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_LeeHwang_2012LDA_Si__MO_517338295712_001 ==== 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 15:17:36 -466.143833 1.889124 BFGS: 1 15:17:37 -466.825245 1.135388 BFGS: 2 15:17:37 -467.346378 0.280584 BFGS: 3 15:17:37 -467.402121 0.260496 BFGS: 4 15:17:38 -467.515931 0.204769 BFGS: 5 15:17:38 -467.570403 0.178732 BFGS: 6 15:17:38 -467.609788 0.176165 BFGS: 7 15:17:38 -467.634210 0.174171 BFGS: 8 15:17:39 -467.657909 0.172943 BFGS: 9 15:17:39 -467.676191 0.172977 BFGS: 10 15:17:39 -467.689662 0.173447 BFGS: 11 15:17:39 -467.700425 0.173476 BFGS: 12 15:17:39 -467.711471 0.172511 BFGS: 13 15:17:39 -467.722565 0.170131 BFGS: 14 15:17:40 -467.733172 0.166377 BFGS: 15 15:17:40 -467.743859 0.161609 BFGS: 16 15:17:40 -467.756687 0.155691 BFGS: 17 15:17:40 -467.772523 0.148719 BFGS: 18 15:17:40 -467.787057 0.142910 BFGS: 19 15:17:41 -467.798884 0.138248 BFGS: 20 15:17:41 -467.806899 0.135298 BFGS: 21 15:17:41 -467.817142 0.130657 BFGS: 22 15:17:41 -467.828360 0.123664 BFGS: 23 15:17:42 -467.838752 0.115366 BFGS: 24 15:17:42 -467.847651 0.106630 BFGS: 25 15:17:42 -467.854333 0.100795 BFGS: 26 15:17:42 -467.862229 0.096741 BFGS: 27 15:17:43 -467.870282 0.092473 BFGS: 28 15:17:43 -467.877644 0.088119 BFGS: 29 15:17:43 -467.884848 0.083530 BFGS: 30 15:17:43 -467.893194 0.090702 BFGS: 31 15:17:44 -467.901437 0.105142 BFGS: 32 15:17:44 -467.909243 0.097466 BFGS: 33 15:17:44 -467.916055 0.071427 BFGS: 34 15:17:44 -467.921613 0.061144 BFGS: 35 15:17:44 -467.926317 0.051740 BFGS: 36 15:17:45 -467.931612 0.076727 BFGS: 37 15:17:45 -467.938683 0.082640 BFGS: 38 15:17:45 -467.944177 0.050447 BFGS: 39 15:17:45 -467.947858 0.052482 BFGS: 40 15:17:46 -467.950430 0.046045 BFGS: 41 15:17:46 -467.952629 0.047381 BFGS: 42 15:17:46 -467.954410 0.049645 BFGS: 43 15:17:46 -467.955854 0.051952 BFGS: 44 15:17:46 -467.957211 0.053569 BFGS: 45 15:17:47 -467.958607 0.053992 BFGS: 46 15:17:47 -467.959804 0.052986 BFGS: 47 15:17:47 -467.960656 0.051384 BFGS: 48 15:17:47 -467.961329 0.050051 BFGS: 49 15:17:47 -467.961984 0.049288 BFGS: 50 15:17:48 -467.962582 0.049323 BFGS: 51 15:17:48 -467.963053 0.049921 BFGS: 52 15:17:48 -467.963453 0.050548 BFGS: 53 15:17:48 -467.963899 0.050893 BFGS: 54 15:17:48 -467.964407 0.050670 BFGS: 55 15:17:49 -467.964891 0.049842 BFGS: 56 15:17:49 -467.965340 0.048749 BFGS: 57 15:17:49 -467.965870 0.047540 BFGS: 58 15:17:49 -467.966596 0.046222 BFGS: 59 15:17:49 -467.967472 0.046635 BFGS: 60 15:17:50 -467.968307 0.044201 BFGS: 61 15:17:50 -467.969025 0.043553 BFGS: 62 15:17:50 -467.969750 0.042574 BFGS: 63 15:17:50 -467.970608 0.040752 BFGS: 64 15:17:51 -467.971580 0.037976 BFGS: 65 15:17:51 -467.972618 0.034660 BFGS: 66 15:17:51 -467.973774 0.031192 BFGS: 67 15:17:51 -467.975103 0.038531 BFGS: 68 15:17:52 -467.976465 0.044217 BFGS: 69 15:17:52 -467.977730 0.033163 BFGS: 70 15:17:52 -467.978873 0.024703 BFGS: 71 15:17:53 -467.980151 0.038117 BFGS: 72 15:17:53 -467.981520 0.036323 BFGS: 73 15:17:53 -467.982679 0.028274 BFGS: 74 15:17:53 -467.983473 0.020365 BFGS: 75 15:17:54 -467.984112 0.019234 BFGS: 76 15:17:54 -467.984749 0.026361 BFGS: 77 15:17:54 -467.985298 0.024371 BFGS: 78 15:17:54 -467.985674 0.013620 BFGS: 79 15:17:55 -467.985961 0.013274 BFGS: 80 15:17:55 -467.986281 0.017747 BFGS: 81 15:17:55 -467.986646 0.019519 BFGS: 82 15:17:56 -467.986963 0.015473 BFGS: 83 15:17:56 -467.987192 0.014170 BFGS: 84 15:17:56 -467.987379 0.014922 BFGS: 85 15:17:56 -467.987552 0.014579 BFGS: 86 15:17:57 -467.987684 0.013592 BFGS: 87 15:17:57 -467.987764 0.009387 BFGS: 88 15:17:57 -467.987820 0.007379 BFGS: 89 15:17:58 -467.987873 0.008298 BFGS: 90 15:17:58 -467.987921 0.006250 BFGS: 91 15:17:58 -467.987957 0.005021 BFGS: 92 15:17:59 -467.987987 0.006728 BFGS: 93 15:17:59 -467.988015 0.007280 BFGS: 94 15:17:59 -467.988041 0.004791 BFGS: 95 15:17:59 -467.988058 0.002858 BFGS: 96 15:18:00 -467.988070 0.002782 BFGS: 97 15:18:00 -467.988082 0.004101 BFGS: 98 15:18:00 -467.988092 0.003406 BFGS: 99 15:18:00 -467.988099 0.002284 BFGS: 100 15:18:01 -467.988104 0.002257 BFGS: 101 15:18:01 -467.988109 0.003018 BFGS: 102 15:18:01 -467.988115 0.002975 BFGS: 103 15:18:01 -467.988120 0.002283 BFGS: 104 15:18:01 -467.988124 0.002279 BFGS: 105 15:18:01 -467.988127 0.002256 BFGS: 106 15:18:02 -467.988130 0.002660 BFGS: 107 15:18:02 -467.988133 0.002159 BFGS: 108 15:18:02 -467.988135 0.002117 BFGS: 109 15:18:03 -467.988137 0.002101 BFGS: 110 15:18:03 -467.988139 0.002097 BFGS: 111 15:18:03 -467.988140 0.002085 BFGS: 112 15:18:03 -467.988142 0.002067 BFGS: 113 15:18:04 -467.988143 0.002047 BFGS: 114 15:18:04 -467.988145 0.002025 BFGS: 115 15:18:04 -467.988146 0.001998 BFGS: 116 15:18:04 -467.988147 0.001966 BFGS: 117 15:18:04 -467.988149 0.001929 BFGS: 118 15:18:05 -467.988151 0.001882 BFGS: 119 15:18:05 -467.988154 0.002403 BFGS: 120 15:18:05 -467.988158 0.002351 BFGS: 121 15:18:05 -467.988161 0.001643 BFGS: 122 15:18:05 -467.988165 0.001559 BFGS: 123 15:18:06 -467.988169 0.001949 BFGS: 124 15:18:06 -467.988174 0.002764 BFGS: 125 15:18:06 -467.988179 0.002482 BFGS: 126 15:18:06 -467.988184 0.001837 BFGS: 127 15:18:06 -467.988188 0.002252 BFGS: 128 15:18:07 -467.988193 0.002468 BFGS: 129 15:18:07 -467.988198 0.002255 BFGS: 130 15:18:07 -467.988203 0.001494 BFGS: 131 15:18:07 -467.988207 0.001496 BFGS: 132 15:18:08 -467.988211 0.001868 BFGS: 133 15:18:08 -467.988215 0.002216 BFGS: 134 15:18:08 -467.988217 0.001491 BFGS: 135 15:18:09 -467.988219 0.000785 BFGS: 136 15:18:09 -467.988219 0.000615 BFGS: 137 15:18:09 -467.988220 0.000719 BFGS: 138 15:18:09 -467.988221 0.000735 BFGS: 139 15:18:10 -467.988221 0.000577 BFGS: 140 15:18:10 -467.988222 0.000645 BFGS: 141 15:18:10 -467.988222 0.000770 BFGS: 142 15:18:10 -467.988223 0.000536 BFGS: 143 15:18:10 -467.988223 0.000315 BFGS: 144 15:18:10 -467.988223 0.000303 BFGS: 145 15:18:11 -467.988223 0.000321 BFGS: 146 15:18:11 -467.988223 0.000241 BFGS: 147 15:18:11 -467.988223 0.000247 BFGS: 148 15:18:11 -467.988223 0.000234 BFGS: 149 15:18:11 -467.988224 0.000289 BFGS: 150 15:18:11 -467.988224 0.000227 BFGS: 151 15:18:12 -467.988224 0.000086 BFGS: 152 15:18:12 -467.988224 0.000076 BFGS: 153 15:18:12 -467.988224 0.000090 BFGS: 154 15:18:12 -467.988224 0.000086 BFGS: 155 15:18:12 -467.988224 0.000071 BFGS: 156 15:18:12 -467.988224 0.000061 BFGS: 157 15:18:12 -467.988224 0.000089 BFGS: 158 15:18:13 -467.988224 0.000091 BFGS: 159 15:18:13 -467.988224 0.000047 BFGS: 160 15:18:13 -467.988224 0.000017 BFGS: 161 15:18:13 -467.988224 0.000012 BFGS: 162 15:18:13 -467.988224 0.000013 BFGS: 163 15:18:13 -467.988224 0.000012 BFGS: 164 15:18:14 -467.988224 0.000011 BFGS: 165 15:18:14 -467.988224 0.000009 BFGS: 166 15:18:14 -467.988224 0.000009 BFGS: 167 15:18:14 -467.988224 0.000009 BFGS: 168 15:18:14 -467.988224 0.000009 BFGS: 169 15:18:14 -467.988224 0.000009 BFGS: 170 15:18:15 -467.988224 0.000009 BFGS: 171 15:18:15 -467.988224 0.000009 BFGS: 172 15:18:15 -467.988224 0.000009 BFGS: 173 15:18:15 -467.988224 0.000009 BFGS: 174 15:18:16 -467.988224 0.000008 BFGS: 175 15:18:16 -467.988224 0.000008 BFGS: 176 15:18:16 -467.988224 0.000008 BFGS: 177 15:18:16 -467.988224 0.000008 BFGS: 178 15:18:16 -467.988224 0.000007 BFGS: 179 15:18:17 -467.988224 0.000008 BFGS: 180 15:18:17 -467.988224 0.000008 BFGS: 181 15:18:17 -467.988224 0.000012 BFGS: 182 15:18:17 -467.988224 0.000013 BFGS: 183 15:18:18 -467.988224 0.000010 BFGS: 184 15:18:18 -467.988224 0.000008 BFGS: 185 15:18:18 -467.988224 0.000006 BFGS: 186 15:18:18 -467.988224 0.000005 BFGS: 187 15:18:19 -467.988224 0.000004 BFGS: 188 15:18:19 -467.988224 0.000004 BFGS: 189 15:18:19 -467.988224 0.000005 BFGS: 190 15:18:19 -467.988224 0.000005 BFGS: 191 15:18:20 -467.988224 0.000003 BFGS: 192 15:18:20 -467.988224 0.000001 BFGS: 193 15:18:20 -467.988224 0.000001 BFGS: 194 15:18:20 -467.988224 0.000001 BFGS: 195 15:18:20 -467.988224 0.000001 BFGS: 196 15:18:21 -467.988224 0.000000 BFGS: 197 15:18:21 -467.988224 0.000001 BFGS: 198 15:18:21 -467.988224 0.000001 BFGS: 199 15:18:21 -467.988224 0.000000 BFGS: 200 15:18:22 -467.988224 0.000000 BFGS: 201 15:18:22 -467.988224 0.000000 BFGS: 202 15:18:22 -467.988224 0.000000 BFGS: 203 15:18:22 -467.988224 0.000000 BFGS: 204 15:18:22 -467.988224 0.000000 BFGS: 205 15:18:23 -467.988224 0.000000 BFGS: 206 15:18:23 -467.988224 0.000000 BFGS: 207 15:18:23 -467.988224 0.000000 BFGS: 208 15:18:23 -467.988224 0.000000 BFGS: 209 15:18:24 -467.988224 0.000000 BFGS: 210 15:18:24 -467.988224 0.000000 BFGS: 211 15:18:24 -467.988224 0.000000 BFGS: 212 15:18:24 -467.988224 0.000000 BFGS: 213 15:18:25 -467.988224 0.000000 BFGS: 214 15:18:25 -467.988224 0.000000 BFGS: 215 15:18:25 -467.988224 0.000000 BFGS: 216 15:18:25 -467.988224 0.000000 BFGS: 217 15:18:26 -467.988224 0.000000 BFGS: 218 15:18:26 -467.988224 0.000000 BFGS: 219 15:18:26 -467.988224 0.000000 BFGS: 220 15:18:27 -467.988224 0.000000 BFGS: 221 15:18:27 -467.988224 0.000000 BFGS: 222 15:18:27 -467.988224 0.000000 BFGS: 223 15:18:27 -467.988224 0.000000 BFGS: 224 15:18:28 -467.988224 0.000000 BFGS: 225 15:18:28 -467.988224 0.000000 BFGS: 226 15:18:28 -467.988224 0.000000 BFGS: 227 15:18:29 -467.988224 0.000000 BFGS: 228 15:18:29 -467.988224 0.000000 BFGS: 229 15:18:29 -467.988224 0.000000 BFGS: 230 15:18:29 -467.988224 0.000000 BFGS: 231 15:18:30 -467.988224 0.000000 BFGS: 232 15:18:30 -467.988224 0.000000 BFGS: 233 15:18:30 -467.988224 0.000000 BFGS: 234 15:18:31 -467.988224 0.000000 BFGS: 235 15:18:31 -467.988224 0.000000 BFGS: 236 15:18:31 -467.988224 0.000000 BFGS: 237 15:18:31 -467.988224 0.000000 BFGS: 238 15:18:32 -467.988224 0.000000 BFGS: 239 15:18:32 -467.988224 0.000000 BFGS: 240 15:18:32 -467.988224 0.000000 Minimization converged after 240 steps. Maximum force component: 9.805530313058974e-09 eV/Angstrom Maximum stress component: 2.6003784412744547e-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 = [[2.63763162e-17 4.98506526e-01 2.50000000e-01] [5.00000000e-01 9.98506526e-01 2.50000000e-01] [3.95647020e-17 5.01493474e-01 7.50000000e-01] [5.00000000e-01 1.49347377e-03 7.50000000e-01] [3.13500823e-01 9.62712420e-01 6.02805875e-01] [6.86499177e-01 9.62712420e-01 8.97194125e-01] [8.13500823e-01 4.62712420e-01 6.02805875e-01] [1.86499177e-01 4.62712420e-01 8.97194125e-01] [6.86499177e-01 3.72875802e-02 3.97194125e-01] [3.13500823e-01 3.72875802e-02 1.02805875e-01] [1.86499177e-01 5.37287580e-01 3.97194125e-01] [8.13500823e-01 5.37287580e-01 1.02805875e-01] [1.47245276e-01 6.70745229e-02 7.97651612e-01] [8.52754724e-01 6.70745229e-02 7.02348388e-01] [6.47245276e-01 5.67074523e-01 7.97651612e-01] [3.52754724e-01 5.67074523e-01 7.02348388e-01] [8.52754724e-01 9.32925477e-01 2.02348388e-01] [1.47245276e-01 9.32925477e-01 2.97651612e-01] [3.52754724e-01 4.32925477e-01 2.02348388e-01] [6.47245276e-01 4.32925477e-01 2.97651612e-01] [1.48745108e-01 9.35340542e-01 6.71834631e-01] [8.51254892e-01 9.35340542e-01 8.28165369e-01] [6.48745108e-01 4.35340542e-01 6.71834631e-01] [3.51254892e-01 4.35340542e-01 8.28165369e-01] [8.51254892e-01 6.46594584e-02 3.28165369e-01] [1.48745108e-01 6.46594584e-02 1.71834631e-01] [3.51254892e-01 5.64659458e-01 3.28165369e-01] [6.48745108e-01 5.64659458e-01 1.71834631e-01] [9.19614262e-02 9.58413522e-01 4.94178826e-01] [9.08038574e-01 9.58413522e-01 5.82117448e-03] [5.91961426e-01 4.58413522e-01 4.94178826e-01] [4.08038574e-01 4.58413522e-01 5.82117448e-03] [9.08038574e-01 4.15864780e-02 5.05821174e-01] [9.19614262e-02 4.15864780e-02 9.94178826e-01] [4.08038574e-01 5.41586478e-01 5.05821174e-01] [5.91961426e-01 5.41586478e-01 9.94178826e-01] [6.08140851e-01 3.19982638e-01 8.00307296e-01] [3.91859149e-01 3.19982638e-01 6.99692704e-01] [1.08140851e-01 8.19982638e-01 8.00307296e-01] [8.91859149e-01 8.19982638e-01 6.99692704e-01] [3.91859149e-01 6.80017362e-01 1.99692704e-01] [6.08140851e-01 6.80017362e-01 3.00307296e-01] [8.91859149e-01 1.80017362e-01 1.99692704e-01] [1.08140851e-01 1.80017362e-01 3.00307296e-01] [5.40297357e-01 2.49658933e-01 6.82148593e-01] [4.59702643e-01 2.49658933e-01 8.17851407e-01] [4.02973570e-02 7.49658933e-01 6.82148593e-01] [9.59702643e-01 7.49658933e-01 8.17851407e-01] [4.59702643e-01 7.50341067e-01 3.17851407e-01] [5.40297357e-01 7.50341067e-01 1.82148593e-01] [9.59702643e-01 2.50341067e-01 3.17851407e-01] [4.02973570e-02 2.50341067e-01 1.82148593e-01] [7.72505201e-01 1.33172799e-01 6.43138612e-01] [2.27494799e-01 1.33172799e-01 8.56861388e-01] [2.72505201e-01 6.33172799e-01 6.43138612e-01] [7.27494799e-01 6.33172799e-01 8.56861388e-01] [2.27494799e-01 8.66827201e-01 3.56861388e-01] [7.72505201e-01 8.66827201e-01 1.43138612e-01] [7.27494799e-01 3.66827201e-01 3.56861388e-01] [2.72505201e-01 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3.91844349e-10 -1.85919457e-09 9.80553031e-09] [-3.91844349e-10 -1.85919457e-09 -9.80553031e-09] [ 3.91844349e-10 -1.85919457e-09 9.80553031e-09] [-4.84796580e-10 1.86486478e-10 -2.05932237e-09] [ 4.84796580e-10 1.86486478e-10 2.05932237e-09] [-4.84796580e-10 1.86486478e-10 -2.05932237e-09] [ 4.84796580e-10 1.86486478e-10 2.05932237e-09] [ 4.84796580e-10 -1.86486478e-10 2.05932237e-09] [-4.84796580e-10 -1.86486478e-10 -2.05932237e-09] [ 4.84796580e-10 -1.86486478e-10 2.05932237e-09] [-4.84796580e-10 -1.86486478e-10 -2.05932237e-09] [ 5.39488875e-09 4.36137378e-09 9.84630279e-11] [-5.39488875e-09 4.36137378e-09 -9.84630279e-11] [ 5.39488875e-09 4.36137378e-09 9.84630279e-11] [-5.39488875e-09 4.36137378e-09 -9.84630279e-11] [-5.39488875e-09 -4.36137378e-09 -9.84630279e-11] [ 5.39488875e-09 -4.36137378e-09 9.84630279e-11] [-5.39488875e-09 -4.36137378e-09 -9.84630279e-11] [ 5.39488875e-09 -4.36137378e-09 9.84630279e-11] [ 8.43489707e-10 1.55609603e-09 -1.84732377e-09] [-8.43489707e-10 1.55609603e-09 1.84732377e-09] [ 8.43489707e-10 1.55609603e-09 -1.84732377e-09] [-8.43489707e-10 1.55609603e-09 1.84732377e-09] [-8.43489707e-10 -1.55609603e-09 1.84732377e-09] [ 8.43489707e-10 -1.55609603e-09 -1.84732377e-09] [-8.43489707e-10 -1.55609603e-09 1.84732377e-09] [ 8.43489707e-10 -1.55609603e-09 -1.84732377e-09] [ 1.13920007e-09 -2.24379087e-09 -1.59691866e-09] [-1.13920007e-09 -2.24379087e-09 1.59691866e-09] [ 1.13920007e-09 -2.24379087e-09 -1.59691866e-09] [-1.13920007e-09 -2.24379087e-09 1.59691866e-09] [-1.13920007e-09 2.24379087e-09 1.59691866e-09] [ 1.13920007e-09 2.24379087e-09 -1.59691866e-09] [-1.13920007e-09 2.24379087e-09 1.59691866e-09] [ 1.13920007e-09 2.24379087e-09 -1.59691866e-09] [ 2.08964019e-09 2.61219127e-09 8.96331869e-10] [-2.08964019e-09 2.61219127e-09 -8.96331869e-10] [ 2.08964019e-09 2.61219127e-09 8.96331869e-10] [-2.08964019e-09 2.61219127e-09 -8.96331869e-10] [-2.08964019e-09 -2.61219127e-09 -8.96331869e-10] [ 2.08964019e-09 -2.61219127e-09 8.96331869e-10] [-2.08964019e-09 -2.61219127e-09 -8.96331869e-10] [ 2.08964019e-09 -2.61219127e-09 8.96331869e-10] [-1.14269872e-09 4.18950426e-09 1.70410255e-09] [ 1.14269872e-09 4.18950426e-09 -1.70410255e-09] [-1.14269872e-09 4.18950426e-09 1.70410255e-09] [ 1.14269872e-09 4.18950426e-09 -1.70410255e-09] [ 1.14269872e-09 -4.18950426e-09 -1.70410255e-09] [-1.14269872e-09 -4.18950426e-09 1.70410255e-09] [ 1.14269872e-09 -4.18950426e-09 -1.70410255e-09] [-1.14269872e-09 -4.18950426e-09 1.70410255e-09] [-5.71990197e-09 9.78660878e-10 2.44279398e-09] [ 5.71990197e-09 9.78660878e-10 -2.44279398e-09] [-5.71990197e-09 9.78660878e-10 2.44279398e-09] [ 5.71990197e-09 9.78660878e-10 -2.44279398e-09] [ 5.71990197e-09 -9.78660878e-10 -2.44279398e-09] [-5.71990197e-09 -9.78660878e-10 2.44279398e-09] [ 5.71990197e-09 -9.78660878e-10 -2.44279398e-09] [-5.71990197e-09 -9.78660878e-10 2.44279398e-09] [ 2.87915314e-10 1.92887538e-09 2.44039147e-09] [-2.87915314e-10 1.92887538e-09 -2.44039147e-09] [ 2.87915314e-10 1.92887538e-09 2.44039147e-09] [-2.87915314e-10 1.92887538e-09 -2.44039147e-09] [-2.87915314e-10 -1.92887538e-09 -2.44039147e-09] [ 2.87915314e-10 -1.92887538e-09 2.44039147e-09] [-2.87915314e-10 -1.92887538e-09 -2.44039147e-09] [ 2.87915314e-10 -1.92887538e-09 2.44039147e-09]] stress = [ 1.70071929e-11 2.60037844e-11 3.42653537e-12 1.64724775e-32 -1.11292246e-11 -1.14386390e-32] energy per atom = -2.853586729835816 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0