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_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005 ==== 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 15:17:31 -729.712596 2.222530 BFGS: 1 15:17:31 -730.622393 1.038576 BFGS: 2 15:17:31 -730.988391 0.293060 BFGS: 3 15:17:32 -731.062335 0.263015 BFGS: 4 15:17:33 -731.192747 0.213997 BFGS: 5 15:17:33 -731.246961 0.158302 BFGS: 6 15:17:34 -731.285322 0.135656 BFGS: 7 15:17:34 -731.308445 0.103198 BFGS: 8 15:17:34 -731.324670 0.091848 BFGS: 9 15:17:34 -731.333380 0.068367 BFGS: 10 15:17:34 -731.339413 0.069410 BFGS: 11 15:17:35 -731.344515 0.072093 BFGS: 12 15:17:35 -731.349540 0.073985 BFGS: 13 15:17:35 -731.354751 0.074302 BFGS: 14 15:17:36 -731.360237 0.072743 BFGS: 15 15:17:36 -731.365211 0.069862 BFGS: 16 15:17:36 -731.368828 0.067219 BFGS: 17 15:17:37 -731.371361 0.065757 BFGS: 18 15:17:37 -731.373652 0.065180 BFGS: 19 15:17:37 -731.375943 0.065152 BFGS: 20 15:17:38 -731.377881 0.065270 BFGS: 21 15:17:38 -731.379329 0.065089 BFGS: 22 15:17:38 -731.380571 0.064432 BFGS: 23 15:17:38 -731.381970 0.063168 BFGS: 24 15:17:38 -731.383658 0.061207 BFGS: 25 15:17:39 -731.385514 0.058750 BFGS: 26 15:17:39 -731.387262 0.056299 BFGS: 27 15:17:39 -731.388683 0.054310 BFGS: 28 15:17:39 -731.389809 0.052767 BFGS: 29 15:17:40 -731.390932 0.051126 BFGS: 30 15:17:40 -731.392465 0.048575 BFGS: 31 15:17:40 -731.394736 0.044313 BFGS: 32 15:17:41 -731.397613 0.048425 BFGS: 33 15:17:41 -731.400317 0.050945 BFGS: 34 15:17:41 -731.402336 0.050671 BFGS: 35 15:17:41 -731.403983 0.049466 BFGS: 36 15:17:42 -731.405770 0.048834 BFGS: 37 15:17:42 -731.407784 0.049835 BFGS: 38 15:17:42 -731.409739 0.052521 BFGS: 39 15:17:42 -731.411461 0.055581 BFGS: 40 15:17:43 -731.412984 0.057565 BFGS: 41 15:17:43 -731.414331 0.057637 BFGS: 42 15:17:43 -731.415481 0.055982 BFGS: 43 15:17:44 -731.416560 0.053575 BFGS: 44 15:17:44 -731.417776 0.051210 BFGS: 45 15:17:44 -731.419175 0.049751 BFGS: 46 15:17:44 -731.420546 0.049919 BFGS: 47 15:17:45 -731.421697 0.051241 BFGS: 48 15:17:45 -731.422704 0.052511 BFGS: 49 15:17:45 -731.423738 0.052836 BFGS: 50 15:17:45 -731.424803 0.051627 BFGS: 51 15:17:46 -731.425743 0.049183 BFGS: 52 15:17:46 -731.426507 0.046640 BFGS: 53 15:17:46 -731.427212 0.044660 BFGS: 54 15:17:46 -731.427974 0.043318 BFGS: 55 15:17:47 -731.428779 0.042534 BFGS: 56 15:17:47 -731.429507 0.041906 BFGS: 57 15:17:47 -731.430065 0.040880 BFGS: 58 15:17:47 -731.430493 0.039211 BFGS: 59 15:17:48 -731.430906 0.036831 BFGS: 60 15:17:48 -731.431418 0.033558 BFGS: 61 15:17:48 -731.432093 0.029500 BFGS: 62 15:17:48 -731.432887 0.025533 BFGS: 63 15:17:49 -731.433636 0.022995 BFGS: 64 15:17:49 -731.434217 0.022209 BFGS: 65 15:17:49 -731.434658 0.022140 BFGS: 66 15:17:49 -731.435044 0.021702 BFGS: 67 15:17:49 -731.435418 0.020317 BFGS: 68 15:17:50 -731.435795 0.017965 BFGS: 69 15:17:50 -731.436195 0.016269 BFGS: 70 15:17:50 -731.436638 0.022008 BFGS: 71 15:17:50 -731.437116 0.024710 BFGS: 72 15:17:51 -731.437583 0.020644 BFGS: 73 15:17:51 -731.437979 0.013599 BFGS: 74 15:17:51 -731.438279 0.010692 BFGS: 75 15:17:51 -731.438506 0.010158 BFGS: 76 15:17:52 -731.438695 0.010834 BFGS: 77 15:17:52 -731.438867 0.010219 BFGS: 78 15:17:52 -731.439012 0.009139 BFGS: 79 15:17:53 -731.439119 0.007326 BFGS: 80 15:17:53 -731.439199 0.006447 BFGS: 81 15:17:53 -731.439273 0.007998 BFGS: 82 15:17:53 -731.439347 0.007198 BFGS: 83 15:17:54 -731.439408 0.005285 BFGS: 84 15:17:54 -731.439448 0.004494 BFGS: 85 15:17:54 -731.439474 0.004488 BFGS: 86 15:17:54 -731.439499 0.004349 BFGS: 87 15:17:55 -731.439526 0.004261 BFGS: 88 15:17:55 -731.439550 0.003905 BFGS: 89 15:17:55 -731.439565 0.002898 BFGS: 90 15:17:55 -731.439573 0.002837 BFGS: 91 15:17:56 -731.439579 0.002737 BFGS: 92 15:17:56 -731.439585 0.002607 BFGS: 93 15:17:56 -731.439593 0.002474 BFGS: 94 15:17:57 -731.439600 0.002386 BFGS: 95 15:17:57 -731.439607 0.002384 BFGS: 96 15:17:57 -731.439610 0.002438 BFGS: 97 15:17:58 -731.439612 0.002485 BFGS: 98 15:17:58 -731.439613 0.002503 BFGS: 99 15:17:58 -731.439615 0.002490 BFGS: 100 15:17:59 -731.439618 0.002433 BFGS: 101 15:17:59 -731.439621 0.002336 BFGS: 102 15:17:59 -731.439623 0.002241 BFGS: 103 15:18:00 -731.439625 0.002190 BFGS: 104 15:18:00 -731.439626 0.002175 BFGS: 105 15:18:00 -731.439627 0.002168 BFGS: 106 15:18:01 -731.439629 0.002152 BFGS: 107 15:18:01 -731.439633 0.002099 BFGS: 108 15:18:01 -731.439637 0.001983 BFGS: 109 15:18:02 -731.439643 0.002032 BFGS: 110 15:18:02 -731.439649 0.001967 BFGS: 111 15:18:02 -731.439655 0.002485 BFGS: 112 15:18:03 -731.439661 0.002923 BFGS: 113 15:18:03 -731.439666 0.002563 BFGS: 114 15:18:03 -731.439671 0.001604 BFGS: 115 15:18:04 -731.439676 0.001719 BFGS: 116 15:18:04 -731.439682 0.002153 BFGS: 117 15:18:04 -731.439689 0.001947 BFGS: 118 15:18:04 -731.439694 0.001834 BFGS: 119 15:18:05 -731.439697 0.001337 BFGS: 120 15:18:05 -731.439699 0.001040 BFGS: 121 15:18:05 -731.439701 0.000928 BFGS: 122 15:18:06 -731.439702 0.000946 BFGS: 123 15:18:06 -731.439703 0.000828 BFGS: 124 15:18:06 -731.439704 0.000900 BFGS: 125 15:18:06 -731.439705 0.000756 BFGS: 126 15:18:07 -731.439705 0.000556 BFGS: 127 15:18:07 -731.439706 0.000407 BFGS: 128 15:18:07 -731.439706 0.000351 BFGS: 129 15:18:08 -731.439706 0.000288 BFGS: 130 15:18:08 -731.439706 0.000303 BFGS: 131 15:18:08 -731.439706 0.000297 BFGS: 132 15:18:08 -731.439706 0.000292 BFGS: 133 15:18:09 -731.439706 0.000210 BFGS: 134 15:18:09 -731.439707 0.000126 BFGS: 135 15:18:09 -731.439707 0.000086 BFGS: 136 15:18:09 -731.439707 0.000080 BFGS: 137 15:18:10 -731.439707 0.000095 BFGS: 138 15:18:10 -731.439707 0.000076 BFGS: 139 15:18:10 -731.439707 0.000052 BFGS: 140 15:18:11 -731.439707 0.000031 BFGS: 141 15:18:11 -731.439707 0.000015 BFGS: 142 15:18:11 -731.439707 0.000015 BFGS: 143 15:18:11 -731.439707 0.000015 BFGS: 144 15:18:12 -731.439707 0.000015 BFGS: 145 15:18:12 -731.439707 0.000015 BFGS: 146 15:18:12 -731.439707 0.000015 BFGS: 147 15:18:13 -731.439707 0.000015 BFGS: 148 15:18:13 -731.439707 0.000015 BFGS: 149 15:18:13 -731.439707 0.000014 BFGS: 150 15:18:13 -731.439707 0.000014 BFGS: 151 15:18:14 -731.439707 0.000014 BFGS: 152 15:18:14 -731.439707 0.000014 BFGS: 153 15:18:14 -731.439707 0.000014 BFGS: 154 15:18:15 -731.439707 0.000014 BFGS: 155 15:18:15 -731.439707 0.000013 BFGS: 156 15:18:15 -731.439707 0.000013 BFGS: 157 15:18:16 -731.439707 0.000012 BFGS: 158 15:18:16 -731.439707 0.000014 BFGS: 159 15:18:16 -731.439707 0.000017 BFGS: 160 15:18:16 -731.439707 0.000019 BFGS: 161 15:18:17 -731.439707 0.000017 BFGS: 162 15:18:17 -731.439707 0.000013 BFGS: 163 15:18:17 -731.439707 0.000008 BFGS: 164 15:18:17 -731.439707 0.000005 BFGS: 165 15:18:18 -731.439707 0.000006 BFGS: 166 15:18:18 -731.439707 0.000006 BFGS: 167 15:18:18 -731.439707 0.000005 BFGS: 168 15:18:19 -731.439707 0.000003 BFGS: 169 15:18:19 -731.439707 0.000002 BFGS: 170 15:18:19 -731.439707 0.000001 BFGS: 171 15:18:19 -731.439707 0.000001 BFGS: 172 15:18:20 -731.439707 0.000001 BFGS: 173 15:18:20 -731.439707 0.000001 BFGS: 174 15:18:20 -731.439707 0.000001 BFGS: 175 15:18:20 -731.439707 0.000000 BFGS: 176 15:18:21 -731.439707 0.000000 BFGS: 177 15:18:21 -731.439707 0.000000 BFGS: 178 15:18:21 -731.439707 0.000000 BFGS: 179 15:18:21 -731.439707 0.000000 BFGS: 180 15:18:22 -731.439707 0.000000 BFGS: 181 15:18:22 -731.439707 0.000000 BFGS: 182 15:18:22 -731.439707 0.000000 BFGS: 183 15:18:22 -731.439707 0.000000 BFGS: 184 15:18:23 -731.439707 0.000000 BFGS: 185 15:18:23 -731.439707 0.000000 BFGS: 186 15:18:23 -731.439707 0.000000 BFGS: 187 15:18:23 -731.439707 0.000000 BFGS: 188 15:18:24 -731.439707 0.000000 BFGS: 189 15:18:24 -731.439707 0.000000 BFGS: 190 15:18:24 -731.439707 0.000000 BFGS: 191 15:18:24 -731.439707 0.000000 BFGS: 192 15:18:25 -731.439707 0.000000 BFGS: 193 15:18:25 -731.439707 0.000000 BFGS: 194 15:18:25 -731.439707 0.000000 BFGS: 195 15:18:25 -731.439707 0.000000 BFGS: 196 15:18:26 -731.439707 0.000000 BFGS: 197 15:18:27 -731.439707 0.000000 BFGS: 198 15:18:27 -731.439707 0.000000 BFGS: 199 15:18:28 -731.439707 0.000000 BFGS: 200 15:18:28 -731.439707 0.000000 BFGS: 201 15:18:29 -731.439707 0.000000 BFGS: 202 15:18:29 -731.439707 0.000000 BFGS: 203 15:18:29 -731.439707 0.000000 BFGS: 204 15:18:30 -731.439707 0.000000 BFGS: 205 15:18:30 -731.439707 0.000000 BFGS: 206 15:18:30 -731.439707 0.000000 BFGS: 207 15:18:31 -731.439707 0.000000 BFGS: 208 15:18:31 -731.439707 0.000000 BFGS: 209 15:18:31 -731.439707 0.000000 BFGS: 210 15:18:31 -731.439707 0.000000 BFGS: 211 15:18:32 -731.439707 0.000000 BFGS: 212 15:18:32 -731.439707 0.000000 BFGS: 213 15:18:32 -731.439707 0.000000 BFGS: 214 15:18:33 -731.439707 0.000000 BFGS: 215 15:18:33 -731.439707 0.000000 BFGS: 216 15:18:33 -731.439707 0.000000 BFGS: 217 15:18:33 -731.439707 0.000000 BFGS: 218 15:18:34 -731.439707 0.000000 BFGS: 219 15:18:34 -731.439707 0.000000 BFGS: 220 15:18:34 -731.439707 0.000000 BFGS: 221 15:18:34 -731.439707 0.000000 BFGS: 222 15:18:35 -731.439707 0.000000 BFGS: 223 15:18:35 -731.439707 0.000000 BFGS: 224 15:18:35 -731.439707 0.000000 BFGS: 225 15:18:35 -731.439707 0.000000 Minimization converged after 225 steps. Maximum force component: 9.142528628079112e-09 eV/Angstrom Maximum stress component: 1.193168215532549e-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 = [[2.40611798e-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 3.00515044e-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 9.35025053e-01 6.71857740e-01] [8.51411461e-01 9.35025053e-01 8.28142260e-01] [6.48588539e-01 4.35025053e-01 6.71857740e-01] [3.51411461e-01 4.35025053e-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 5.64974947e-01 3.28142260e-01] [6.48588539e-01 5.64974947e-01 1.71857740e-01] [9.17083852e-02 9.58458828e-01 4.94438024e-01] [9.08291615e-01 9.58458828e-01 5.56197628e-03] [5.91708385e-01 4.58458828e-01 4.94438024e-01] [4.08291615e-01 4.58458828e-01 5.56197628e-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] [7.72742786e-01 1.33185068e-01 6.42207641e-01] [2.27257214e-01 1.33185068e-01 8.57792359e-01] [2.72742786e-01 6.33185068e-01 6.42207641e-01] [7.27257214e-01 6.33185068e-01 8.57792359e-01] [2.27257214e-01 8.66814932e-01 3.57792359e-01] [7.72742786e-01 8.66814932e-01 1.42207641e-01] [7.27257214e-01 3.66814932e-01 3.57792359e-01] [2.72742786e-01 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2.02726325e-09 4.31378977e-09 -3.72678078e-09] [-2.02726325e-09 4.31378977e-09 3.72678078e-09] [ 2.02726325e-09 4.31378977e-09 -3.72678078e-09] [-3.13482866e-09 -1.70716604e-09 9.14252863e-09] [ 3.13482866e-09 -1.70716604e-09 -9.14252863e-09] [-3.13482866e-09 -1.70716604e-09 9.14252863e-09] [ 3.13482866e-09 -1.70716604e-09 -9.14252863e-09] [ 3.13482866e-09 1.70716604e-09 -9.14252863e-09] [-3.13482866e-09 1.70716604e-09 9.14252863e-09] [ 3.13482866e-09 1.70716604e-09 -9.14252863e-09] [-3.13482866e-09 1.70716604e-09 9.14252863e-09] [-1.55235619e-10 1.29095102e-10 -7.34417750e-09] [ 1.55235619e-10 1.29095102e-10 7.34417750e-09] [-1.55235619e-10 1.29095102e-10 -7.34417750e-09] [ 1.55235619e-10 1.29095102e-10 7.34417750e-09] [ 1.55235619e-10 -1.29095102e-10 7.34417750e-09] [-1.55235619e-10 -1.29095102e-10 -7.34417750e-09] [ 1.55235619e-10 -1.29095102e-10 7.34417750e-09] [-1.55235619e-10 -1.29095102e-10 -7.34417750e-09] [ 2.06158556e-09 3.42470482e-09 6.84064404e-09] [-2.06158556e-09 3.42470482e-09 -6.84064404e-09] [ 2.06158556e-09 3.42470482e-09 6.84064404e-09] [-2.06158556e-09 3.42470482e-09 -6.84064404e-09] [-2.06158556e-09 -3.42470482e-09 -6.84064404e-09] [ 2.06158556e-09 -3.42470482e-09 6.84064404e-09] [-2.06158556e-09 -3.42470482e-09 -6.84064404e-09] [ 2.06158556e-09 -3.42470482e-09 6.84064404e-09] [ 2.37698462e-10 6.46332922e-10 2.79007661e-09] [-2.37698462e-10 6.46332922e-10 -2.79007661e-09] [ 2.37698462e-10 6.46332922e-10 2.79007661e-09] [-2.37698462e-10 6.46332922e-10 -2.79007661e-09] [-2.37698462e-10 -6.46332922e-10 -2.79007661e-09] [ 2.37698462e-10 -6.46332922e-10 2.79007661e-09] [-2.37698462e-10 -6.46332922e-10 -2.79007661e-09] [ 2.37698462e-10 -6.46332922e-10 2.79007661e-09] [ 1.82230415e-09 -1.31765301e-11 -1.04813206e-09] [-1.82230415e-09 -1.31765301e-11 1.04813206e-09] [ 1.82230415e-09 -1.31765301e-11 -1.04813206e-09] [-1.82230415e-09 -1.31765301e-11 1.04813206e-09] [-1.82230415e-09 1.31765301e-11 1.04813206e-09] [ 1.82230415e-09 1.31765301e-11 -1.04813206e-09] [-1.82230415e-09 1.31765301e-11 1.04813206e-09] [ 1.82230415e-09 1.31765301e-11 -1.04813206e-09] [-6.38076274e-09 2.22805657e-09 1.34131042e-09] [ 6.38076274e-09 2.22805657e-09 -1.34131042e-09] [-6.38076274e-09 2.22805657e-09 1.34131042e-09] [ 6.38076274e-09 2.22805657e-09 -1.34131042e-09] [ 6.38076274e-09 -2.22805657e-09 -1.34131042e-09] [-6.38076274e-09 -2.22805657e-09 1.34131042e-09] [ 6.38076274e-09 -2.22805657e-09 -1.34131042e-09] [-6.38076274e-09 -2.22805657e-09 1.34131042e-09] [-1.41129660e-09 3.68940857e-09 -1.07415616e-10] [ 1.41129660e-09 3.68940857e-09 1.07415616e-10] [-1.41129660e-09 3.68940857e-09 -1.07415616e-10] [ 1.41129660e-09 3.68940857e-09 1.07415616e-10] [ 1.41129660e-09 -3.68940857e-09 1.07415616e-10] [-1.41129660e-09 -3.68940857e-09 -1.07415616e-10] [ 1.41129660e-09 -3.68940857e-09 1.07415616e-10] [-1.41129660e-09 -3.68940857e-09 -1.07415616e-10] [ 1.99868455e-09 7.08627530e-10 -1.28104444e-09] [-1.99868455e-09 7.08627530e-10 1.28104444e-09] [ 1.99868455e-09 7.08627530e-10 -1.28104444e-09] [-1.99868455e-09 7.08627530e-10 1.28104444e-09] [-1.99868455e-09 -7.08627530e-10 1.28104444e-09] [ 1.99868455e-09 -7.08627530e-10 -1.28104444e-09] [-1.99868455e-09 -7.08627530e-10 1.28104444e-09] [ 1.99868455e-09 -7.08627530e-10 -1.28104444e-09]] stress = [ 4.61316104e-12 -1.52630901e-12 -4.44804827e-12 1.59133887e-32 1.19316822e-11 6.97401816e-33] energy per atom = -4.459998210848467 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0