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: SNAP_ZuoChenLi_2019quadratic_Si__MO_721469752060_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 18:28:11 -860.278764 0.462431 BFGS: 1 18:28:12 -860.407733 0.381707 BFGS: 2 18:28:12 -860.655951 0.349221 BFGS: 3 18:28:13 -860.685116 0.344348 BFGS: 4 18:28:14 -860.762175 0.331387 BFGS: 5 18:28:14 -860.786020 0.328946 BFGS: 6 18:28:15 -860.814603 0.326218 BFGS: 7 18:28:16 -860.841799 0.321480 BFGS: 8 18:28:17 -860.872046 0.312334 BFGS: 9 18:28:17 -860.893133 0.302756 BFGS: 10 18:28:18 -860.911238 0.293206 BFGS: 11 18:28:19 -860.932358 0.282006 BFGS: 12 18:28:19 -860.953577 0.271816 BFGS: 13 18:28:20 -860.974072 0.262751 BFGS: 14 18:28:21 -860.993523 0.254226 BFGS: 15 18:28:21 -861.011937 0.245838 BFGS: 16 18:28:22 -861.029568 0.237384 BFGS: 17 18:28:23 -861.046646 0.228797 BFGS: 18 18:28:24 -861.063288 0.220072 BFGS: 19 18:28:24 -861.079508 0.211231 BFGS: 20 18:28:25 -861.095262 0.202303 BFGS: 21 18:28:26 -861.110477 0.193316 BFGS: 22 18:28:27 -861.125066 0.184297 BFGS: 23 18:28:27 -861.138951 0.175270 BFGS: 24 18:28:28 -861.152064 0.166230 BFGS: 25 18:28:29 -861.164357 0.157163 BFGS: 26 18:28:30 -861.175813 0.148135 BFGS: 27 18:28:30 -861.186432 0.139162 BFGS: 28 18:28:31 -861.196252 0.130257 BFGS: 29 18:28:32 -861.205355 0.121436 BFGS: 30 18:28:32 -861.213864 0.112715 BFGS: 31 18:28:33 -861.221954 0.104113 BFGS: 32 18:28:34 -861.229860 0.095658 BFGS: 33 18:28:35 -861.237874 0.087386 BFGS: 34 18:28:35 -861.246342 0.082495 BFGS: 35 18:28:36 -861.255679 0.084558 BFGS: 36 18:28:37 -861.266376 0.072182 BFGS: 37 18:28:37 -861.274144 0.063713 BFGS: 38 18:28:38 -861.281295 0.066602 BFGS: 39 18:28:39 -861.285231 0.068604 BFGS: 40 18:28:39 -861.288360 0.067151 BFGS: 41 18:28:40 -861.291483 0.061094 BFGS: 42 18:28:41 -861.294079 0.053161 BFGS: 43 18:28:41 -861.296393 0.054649 BFGS: 44 18:28:42 -861.298922 0.059224 BFGS: 45 18:28:43 -861.301831 0.061266 BFGS: 46 18:28:44 -861.305131 0.059301 BFGS: 47 18:28:44 -861.307838 0.053841 BFGS: 48 18:28:45 -861.309406 0.049147 BFGS: 49 18:28:46 -861.310637 0.046591 BFGS: 50 18:28:46 -861.312124 0.045992 BFGS: 51 18:28:47 -861.313763 0.047932 BFGS: 52 18:28:48 -861.315120 0.051278 BFGS: 53 18:28:48 -861.316152 0.053863 BFGS: 54 18:28:49 -861.317137 0.054860 BFGS: 55 18:28:50 -861.318170 0.053829 BFGS: 56 18:28:50 -861.319064 0.051184 BFGS: 57 18:28:51 -861.319800 0.048436 BFGS: 58 18:28:52 -861.320604 0.046271 BFGS: 59 18:28:52 -861.321699 0.044908 BFGS: 60 18:28:53 -861.322999 0.045012 BFGS: 61 18:28:54 -861.324274 0.046282 BFGS: 62 18:28:55 -861.325450 0.047363 BFGS: 63 18:28:55 -861.326773 0.047094 BFGS: 64 18:28:56 -861.328357 0.044420 BFGS: 65 18:28:57 -861.329877 0.039551 BFGS: 66 18:28:57 -861.330995 0.034871 BFGS: 67 18:28:58 -861.331814 0.032093 BFGS: 68 18:28:58 -861.332597 0.031100 BFGS: 69 18:28:59 -861.333401 0.031735 BFGS: 70 18:29:00 -861.334160 0.033237 BFGS: 71 18:29:00 -861.334964 0.034478 BFGS: 72 18:29:01 -861.336057 0.034585 BFGS: 73 18:29:02 -861.337633 0.032390 BFGS: 74 18:29:02 -861.339409 0.029397 BFGS: 75 18:29:03 -861.341072 0.033674 BFGS: 76 18:29:04 -861.342651 0.032238 BFGS: 77 18:29:04 -861.343988 0.026012 BFGS: 78 18:29:05 -861.345245 0.024968 BFGS: 79 18:29:06 -861.346420 0.030375 BFGS: 80 18:29:06 -861.347451 0.032645 BFGS: 81 18:29:07 -861.348641 0.034481 BFGS: 82 18:29:08 -861.350096 0.028870 BFGS: 83 18:29:08 -861.351535 0.021381 BFGS: 84 18:29:09 -861.352530 0.019688 BFGS: 85 18:29:10 -861.353128 0.017483 BFGS: 86 18:29:11 -861.353587 0.017726 BFGS: 87 18:29:11 -861.354001 0.015906 BFGS: 88 18:29:12 -861.354332 0.013336 BFGS: 89 18:29:12 -861.354601 0.014153 BFGS: 90 18:29:13 -861.354867 0.012485 BFGS: 91 18:29:14 -861.355128 0.008695 BFGS: 92 18:29:14 -861.355317 0.008019 BFGS: 93 18:29:15 -861.355423 0.007326 BFGS: 94 18:29:16 -861.355490 0.005894 BFGS: 95 18:29:16 -861.355544 0.005415 BFGS: 96 18:29:17 -861.355588 0.004748 BFGS: 97 18:29:18 -861.355627 0.004927 BFGS: 98 18:29:18 -861.355678 0.005021 BFGS: 99 18:29:19 -861.355749 0.004712 BFGS: 100 18:29:20 -861.355826 0.004907 BFGS: 101 18:29:20 -861.355881 0.005492 BFGS: 102 18:29:21 -861.355914 0.004550 BFGS: 103 18:29:22 -861.355943 0.003483 BFGS: 104 18:29:22 -861.355981 0.003945 BFGS: 105 18:29:23 -861.356026 0.004566 BFGS: 106 18:29:24 -861.356075 0.005276 BFGS: 107 18:29:24 -861.356125 0.005787 BFGS: 108 18:29:25 -861.356173 0.006134 BFGS: 109 18:29:26 -861.356210 0.004928 BFGS: 110 18:29:26 -861.356230 0.003225 BFGS: 111 18:29:27 -861.356239 0.002294 BFGS: 112 18:29:28 -861.356245 0.002071 BFGS: 113 18:29:28 -861.356252 0.002015 BFGS: 114 18:29:29 -861.356258 0.001961 BFGS: 115 18:29:30 -861.356263 0.001947 BFGS: 116 18:29:30 -861.356268 0.001973 BFGS: 117 18:29:31 -861.356273 0.002010 BFGS: 118 18:29:32 -861.356278 0.002011 BFGS: 119 18:29:32 -861.356282 0.001981 BFGS: 120 18:29:33 -861.356286 0.001940 BFGS: 121 18:29:34 -861.356291 0.001888 BFGS: 122 18:29:34 -861.356295 0.001822 BFGS: 123 18:29:35 -861.356298 0.001782 BFGS: 124 18:29:35 -861.356300 0.001787 BFGS: 125 18:29:36 -861.356301 0.001807 BFGS: 126 18:29:37 -861.356302 0.001817 BFGS: 127 18:29:37 -861.356303 0.001808 BFGS: 128 18:29:38 -861.356305 0.001779 BFGS: 129 18:29:39 -861.356307 0.001726 BFGS: 130 18:29:39 -861.356309 0.001647 BFGS: 131 18:29:40 -861.356311 0.001577 BFGS: 132 18:29:41 -861.356312 0.001548 BFGS: 133 18:29:41 -861.356313 0.001542 BFGS: 134 18:29:42 -861.356314 0.001542 BFGS: 135 18:29:43 -861.356316 0.001528 BFGS: 136 18:29:43 -861.356318 0.001480 BFGS: 137 18:29:44 -861.356321 0.001678 BFGS: 138 18:29:45 -861.356325 0.001280 BFGS: 139 18:29:45 -861.356328 0.001172 BFGS: 140 18:29:46 -861.356330 0.001093 BFGS: 141 18:29:47 -861.356331 0.001053 BFGS: 142 18:29:47 -861.356333 0.001140 BFGS: 143 18:29:48 -861.356335 0.001366 BFGS: 144 18:29:49 -861.356337 0.001322 BFGS: 145 18:29:50 -861.356339 0.001088 BFGS: 146 18:29:50 -861.356341 0.000954 BFGS: 147 18:29:51 -861.356342 0.000836 BFGS: 148 18:29:52 -861.356343 0.000798 BFGS: 149 18:29:52 -861.356344 0.000736 BFGS: 150 18:29:53 -861.356345 0.000722 BFGS: 151 18:29:54 -861.356347 0.000827 BFGS: 152 18:29:54 -861.356348 0.000850 BFGS: 153 18:29:55 -861.356350 0.001068 BFGS: 154 18:29:56 -861.356352 0.001135 BFGS: 155 18:29:57 -861.356354 0.001019 BFGS: 156 18:29:57 -861.356356 0.000937 BFGS: 157 18:29:58 -861.356357 0.000851 BFGS: 158 18:29:59 -861.356358 0.000779 BFGS: 159 18:29:59 -861.356359 0.000728 BFGS: 160 18:30:00 -861.356360 0.000546 BFGS: 161 18:30:01 -861.356361 0.000621 BFGS: 162 18:30:02 -861.356362 0.000581 BFGS: 163 18:30:02 -861.356362 0.000414 BFGS: 164 18:30:03 -861.356362 0.000232 BFGS: 165 18:30:04 -861.356362 0.000144 BFGS: 166 18:30:04 -861.356362 0.000129 BFGS: 167 18:30:05 -861.356362 0.000112 BFGS: 168 18:30:06 -861.356362 0.000089 BFGS: 169 18:30:07 -861.356362 0.000104 BFGS: 170 18:30:07 -861.356362 0.000118 BFGS: 171 18:30:08 -861.356362 0.000113 BFGS: 172 18:30:09 -861.356362 0.000084 BFGS: 173 18:30:10 -861.356362 0.000085 BFGS: 174 18:30:10 -861.356362 0.000069 BFGS: 175 18:30:11 -861.356362 0.000059 BFGS: 176 18:30:12 -861.356362 0.000046 BFGS: 177 18:30:13 -861.356362 0.000045 BFGS: 178 18:30:13 -861.356362 0.000056 BFGS: 179 18:30:14 -861.356362 0.000060 BFGS: 180 18:30:15 -861.356362 0.000040 BFGS: 181 18:30:16 -861.356362 0.000024 BFGS: 182 18:30:16 -861.356362 0.000016 BFGS: 183 18:30:17 -861.356362 0.000015 BFGS: 184 18:30:18 -861.356362 0.000013 BFGS: 185 18:30:19 -861.356362 0.000012 BFGS: 186 18:30:19 -861.356362 0.000012 BFGS: 187 18:30:20 -861.356362 0.000010 BFGS: 188 18:30:21 -861.356362 0.000007 BFGS: 189 18:30:21 -861.356362 0.000005 BFGS: 190 18:30:22 -861.356362 0.000003 BFGS: 191 18:30:23 -861.356362 0.000003 BFGS: 192 18:30:24 -861.356362 0.000003 BFGS: 193 18:30:24 -861.356362 0.000003 BFGS: 194 18:30:25 -861.356362 0.000002 BFGS: 195 18:30:25 -861.356362 0.000002 BFGS: 196 18:30:26 -861.356362 0.000002 BFGS: 197 18:30:27 -861.356362 0.000002 BFGS: 198 18:30:28 -861.356362 0.000002 BFGS: 199 18:30:28 -861.356362 0.000002 BFGS: 200 18:30:29 -861.356362 0.000002 BFGS: 201 18:30:30 -861.356362 0.000002 BFGS: 202 18:30:30 -861.356362 0.000002 BFGS: 203 18:30:31 -861.356362 0.000002 BFGS: 204 18:30:31 -861.356362 0.000002 BFGS: 205 18:30:32 -861.356362 0.000002 BFGS: 206 18:30:33 -861.356362 0.000002 BFGS: 207 18:30:33 -861.356362 0.000002 BFGS: 208 18:30:34 -861.356362 0.000002 BFGS: 209 18:30:35 -861.356362 0.000002 BFGS: 210 18:30:36 -861.356362 0.000002 BFGS: 211 18:30:36 -861.356362 0.000002 BFGS: 212 18:30:37 -861.356362 0.000003 BFGS: 213 18:30:38 -861.356362 0.000003 BFGS: 214 18:30:38 -861.356362 0.000002 BFGS: 215 18:30:39 -861.356362 0.000002 BFGS: 216 18:30:40 -861.356362 0.000001 BFGS: 217 18:30:40 -861.356362 0.000001 BFGS: 218 18:30:41 -861.356362 0.000000 BFGS: 219 18:30:42 -861.356362 0.000000 BFGS: 220 18:30:42 -861.356362 0.000000 BFGS: 221 18:30:43 -861.356362 0.000000 BFGS: 222 18:30:44 -861.356362 0.000000 BFGS: 223 18:30:44 -861.356362 0.000000 BFGS: 224 18:30:45 -861.356362 0.000000 BFGS: 225 18:30:45 -861.356362 0.000000 BFGS: 226 18:30:46 -861.356362 0.000000 BFGS: 227 18:30:47 -861.356362 0.000000 BFGS: 228 18:30:47 -861.356362 0.000000 BFGS: 229 18:30:48 -861.356362 0.000000 BFGS: 230 18:30:48 -861.356362 0.000000 BFGS: 231 18:30:49 -861.356362 0.000000 BFGS: 232 18:30:49 -861.356362 0.000000 BFGS: 233 18:30:50 -861.356362 0.000000 Minimization converged after 233 steps. Maximum force component: 9.655352237788323e-09 eV/Angstrom Maximum stress component: 5.4667240146923174e-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 = [[1.08154690e-18 4.99068402e-01 2.50000000e-01] [5.00000000e-01 9.99068402e-01 2.50000000e-01] [1.00000000e+00 5.00931598e-01 7.50000000e-01] [5.00000000e-01 9.31598424e-04 7.50000000e-01] [3.09264206e-01 9.66006251e-01 5.99441328e-01] [6.90735794e-01 9.66006251e-01 9.00558672e-01] [8.09264206e-01 4.66006251e-01 5.99441328e-01] [1.90735794e-01 4.66006251e-01 9.00558672e-01] [6.90735794e-01 3.39937490e-02 4.00558672e-01] [3.09264206e-01 3.39937490e-02 9.94413284e-02] [1.90735794e-01 5.33993749e-01 4.00558672e-01] [8.09264206e-01 5.33993749e-01 9.94413284e-02] [1.47486220e-01 6.64242683e-02 7.98688493e-01] [8.52513780e-01 6.64242683e-02 7.01311507e-01] [6.47486220e-01 5.66424268e-01 7.98688493e-01] [3.52513780e-01 5.66424268e-01 7.01311507e-01] [8.52513780e-01 9.33575732e-01 2.01311507e-01] [1.47486220e-01 9.33575732e-01 2.98688493e-01] [3.52513780e-01 4.33575732e-01 2.01311507e-01] [6.47486220e-01 4.33575732e-01 2.98688493e-01] [1.48103485e-01 9.33170950e-01 6.71362388e-01] [8.51896515e-01 9.33170950e-01 8.28637612e-01] [6.48103485e-01 4.33170950e-01 6.71362388e-01] [3.51896515e-01 4.33170950e-01 8.28637612e-01] [8.51896515e-01 6.68290500e-02 3.28637612e-01] [1.48103485e-01 6.68290500e-02 1.71362388e-01] [3.51896515e-01 5.66829050e-01 3.28637612e-01] [6.48103485e-01 5.66829050e-01 1.71362388e-01] [9.15339777e-02 9.58108111e-01 4.94346732e-01] [9.08466022e-01 9.58108111e-01 5.65326850e-03] [5.91533978e-01 4.58108111e-01 4.94346732e-01] [4.08466022e-01 4.58108111e-01 5.65326850e-03] [9.08466022e-01 4.18918893e-02 5.05653268e-01] [9.15339777e-02 4.18918893e-02 9.94346732e-01] [4.08466022e-01 5.41891889e-01 5.05653268e-01] [5.91533978e-01 5.41891889e-01 9.94346732e-01] [6.07903473e-01 3.16190152e-01 8.01725978e-01] [3.92096527e-01 3.16190152e-01 6.98274022e-01] [1.07903473e-01 8.16190152e-01 8.01725978e-01] [8.92096527e-01 8.16190152e-01 6.98274022e-01] [3.92096527e-01 6.83809848e-01 1.98274022e-01] [6.07903473e-01 6.83809848e-01 3.01725978e-01] [8.92096527e-01 1.83809848e-01 1.98274022e-01] [1.07903473e-01 1.83809848e-01 3.01725978e-01] [5.40298122e-01 2.47302367e-01 6.81659822e-01] [4.59701878e-01 2.47302367e-01 8.18340178e-01] [4.02981216e-02 7.47302367e-01 6.81659822e-01] [9.59701878e-01 7.47302367e-01 8.18340178e-01] [4.59701878e-01 7.52697633e-01 3.18340178e-01] [5.40298122e-01 7.52697633e-01 1.81659822e-01] [9.59701878e-01 2.52697633e-01 3.18340178e-01] [4.02981216e-02 2.52697633e-01 1.81659822e-01] [7.72970175e-01 1.33691021e-01 6.39449163e-01] [2.27029825e-01 1.33691021e-01 8.60550837e-01] [2.72970175e-01 6.33691021e-01 6.39449163e-01] [7.27029825e-01 6.33691021e-01 8.60550837e-01] [2.27029825e-01 8.66308979e-01 3.60550837e-01] [7.72970175e-01 8.66308979e-01 1.39449163e-01] [7.27029825e-01 3.66308979e-01 3.60550837e-01] [2.72970175e-01 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3.03717719e-09 -2.26691371e-09 -4.15720117e-09] [-3.03717719e-09 -2.26691371e-09 4.15720117e-09] [ 3.03717719e-09 -2.26691371e-09 -4.15720117e-09] [ 1.28532278e-09 9.65535224e-09 -9.89457467e-11] [-1.28532278e-09 9.65535224e-09 9.89457467e-11] [ 1.28532278e-09 9.65535224e-09 -9.89457467e-11] [-1.28532278e-09 9.65535224e-09 9.89457467e-11] [-1.28532278e-09 -9.65535224e-09 9.89457467e-11] [ 1.28532278e-09 -9.65535224e-09 -9.89457467e-11] [-1.28532278e-09 -9.65535224e-09 9.89457467e-11] [ 1.28532278e-09 -9.65535224e-09 -9.89457467e-11] [-6.00288346e-09 3.63134675e-09 1.98832101e-09] [ 6.00288346e-09 3.63134675e-09 -1.98832101e-09] [-6.00288346e-09 3.63134675e-09 1.98832101e-09] [ 6.00288346e-09 3.63134675e-09 -1.98832101e-09] [ 6.00288346e-09 -3.63134675e-09 -1.98832101e-09] [-6.00288346e-09 -3.63134675e-09 1.98832101e-09] [ 6.00288346e-09 -3.63134675e-09 -1.98832101e-09] [-6.00288346e-09 -3.63134675e-09 1.98832101e-09] [-1.43950343e-09 -1.29811382e-09 3.09404688e-09] [ 1.43950343e-09 -1.29811382e-09 -3.09404688e-09] [-1.43950343e-09 -1.29811382e-09 3.09404688e-09] [ 1.43950343e-09 -1.29811382e-09 -3.09404688e-09] [ 1.43950343e-09 1.29811382e-09 -3.09404688e-09] [-1.43950343e-09 1.29811382e-09 3.09404688e-09] [ 1.43950343e-09 1.29811382e-09 -3.09404688e-09] [-1.43950343e-09 1.29811382e-09 3.09404688e-09] [-7.80930839e-09 -1.47482559e-10 -4.14670973e-09] [ 7.80930839e-09 -1.47482559e-10 4.14670973e-09] [-7.80930839e-09 -1.47482559e-10 -4.14670973e-09] [ 7.80930839e-09 -1.47482559e-10 4.14670973e-09] [ 7.80930839e-09 1.47482559e-10 4.14670973e-09] [-7.80930839e-09 1.47482559e-10 -4.14670973e-09] [ 7.80930839e-09 1.47482559e-10 4.14670973e-09] [-7.80930839e-09 1.47482559e-10 -4.14670973e-09] [ 2.31759226e-09 7.83726340e-10 1.81445811e-09] [-2.31759226e-09 7.83726340e-10 -1.81445811e-09] [ 2.31759226e-09 7.83726340e-10 1.81445811e-09] [-2.31759226e-09 7.83726340e-10 -1.81445811e-09] [-2.31759226e-09 -7.83726340e-10 -1.81445811e-09] [ 2.31759226e-09 -7.83726340e-10 1.81445811e-09] [-2.31759226e-09 -7.83726340e-10 -1.81445811e-09] [ 2.31759226e-09 -7.83726340e-10 1.81445811e-09] [ 2.27659556e-10 4.04047579e-09 -1.45594509e-09] [-2.27659556e-10 4.04047579e-09 1.45594509e-09] [ 2.27659556e-10 4.04047579e-09 -1.45594509e-09] [-2.27659556e-10 4.04047579e-09 1.45594509e-09] [-2.27659556e-10 -4.04047579e-09 1.45594509e-09] [ 2.27659556e-10 -4.04047579e-09 -1.45594509e-09] [-2.27659556e-10 -4.04047579e-09 1.45594509e-09] [ 2.27659556e-10 -4.04047579e-09 -1.45594509e-09] [ 1.04581052e-09 1.61801515e-09 -1.93080920e-09] [-1.04581052e-09 1.61801515e-09 1.93080920e-09] [ 1.04581052e-09 1.61801515e-09 -1.93080920e-09] [-1.04581052e-09 1.61801515e-09 1.93080920e-09] [-1.04581052e-09 -1.61801515e-09 1.93080920e-09] [ 1.04581052e-09 -1.61801515e-09 -1.93080920e-09] [-1.04581052e-09 -1.61801515e-09 1.93080920e-09] [ 1.04581052e-09 -1.61801515e-09 -1.93080920e-09] [-8.66096317e-09 3.31951368e-09 2.62977621e-09] [ 8.66096317e-09 3.31951368e-09 -2.62977621e-09] [-8.66096317e-09 3.31951368e-09 2.62977621e-09] [ 8.66096317e-09 3.31951368e-09 -2.62977621e-09] [ 8.66096317e-09 -3.31951368e-09 -2.62977621e-09] [-8.66096317e-09 -3.31951368e-09 2.62977621e-09] [ 8.66096317e-09 -3.31951368e-09 -2.62977621e-09] [-8.66096317e-09 -3.31951368e-09 2.62977621e-09]] stress = [-5.46672401e-11 -3.15500413e-11 -3.82794304e-11 3.33723748e-33 9.93709439e-12 -1.54852704e-32] energy per atom = -2.0912158214301395 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0