288 0.000197 BFGS: 152 14:35:50 -733.170288 0.000218 BFGS: 153 14:35:52 -733.170288 0.000258 BFGS: 154 14:35:54 -733.170288 0.000256 BFGS: 155 14:35:56 -733.170288 0.000192 BFGS: 156 14:35:58 -733.170288 0.000119 BFGS: 157 14:35:59 -733.170288 0.000119 BFGS: 158 14:36:01 -733.170288 0.000116 BFGS: 159 14:36:03 -733.170288 0.000093 BFGS: 160 14:36:05 -733.170288 0.000071 BFGS: 161 14:36:07 -733.170288 0.000055 BFGS: 162 14:36:09 -733.170288 0.000044 BFGS: 163 14:36:11 -733.170288 0.000048 BFGS: 164 14:36:13 -733.170288 0.000050 BFGS: 165 14:36:15 -733.170288 0.000050 BFGS: 166 14:36:17 -733.170288 0.000049 BFGS: 167 14:36:18 -733.170288 0.000047 BFGS: 168 14:36:21 -733.170288 0.000046 BFGS: 169 14:36:23 -733.170288 0.000046 BFGS: 170 14:36:25 -733.170288 0.000046 BFGS: 171 14:36:27 -733.170288 0.000047 BFGS: 172 14:36:29 -733.170288 0.000048 BFGS: 173 14:36:32 -733.170288 0.000048 BFGS: 174 14:36:33 -733.170288 0.000047 BFGS: 175 14:36:35 -733.170288 0.000045 BFGS: 176 14:36:36 -733.170288 0.000043 BFGS: 177 14:36:38 -733.170288 0.000040 BFGS: 178 14:36:40 -733.170288 0.000038 BFGS: 179 14:36:41 -733.170288 0.000037 BFGS: 180 14:36:42 -733.170288 0.000036 BFGS: 181 14:36:44 -733.170288 0.000036 BFGS: 182 14:36:46 -733.170288 0.000037 BFGS: 183 14:36:48 -733.170288 0.000040 BFGS: 184 14:36:49 -733.170288 0.000052 BFGS: 185 14:36:51 -733.170288 0.000053 BFGS: 186 14:36:53 -733.170288 0.000039 BFGS: 187 14:36:55 -733.170288 0.000036 BFGS: 188 14:36:58 -733.170288 0.000029 BFGS: 189 14:37:00 -733.170288 0.000025 BFGS: 190 14:37:02 -733.170288 0.000018 BFGS: 191 14:37:04 -733.170288 0.000012 BFGS: 192 14:37:06 -733.170288 0.000013 BFGS: 193 14:37:08 -733.170288 0.000013 BFGS: 194 14:37:09 -733.170288 0.000011 BFGS: 195 14:37:11 -733.170288 0.000008 BFGS: 196 14:37:12 -733.170288 0.000006 BFGS: 197 14:37:14 -733.170288 0.000005 BFGS: 198 14:37:15 -733.170288 0.000003 BFGS: 199 14:37:16 -733.170288 0.000002 BFGS: 200 14:37:17 -733.170288 0.000002 BFGS: 201 14:37:18 -733.170288 0.000002 BFGS: 202 14:37:20 -733.170288 0.000002 BFGS: 203 14:37:21 -733.170288 0.000001 BFGS: 204 14:37:23 -733.170288 0.000001 BFGS: 205 14:37:24 -733.170288 0.000001 BFGS: 206 14:37:25 -733.170288 0.000001 BFGS: 207 14:37:26 -733.170288 0.000000 BFGS: 208 14:37:27 -733.170288 0.000000 BFGS: 209 14:37:29 -733.170288 0.000000 BFGS: 210 14:37:30 -733.170288 0.000000 BFGS: 211 14:37:32 -733.170288 0.000000 BFGS: 212 14:37:33 -733.170288 0.000000 BFGS: 213 14:37:35 -733.170288 0.000000 BFGS: 214 14:37:36 -733.170288 0.000000 BFGS: 215 14:37:38 -733.170288 0.000000 BFGS: 216 14:37:39 -733.170288 0.000000 BFGS: 217 14:37:40 -733.170288 0.000000 BFGS: 218 14:37:42 -733.170288 0.000000 BFGS: 219 14:37:43 -733.170288 0.000000 BFGS: 220 14:37:45 -733.170288 0.000000 BFGS: 221 14:37:47 -733.170288 0.000000 BFGS: 222 14:37:48 -733.170288 0.000000 BFGS: 223 14:37:51 -733.170288 0.000000 BFGS: 224 14:37:52 -733.170288 0.000000 BFGS: 225 14:37:54 -733.170288 0.000000 BFGS: 226 14:37:56 -733.170288 0.000000 BFGS: 227 14:37:58 -733.170288 0.000000 BFGS: 228 14:37:59 -733.170288 0.000000 BFGS: 229 14:38:01 -733.170288 0.000000 BFGS: 230 14:38:03 -733.170288 0.000000 BFGS: 231 14:38:04 -733.170288 0.000000 BFGS: 232 14:38:06 -733.170288 0.000000 BFGS: 233 14:38:08 -733.170288 0.000000 BFGS: 234 14:38:09 -733.170288 0.000000 BFGS: 235 14:38:10 -733.170288 0.000000 BFGS: 236 14:38:11 -733.170288 0.000000 BFGS: 237 14:38:13 -733.170288 0.000000 Minimization converged after 237 steps. Maximum force component: 9.388767068471246e-09 eV/Angstrom Maximum stress component: 4.540062030060025e-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 = [[1.65669405e-17 4.98874607e-01 2.50000000e-01] [5.00000000e-01 9.98874607e-01 2.50000000e-01] [0.00000000e+00 5.01125393e-01 7.50000000e-01] [5.00000000e-01 1.12539303e-03 7.50000000e-01] [3.13280498e-01 9.61847791e-01 6.07497642e-01] [6.86719502e-01 9.61847791e-01 8.92502358e-01] [8.13280498e-01 4.61847791e-01 6.07497642e-01] [1.86719502e-01 4.61847791e-01 8.92502358e-01] [6.86719502e-01 3.81522087e-02 3.92502358e-01] [3.13280498e-01 3.81522087e-02 1.07497642e-01] [1.86719502e-01 5.38152209e-01 3.92502358e-01] [8.13280498e-01 5.38152209e-01 1.07497642e-01] [1.48204287e-01 6.81783530e-02 7.96817201e-01] [8.51795713e-01 6.81783530e-02 7.03182799e-01] [6.48204287e-01 5.68178353e-01 7.96817201e-01] [3.51795713e-01 5.68178353e-01 7.03182799e-01] [8.51795713e-01 9.31821647e-01 2.03182799e-01] [1.48204287e-01 9.31821647e-01 2.96817201e-01] [3.51795713e-01 4.31821647e-01 2.03182799e-01] [6.48204287e-01 4.31821647e-01 2.96817201e-01] [1.49286292e-01 9.35385161e-01 6.70655396e-01] [8.50713708e-01 9.35385161e-01 8.29344604e-01] [6.49286292e-01 4.35385161e-01 6.70655396e-01] [3.50713708e-01 4.35385161e-01 8.29344604e-01] [8.50713708e-01 6.46148389e-02 3.29344604e-01] [1.49286292e-01 6.46148389e-02 1.70655396e-01] [3.50713708e-01 5.64614839e-01 3.29344604e-01] [6.49286292e-01 5.64614839e-01 1.70655396e-01] [9.17399524e-02 9.58714504e-01 4.92895609e-01] [9.08260048e-01 9.58714504e-01 7.10439077e-03] [5.91739952e-01 4.58714504e-01 4.92895609e-01] [4.08260048e-01 4.58714504e-01 7.10439077e-03] [9.08260048e-01 4.12854965e-02 5.07104391e-01] [9.17399524e-02 4.12854965e-02 9.92895609e-01] [4.08260048e-01 5.41285496e-01 5.07104391e-01] [5.91739952e-01 5.41285496e-01 9.92895609e-01] [6.08562149e-01 3.17866247e-01 7.99457702e-01] [3.91437851e-01 3.17866247e-01 7.00542298e-01] [1.08562149e-01 8.17866247e-01 7.99457702e-01] [8.91437851e-01 8.17866247e-01 7.00542298e-01] [3.91437851e-01 6.82133753e-01 2.00542298e-01] [6.08562149e-01 6.82133753e-01 2.99457702e-01] [8.91437851e-01 1.82133753e-01 2.00542298e-01] [1.08562149e-01 1.82133753e-01 2.99457702e-01] [5.40459783e-01 2.48235918e-01 6.81287879e-01] [4.59540217e-01 2.48235918e-01 8.18712121e-01] [4.04597829e-02 7.48235918e-01 6.81287879e-01] [9.59540217e-01 7.48235918e-01 8.18712121e-01] [4.59540217e-01 7.51764082e-01 3.18712121e-01] [5.40459783e-01 7.51764082e-01 1.81287879e-01] [9.59540217e-01 2.51764082e-01 3.18712121e-01] [4.04597829e-02 2.51764082e-01 1.81287879e-01] [7.71440689e-01 1.33387216e-01 6.42778965e-01] [2.28559311e-01 1.33387216e-01 8.57221035e-01] [2.71440689e-01 6.33387216e-01 6.42778965e-01] [7.28559311e-01 6.33387216e-01 8.57221035e-01] [2.28559311e-01 8.66612784e-01 3.57221035e-01] [7.71440689e-01 8.66612784e-01 1.42778965e-01] [7.28559311e-01 3.66612784e-01 3.57221035e-01] [2.71440689e-01 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Cell([[25.131584261012414, -7.014899735280427e-20, -0.07231043687436042], [-3.974169353337238e-20, 15.069839645088786, 2.518312189065956e-19], [0.7087743425401188, 1.5863065044326871e-19, 9.726449431407845]]) forces = [[ 1.18491594e-29 -4.02328483e-09 -6.72364453e-29] [ 1.18491594e-29 -4.02328483e-09 -6.72364453e-29] [-1.06100766e-29 4.02328483e-09 6.72328802e-29] [-1.06100766e-29 4.02328483e-09 6.72328802e-29] [-1.16381044e-09 1.51559790e-09 -2.79168991e-09] [ 1.16381044e-09 1.51559790e-09 2.79168991e-09] [-1.16381044e-09 1.51559790e-09 -2.79168991e-09] [ 1.16381044e-09 1.51559790e-09 2.79168991e-09] [ 1.16381044e-09 -1.51559790e-09 2.79168991e-09] [-1.16381044e-09 -1.51559790e-09 -2.79168991e-09] [ 1.16381044e-09 -1.51559790e-09 2.79168991e-09] [-1.16381044e-09 -1.51559790e-09 -2.79168991e-09] [-5.27686351e-10 -4.12104290e-10 -1.89372932e-09] [ 5.27686351e-10 -4.12104290e-10 1.89372932e-09] [-5.27686351e-10 -4.12104290e-10 -1.89372932e-09] [ 5.27686351e-10 -4.12104290e-10 1.89372932e-09] [ 5.27686351e-10 4.12104290e-10 1.89372932e-09] [-5.27686351e-10 4.12104290e-10 -1.89372932e-09] [ 5.27686351e-10 4.12104290e-10 1.89372932e-09] [-5.27686351e-10 4.12104290e-10 -1.89372932e-09] [-3.48094323e-10 -1.29332715e-09 3.63071707e-09] [ 3.48094323e-10 -1.29332715e-09 -3.63071707e-09] [-3.48094323e-10 -1.29332715e-09 3.63071707e-09] [ 3.48094323e-10 -1.29332715e-09 -3.63071707e-09] [ 3.48094323e-10 1.29332715e-09 -3.63071707e-09] [-3.48094323e-10 1.29332715e-09 3.63071707e-09] [ 3.48094323e-10 1.29332715e-09 -3.63071707e-09] [-3.48094323e-10 1.29332715e-09 3.63071707e-09] [ 3.88854598e-09 7.80448601e-09 1.00322707e-09] [-3.88854598e-09 7.80448601e-09 -1.00322707e-09] [ 3.88854598e-09 7.80448601e-09 1.00322707e-09] [-3.88854598e-09 7.80448601e-09 -1.00322707e-09] [-3.88854598e-09 -7.80448601e-09 -1.00322707e-09] [ 3.88854598e-09 -7.80448601e-09 1.00322707e-09] [-3.88854598e-09 -7.80448601e-09 -1.00322707e-09] [ 3.88854598e-09 -7.80448601e-09 1.00322707e-09] 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[-3.83191969e-10 1.28150008e-11 -1.03262685e-09] [ 3.83191969e-10 1.28150008e-11 1.03262685e-09] [-3.83191969e-10 1.28150008e-11 -1.03262685e-09] [ 6.42081247e-10 -2.72949300e-10 -7.23803237e-10] [-6.42081247e-10 -2.72949300e-10 7.23803237e-10] [ 6.42081247e-10 -2.72949300e-10 -7.23803237e-10] [-6.42081247e-10 -2.72949300e-10 7.23803237e-10] [-6.42081247e-10 2.72949300e-10 7.23803237e-10] [ 6.42081247e-10 2.72949300e-10 -7.23803237e-10] [-6.42081247e-10 2.72949300e-10 7.23803237e-10] [ 6.42081247e-10 2.72949300e-10 -7.23803237e-10] [-9.38876707e-09 -1.04246854e-09 5.27687838e-10] [ 9.38876707e-09 -1.04246854e-09 -5.27687838e-10] [-9.38876707e-09 -1.04246854e-09 5.27687838e-10] [ 9.38876707e-09 -1.04246854e-09 -5.27687838e-10] [ 9.38876707e-09 1.04246854e-09 -5.27687838e-10] [-9.38876707e-09 1.04246854e-09 5.27687838e-10] [ 9.38876707e-09 1.04246854e-09 -5.27687838e-10] [-9.38876707e-09 1.04246854e-09 5.27687838e-10] [-5.16538239e-10 3.15369976e-09 -1.29101985e-09] [ 5.16538239e-10 3.15369976e-09 1.29101985e-09] [-5.16538239e-10 3.15369976e-09 -1.29101985e-09] [ 5.16538239e-10 3.15369976e-09 1.29101985e-09] [ 5.16538239e-10 -3.15369976e-09 1.29101985e-09] [-5.16538239e-10 -3.15369976e-09 -1.29101985e-09] [ 5.16538239e-10 -3.15369976e-09 1.29101985e-09] [-5.16538239e-10 -3.15369976e-09 -1.29101985e-09] [-6.62366697e-09 7.30279626e-09 1.88901616e-09] [ 6.62366697e-09 7.30279626e-09 -1.88901616e-09] [-6.62366697e-09 7.30279626e-09 1.88901616e-09] [ 6.62366697e-09 7.30279626e-09 -1.88901616e-09] [ 6.62366697e-09 -7.30279626e-09 -1.88901616e-09] [-6.62366697e-09 -7.30279626e-09 1.88901616e-09] [ 6.62366697e-09 -7.30279626e-09 -1.88901616e-09] [-6.62366697e-09 -7.30279626e-09 1.88901616e-09] [ 3.33271292e-09 -5.36128671e-11 5.30606688e-09] [-3.33271292e-09 -5.36128671e-11 -5.30606688e-09] [ 3.33271292e-09 -5.36128671e-11 5.30606688e-09] [-3.33271292e-09 -5.36128671e-11 -5.30606688e-09] [-3.33271292e-09 5.36128671e-11 -5.30606688e-09] [ 3.33271292e-09 5.36128671e-11 5.30606688e-09] [-3.33271292e-09 5.36128671e-11 -5.30606688e-09] [ 3.33271292e-09 5.36128671e-11 5.30606688e-09] [-1.07258112e-09 3.65490132e-09 -1.48704712e-09] [ 1.07258112e-09 3.65490132e-09 1.48704712e-09] [-1.07258112e-09 3.65490132e-09 -1.48704712e-09] [ 1.07258112e-09 3.65490132e-09 1.48704712e-09] [ 1.07258112e-09 -3.65490132e-09 1.48704712e-09] [-1.07258112e-09 -3.65490132e-09 -1.48704712e-09] [ 1.07258112e-09 -3.65490132e-09 1.48704712e-09] [-1.07258112e-09 -3.65490132e-09 -1.48704712e-09] [-7.94427900e-10 2.60007364e-09 9.66444304e-10] [ 7.94427900e-10 2.60007364e-09 -9.66444304e-10] [-7.94427900e-10 2.60007364e-09 9.66444304e-10] [ 7.94427900e-10 2.60007364e-09 -9.66444304e-10] [ 7.94427900e-10 -2.60007364e-09 -9.66444304e-10] [-7.94427900e-10 -2.60007364e-09 9.66444304e-10] [ 7.94427900e-10 -2.60007364e-09 -9.66444304e-10] [-7.94427900e-10 -2.60007364e-09 9.66444304e-10] [ 1.23750299e-10 1.48960525e-10 5.16117290e-10] [-1.23750299e-10 1.48960525e-10 -5.16117290e-10] [ 1.23750299e-10 1.48960525e-10 5.16117290e-10] [-1.23750299e-10 1.48960525e-10 -5.16117290e-10] [-1.23750299e-10 -1.48960525e-10 -5.16117290e-10] [ 1.23750299e-10 -1.48960525e-10 5.16117290e-10] [-1.23750299e-10 -1.48960525e-10 -5.16117290e-10] [ 1.23750299e-10 -1.48960525e-10 5.16117290e-10]] stress = [ 1.07623465e-11 2.68751311e-11 4.54006203e-11 -3.43905485e-32 -1.35097059e-11 2.81916221e-33] energy per atom = -4.470550537542028 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0