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: SW_StillingerWeber_1985_Si__MO_405512056662_006 ==== 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 15:17:57 -683.439676 2.081594 BFGS: 1 15:17:57 -684.255782 1.040857 BFGS: 2 15:17:58 -684.629766 0.277670 BFGS: 3 15:17:58 -684.695417 0.252269 BFGS: 4 15:17:58 -684.819775 0.208306 BFGS: 5 15:17:59 -684.871180 0.156906 BFGS: 6 15:17:59 -684.907819 0.131629 BFGS: 7 15:17:59 -684.930399 0.102855 BFGS: 8 15:18:00 -684.946996 0.089314 BFGS: 9 15:18:00 -684.955836 0.068309 BFGS: 10 15:18:00 -684.961718 0.064472 BFGS: 11 15:18:00 -684.966565 0.067059 BFGS: 12 15:18:00 -684.971135 0.069029 BFGS: 13 15:18:00 -684.975671 0.069630 BFGS: 14 15:18:00 -684.980586 0.068616 BFGS: 15 15:18:00 -684.985524 0.066225 BFGS: 16 15:18:01 -684.989435 0.063662 BFGS: 17 15:18:01 -684.992044 0.062126 BFGS: 18 15:18:01 -684.994153 0.061502 BFGS: 19 15:18:01 -684.996323 0.061365 BFGS: 20 15:18:01 -684.998332 0.061397 BFGS: 21 15:18:01 -684.999867 0.061233 BFGS: 22 15:18:01 -685.001049 0.060719 BFGS: 23 15:18:02 -685.002222 0.059812 BFGS: 24 15:18:02 -685.003589 0.058445 BFGS: 25 15:18:02 -685.005147 0.056673 BFGS: 26 15:18:02 -685.006803 0.054655 BFGS: 27 15:18:02 -685.008371 0.052639 BFGS: 28 15:18:02 -685.009633 0.050911 BFGS: 29 15:18:02 -685.010609 0.049459 BFGS: 30 15:18:02 -685.011615 0.047788 BFGS: 31 15:18:03 -685.013069 0.045105 BFGS: 32 15:18:04 -685.015246 0.044191 BFGS: 33 15:18:04 -685.017897 0.045914 BFGS: 34 15:18:05 -685.020265 0.046862 BFGS: 35 15:18:05 -685.022039 0.045937 BFGS: 36 15:18:06 -685.023583 0.044984 BFGS: 37 15:18:06 -685.025262 0.045203 BFGS: 38 15:18:06 -685.027050 0.047212 BFGS: 39 15:18:07 -685.028766 0.050372 BFGS: 40 15:18:07 -685.030369 0.053245 BFGS: 41 15:18:07 -685.031868 0.054575 BFGS: 42 15:18:08 -685.033155 0.053809 BFGS: 43 15:18:08 -685.034188 0.051712 BFGS: 44 15:18:08 -685.035145 0.049443 BFGS: 45 15:18:09 -685.036240 0.047654 BFGS: 46 15:18:09 -685.037502 0.047029 BFGS: 47 15:18:09 -685.038751 0.047815 BFGS: 48 15:18:10 -685.039836 0.049201 BFGS: 49 15:18:10 -685.040799 0.050067 BFGS: 50 15:18:10 -685.041759 0.049754 BFGS: 51 15:18:11 -685.042733 0.048096 BFGS: 52 15:18:11 -685.043637 0.045698 BFGS: 53 15:18:11 -685.044412 0.043638 BFGS: 54 15:18:12 -685.045087 0.042529 BFGS: 55 15:18:12 -685.045742 0.042246 BFGS: 56 15:18:12 -685.046442 0.042242 BFGS: 57 15:18:13 -685.047174 0.041766 BFGS: 58 15:18:13 -685.047821 0.040241 BFGS: 59 15:18:13 -685.048294 0.037927 BFGS: 60 15:18:14 -685.048657 0.035465 BFGS: 61 15:18:14 -685.049037 0.032885 BFGS: 62 15:18:14 -685.049534 0.030040 BFGS: 63 15:18:15 -685.050170 0.027202 BFGS: 64 15:18:16 -685.050878 0.024907 BFGS: 65 15:18:16 -685.051535 0.023428 BFGS: 66 15:18:16 -685.052071 0.022427 BFGS: 67 15:18:17 -685.052491 0.021342 BFGS: 68 15:18:17 -685.052842 0.019873 BFGS: 69 15:18:17 -685.053174 0.018018 BFGS: 70 15:18:18 -685.053517 0.015955 BFGS: 71 15:18:18 -685.053882 0.015249 BFGS: 72 15:18:18 -685.054272 0.020392 BFGS: 73 15:18:19 -685.054690 0.022627 BFGS: 74 15:18:19 -685.055125 0.020405 BFGS: 75 15:18:20 -685.055524 0.013965 BFGS: 76 15:18:20 -685.055828 0.012468 BFGS: 77 15:18:21 -685.056046 0.011387 BFGS: 78 15:18:21 -685.056228 0.011085 BFGS: 79 15:18:21 -685.056403 0.010237 BFGS: 80 15:18:22 -685.056554 0.009339 BFGS: 81 15:18:22 -685.056663 0.008070 BFGS: 82 15:18:22 -685.056741 0.007738 BFGS: 83 15:18:23 -685.056813 0.007912 BFGS: 84 15:18:23 -685.056887 0.006445 BFGS: 85 15:18:23 -685.056952 0.006069 BFGS: 86 15:18:23 -685.056999 0.004924 BFGS: 87 15:18:24 -685.057028 0.004868 BFGS: 88 15:18:24 -685.057052 0.004283 BFGS: 89 15:18:24 -685.057077 0.003826 BFGS: 90 15:18:25 -685.057102 0.004957 BFGS: 91 15:18:26 -685.057122 0.004228 BFGS: 92 15:18:28 -685.057134 0.002727 BFGS: 93 15:18:29 -685.057141 0.002609 BFGS: 94 15:18:29 -685.057147 0.002496 BFGS: 95 15:18:30 -685.057152 0.002387 BFGS: 96 15:18:31 -685.057159 0.002302 BFGS: 97 15:18:32 -685.057166 0.002290 BFGS: 98 15:18:32 -685.057172 0.002284 BFGS: 99 15:18:33 -685.057176 0.002324 BFGS: 100 15:18:33 -685.057178 0.002343 BFGS: 101 15:18:34 -685.057179 0.002337 BFGS: 102 15:18:36 -685.057180 0.002306 BFGS: 103 15:18:36 -685.057183 0.002245 BFGS: 104 15:18:37 -685.057185 0.002164 BFGS: 105 15:18:38 -685.057188 0.002097 BFGS: 106 15:18:38 -685.057189 0.002069 BFGS: 107 15:18:39 -685.057190 0.002065 BFGS: 108 15:18:40 -685.057192 0.002065 BFGS: 109 15:18:40 -685.057193 0.002050 BFGS: 110 15:18:41 -685.057195 0.002003 BFGS: 111 15:18:41 -685.057199 0.001902 BFGS: 112 15:18:41 -685.057203 0.001767 BFGS: 113 15:18:41 -685.057209 0.001635 BFGS: 114 15:18:42 -685.057214 0.002298 BFGS: 115 15:18:42 -685.057220 0.002748 BFGS: 116 15:18:42 -685.057225 0.002455 BFGS: 117 15:18:43 -685.057229 0.001631 BFGS: 118 15:18:44 -685.057233 0.001822 BFGS: 119 15:18:45 -685.057239 0.001870 BFGS: 120 15:18:46 -685.057245 0.002204 BFGS: 121 15:18:46 -685.057250 0.001979 BFGS: 122 15:18:47 -685.057255 0.001622 BFGS: 123 15:18:48 -685.057258 0.001453 BFGS: 124 15:18:48 -685.057260 0.001024 BFGS: 125 15:18:49 -685.057261 0.000854 BFGS: 126 15:18:50 -685.057262 0.000805 BFGS: 127 15:18:51 -685.057263 0.000910 BFGS: 128 15:18:52 -685.057264 0.000992 BFGS: 129 15:18:53 -685.057265 0.000656 BFGS: 130 15:18:54 -685.057265 0.000522 BFGS: 131 15:18:56 -685.057266 0.000402 BFGS: 132 15:18:57 -685.057266 0.000328 BFGS: 133 15:18:59 -685.057266 0.000297 BFGS: 134 15:19:00 -685.057266 0.000312 BFGS: 135 15:19:02 -685.057266 0.000311 BFGS: 136 15:19:03 -685.057266 0.000398 BFGS: 137 15:19:04 -685.057266 0.000310 BFGS: 138 15:19:06 -685.057266 0.000139 BFGS: 139 15:19:06 -685.057266 0.000082 BFGS: 140 15:19:07 -685.057266 0.000086 BFGS: 141 15:19:07 -685.057266 0.000094 BFGS: 142 15:19:07 -685.057266 0.000085 BFGS: 143 15:19:08 -685.057266 0.000069 BFGS: 144 15:19:10 -685.057266 0.000036 BFGS: 145 15:19:11 -685.057266 0.000023 BFGS: 146 15:19:12 -685.057266 0.000014 BFGS: 147 15:19:13 -685.057266 0.000014 BFGS: 148 15:19:15 -685.057266 0.000014 BFGS: 149 15:19:16 -685.057266 0.000014 BFGS: 150 15:19:16 -685.057266 0.000014 BFGS: 151 15:19:17 -685.057266 0.000014 BFGS: 152 15:19:17 -685.057266 0.000014 BFGS: 153 15:19:17 -685.057266 0.000014 BFGS: 154 15:19:18 -685.057266 0.000014 BFGS: 155 15:19:19 -685.057266 0.000013 BFGS: 156 15:19:19 -685.057266 0.000013 BFGS: 157 15:19:20 -685.057266 0.000013 BFGS: 158 15:19:20 -685.057266 0.000013 BFGS: 159 15:19:21 -685.057266 0.000013 BFGS: 160 15:19:21 -685.057266 0.000012 BFGS: 161 15:19:22 -685.057266 0.000012 BFGS: 162 15:19:23 -685.057266 0.000011 BFGS: 163 15:19:24 -685.057266 0.000013 BFGS: 164 15:19:24 -685.057266 0.000018 BFGS: 165 15:19:24 -685.057266 0.000022 BFGS: 166 15:19:25 -685.057266 0.000024 BFGS: 167 15:19:25 -685.057266 0.000015 BFGS: 168 15:19:26 -685.057266 0.000007 BFGS: 169 15:19:27 -685.057266 0.000006 BFGS: 170 15:19:27 -685.057266 0.000009 BFGS: 171 15:19:28 -685.057266 0.000010 BFGS: 172 15:19:28 -685.057266 0.000007 BFGS: 173 15:19:28 -685.057266 0.000004 BFGS: 174 15:19:29 -685.057266 0.000002 BFGS: 175 15:19:29 -685.057266 0.000001 BFGS: 176 15:19:29 -685.057266 0.000001 BFGS: 177 15:19:29 -685.057266 0.000001 BFGS: 178 15:19:30 -685.057266 0.000001 BFGS: 179 15:19:31 -685.057266 0.000001 BFGS: 180 15:19:31 -685.057266 0.000001 BFGS: 181 15:19:31 -685.057266 0.000000 BFGS: 182 15:19:31 -685.057266 0.000000 BFGS: 183 15:19:32 -685.057266 0.000000 BFGS: 184 15:19:32 -685.057266 0.000000 BFGS: 185 15:19:32 -685.057266 0.000000 BFGS: 186 15:19:33 -685.057266 0.000000 BFGS: 187 15:19:33 -685.057266 0.000000 BFGS: 188 15:19:34 -685.057266 0.000000 BFGS: 189 15:19:35 -685.057266 0.000000 BFGS: 190 15:19:35 -685.057266 0.000000 BFGS: 191 15:19:36 -685.057266 0.000000 BFGS: 192 15:19:36 -685.057266 0.000000 BFGS: 193 15:19:37 -685.057266 0.000000 BFGS: 194 15:19:37 -685.057266 0.000000 BFGS: 195 15:19:37 -685.057266 0.000000 BFGS: 196 15:19:38 -685.057266 0.000000 BFGS: 197 15:19:38 -685.057266 0.000000 BFGS: 198 15:19:39 -685.057266 0.000000 BFGS: 199 15:19:40 -685.057266 0.000000 BFGS: 200 15:19:40 -685.057266 0.000000 BFGS: 201 15:19:40 -685.057266 0.000000 BFGS: 202 15:19:41 -685.057266 0.000000 BFGS: 203 15:19:41 -685.057266 0.000000 BFGS: 204 15:19:41 -685.057266 0.000000 BFGS: 205 15:19:42 -685.057266 0.000000 BFGS: 206 15:19:42 -685.057266 0.000000 BFGS: 207 15:19:42 -685.057266 0.000000 BFGS: 208 15:19:43 -685.057266 0.000000 BFGS: 209 15:19:43 -685.057266 0.000000 BFGS: 210 15:19:44 -685.057266 0.000000 BFGS: 211 15:19:44 -685.057266 0.000000 BFGS: 212 15:19:44 -685.057266 0.000000 BFGS: 213 15:19:45 -685.057266 0.000000 BFGS: 214 15:19:45 -685.057266 0.000000 BFGS: 215 15:19:45 -685.057266 0.000000 BFGS: 216 15:19:46 -685.057266 0.000000 BFGS: 217 15:19:46 -685.057266 0.000000 BFGS: 218 15:19:47 -685.057266 0.000000 BFGS: 219 15:19:47 -685.057266 0.000000 BFGS: 220 15:19:47 -685.057266 0.000000 BFGS: 221 15:19:48 -685.057266 0.000000 BFGS: 222 15:19:48 -685.057266 0.000000 BFGS: 223 15:19:48 -685.057266 0.000000 BFGS: 224 15:19:49 -685.057266 0.000000 BFGS: 225 15:19:49 -685.057266 0.000000 BFGS: 226 15:19:50 -685.057266 0.000000 BFGS: 227 15:19:51 -685.057266 0.000000 BFGS: 228 15:19:51 -685.057266 0.000000 BFGS: 229 15:19:52 -685.057266 0.000000 BFGS: 230 15:19:52 -685.057266 0.000000 BFGS: 231 15:19:53 -685.057266 0.000000 BFGS: 232 15:19:53 -685.057266 0.000000 BFGS: 233 15:19:54 -685.057266 0.000000 BFGS: 234 15:19:54 -685.057266 0.000000 BFGS: 235 15:19:54 -685.057266 0.000000 BFGS: 236 15:19:55 -685.057266 0.000000 Minimization converged after 236 steps. Maximum force component: 9.922617908862848e-09 eV/Angstrom Maximum stress component: 3.9301280309737766e-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 = [[2.62482058e-17 4.96994850e-01 2.50000000e-01] [5.00000000e-01 9.96994850e-01 2.50000000e-01] [0.00000000e+00 5.03005150e-01 7.50000000e-01] [5.00000000e-01 3.00515046e-03 7.50000000e-01] [3.13292188e-01 9.62546325e-01 6.04128888e-01] [6.86707812e-01 9.62546325e-01 8.95871112e-01] [8.13292188e-01 4.62546325e-01 6.04128888e-01] [1.86707812e-01 4.62546325e-01 8.95871112e-01] [6.86707812e-01 3.74536751e-02 3.95871112e-01] [3.13292188e-01 3.74536751e-02 1.04128888e-01] [1.86707812e-01 5.37453675e-01 3.95871112e-01] [8.13292188e-01 5.37453675e-01 1.04128888e-01] [1.47272799e-01 6.68458782e-02 7.97909756e-01] [8.52727201e-01 6.68458782e-02 7.02090244e-01] [6.47272799e-01 5.66845878e-01 7.97909756e-01] [3.52727201e-01 5.66845878e-01 7.02090244e-01] [8.52727201e-01 9.33154122e-01 2.02090244e-01] [1.47272799e-01 9.33154122e-01 2.97909756e-01] [3.52727201e-01 4.33154122e-01 2.02090244e-01] [6.47272799e-01 4.33154122e-01 2.97909756e-01] [1.48588539e-01 9.35025054e-01 6.71857740e-01] [8.51411461e-01 9.35025054e-01 8.28142260e-01] [6.48588539e-01 4.35025054e-01 6.71857740e-01] [3.51411461e-01 4.35025054e-01 8.28142260e-01] [8.51411461e-01 6.49749465e-02 3.28142260e-01] [1.48588539e-01 6.49749465e-02 1.71857740e-01] [3.51411461e-01 5.64974946e-01 3.28142260e-01] [6.48588539e-01 5.64974946e-01 1.71857740e-01] [9.17083852e-02 9.58458828e-01 4.94438024e-01] [9.08291615e-01 9.58458828e-01 5.56197627e-03] [5.91708385e-01 4.58458828e-01 4.94438024e-01] [4.08291615e-01 4.58458828e-01 5.56197627e-03] [9.08291615e-01 4.15411717e-02 5.05561976e-01] [9.17083852e-02 4.15411717e-02 9.94438024e-01] [4.08291615e-01 5.41541172e-01 5.05561976e-01] [5.91708385e-01 5.41541172e-01 9.94438024e-01] [6.07961412e-01 3.19437361e-01 8.00077869e-01] [3.92038588e-01 3.19437361e-01 6.99922131e-01] [1.07961412e-01 8.19437361e-01 8.00077869e-01] [8.92038588e-01 8.19437361e-01 6.99922131e-01] [3.92038588e-01 6.80562639e-01 1.99922131e-01] [6.07961412e-01 6.80562639e-01 3.00077869e-01] [8.92038588e-01 1.80562639e-01 1.99922131e-01] [1.07961412e-01 1.80562639e-01 3.00077869e-01] [5.40290898e-01 2.49125306e-01 6.81902183e-01] [4.59709102e-01 2.49125306e-01 8.18097817e-01] [4.02908981e-02 7.49125306e-01 6.81902183e-01] [9.59709102e-01 7.49125306e-01 8.18097817e-01] [4.59709102e-01 7.50874694e-01 3.18097817e-01] [5.40290898e-01 7.50874694e-01 1.81902183e-01] [9.59709102e-01 2.50874694e-01 3.18097817e-01] [4.02908981e-02 2.50874694e-01 1.81902183e-01] [7.72742785e-01 1.33185068e-01 6.42207641e-01] [2.27257215e-01 1.33185068e-01 8.57792359e-01] [2.72742785e-01 6.33185068e-01 6.42207641e-01] [7.27257215e-01 6.33185068e-01 8.57792359e-01] [2.27257215e-01 8.66814932e-01 3.57792359e-01] [7.72742785e-01 8.66814932e-01 1.42207641e-01] [7.27257215e-01 3.66814932e-01 3.57792359e-01] [2.72742785e-01 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1.70121960e-09 6.90110580e-09 -3.98308538e-09] [-1.70121960e-09 6.90110580e-09 3.98308538e-09] [ 1.70121960e-09 6.90110580e-09 -3.98308538e-09] [-3.12922687e-09 -1.77104571e-09 8.69438554e-09] [ 3.12922687e-09 -1.77104571e-09 -8.69438554e-09] [-3.12922687e-09 -1.77104571e-09 8.69438554e-09] [ 3.12922687e-09 -1.77104571e-09 -8.69438554e-09] [ 3.12922687e-09 1.77104571e-09 -8.69438554e-09] [-3.12922687e-09 1.77104571e-09 8.69438554e-09] [ 3.12922687e-09 1.77104571e-09 -8.69438554e-09] [-3.12922687e-09 1.77104571e-09 8.69438554e-09] [ 2.39007310e-10 -1.99053919e-10 -9.92261791e-09] [-2.39007310e-10 -1.99053919e-10 9.92261791e-09] [ 2.39007310e-10 -1.99053919e-10 -9.92261791e-09] [-2.39007310e-10 -1.99053919e-10 9.92261791e-09] [-2.39007310e-10 1.99053919e-10 9.92261791e-09] [ 2.39007310e-10 1.99053919e-10 -9.92261791e-09] [-2.39007310e-10 1.99053919e-10 9.92261791e-09] [ 2.39007310e-10 1.99053919e-10 -9.92261791e-09] [-9.12070055e-10 3.97243720e-09 7.15603642e-09] [ 9.12070055e-10 3.97243720e-09 -7.15603642e-09] [-9.12070055e-10 3.97243720e-09 7.15603642e-09] [ 9.12070055e-10 3.97243720e-09 -7.15603642e-09] [ 9.12070055e-10 -3.97243720e-09 -7.15603642e-09] [-9.12070055e-10 -3.97243720e-09 7.15603642e-09] [ 9.12070055e-10 -3.97243720e-09 -7.15603642e-09] [-9.12070055e-10 -3.97243720e-09 7.15603642e-09] [ 1.85295327e-09 1.25461766e-10 4.73546532e-09] [-1.85295327e-09 1.25461766e-10 -4.73546532e-09] [ 1.85295327e-09 1.25461766e-10 4.73546532e-09] [-1.85295327e-09 1.25461766e-10 -4.73546532e-09] [-1.85295327e-09 -1.25461766e-10 -4.73546532e-09] [ 1.85295327e-09 -1.25461766e-10 4.73546532e-09] [-1.85295327e-09 -1.25461766e-10 -4.73546532e-09] [ 1.85295327e-09 -1.25461766e-10 4.73546532e-09] [ 1.92345188e-09 -9.07841852e-10 -1.22952558e-10] [-1.92345188e-09 -9.07841852e-10 1.22952558e-10] [ 1.92345188e-09 -9.07841852e-10 -1.22952558e-10] [-1.92345188e-09 -9.07841852e-10 1.22952558e-10] [-1.92345188e-09 9.07841852e-10 1.22952558e-10] [ 1.92345188e-09 9.07841852e-10 -1.22952558e-10] [-1.92345188e-09 9.07841852e-10 1.22952558e-10] [ 1.92345188e-09 9.07841852e-10 -1.22952558e-10] [-6.13203952e-09 4.45677386e-09 -7.09711559e-10] [ 6.13203952e-09 4.45677386e-09 7.09711559e-10] [-6.13203952e-09 4.45677386e-09 -7.09711559e-10] [ 6.13203952e-09 4.45677386e-09 7.09711559e-10] [ 6.13203952e-09 -4.45677386e-09 7.09711559e-10] [-6.13203952e-09 -4.45677386e-09 -7.09711559e-10] [ 6.13203952e-09 -4.45677386e-09 7.09711559e-10] [-6.13203952e-09 -4.45677386e-09 -7.09711559e-10] [-3.81194338e-09 2.58981571e-09 5.43917123e-10] [ 3.81194338e-09 2.58981571e-09 -5.43917123e-10] [-3.81194338e-09 2.58981571e-09 5.43917123e-10] [ 3.81194338e-09 2.58981571e-09 -5.43917123e-10] [ 3.81194338e-09 -2.58981571e-09 -5.43917123e-10] [-3.81194338e-09 -2.58981571e-09 5.43917123e-10] [ 3.81194338e-09 -2.58981571e-09 -5.43917123e-10] [-3.81194338e-09 -2.58981571e-09 5.43917123e-10] [ 1.19870349e-09 2.10002030e-09 -6.08610876e-09] [-1.19870349e-09 2.10002030e-09 6.08610876e-09] [ 1.19870349e-09 2.10002030e-09 -6.08610876e-09] [-1.19870349e-09 2.10002030e-09 6.08610876e-09] [-1.19870349e-09 -2.10002030e-09 6.08610876e-09] [ 1.19870349e-09 -2.10002030e-09 -6.08610876e-09] [-1.19870349e-09 -2.10002030e-09 6.08610876e-09] [ 1.19870349e-09 -2.10002030e-09 -6.08610876e-09]] stress = [-3.52573366e-12 -3.93012803e-11 -8.32369195e-12 2.71578899e-33 1.02989089e-11 3.01221040e-33] energy per atom = -4.177178453892743 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0