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: Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004 ==== 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 16:11:00 -735.474430 0.6043 BFGS: 1 16:11:00 -735.622809 0.4490 BFGS: 2 16:11:01 -735.772101 0.2169 BFGS: 3 16:11:01 -735.796309 0.2346 BFGS: 4 16:11:02 -735.876525 0.2154 BFGS: 5 16:11:02 -735.901446 0.1912 BFGS: 6 16:11:02 -735.921562 0.1859 BFGS: 7 16:11:03 -735.934144 0.1854 BFGS: 8 16:11:03 -735.945121 0.1876 BFGS: 9 16:11:03 -735.952439 0.1897 BFGS: 10 16:11:04 -735.959742 0.1901 BFGS: 11 16:11:04 -735.969065 0.1872 BFGS: 12 16:11:04 -735.981951 0.1793 BFGS: 13 16:11:05 -735.996683 0.1674 BFGS: 14 16:11:05 -736.011284 0.1555 BFGS: 15 16:11:05 -736.025620 0.1445 BFGS: 16 16:11:05 -736.039081 0.1350 BFGS: 17 16:11:06 -736.051195 0.1270 BFGS: 18 16:11:06 -736.061791 0.1201 BFGS: 19 16:11:06 -736.071166 0.1140 BFGS: 20 16:11:06 -736.080270 0.1081 BFGS: 21 16:11:06 -736.089592 0.1022 BFGS: 22 16:11:07 -736.100150 0.0941 BFGS: 23 16:11:07 -736.108944 0.0853 BFGS: 24 16:11:07 -736.116175 0.0762 BFGS: 25 16:11:07 -736.122581 0.0675 BFGS: 26 16:11:08 -736.129359 0.0669 BFGS: 27 16:11:08 -736.136312 0.0620 BFGS: 28 16:11:08 -736.143297 0.0611 BFGS: 29 16:11:09 -736.149223 0.0557 BFGS: 30 16:11:09 -736.153080 0.0470 BFGS: 31 16:11:09 -736.156437 0.0474 BFGS: 32 16:11:10 -736.159125 0.0410 BFGS: 33 16:11:10 -736.161543 0.0353 BFGS: 34 16:11:10 -736.163459 0.0348 BFGS: 35 16:11:10 -736.164989 0.0379 BFGS: 36 16:11:11 -736.166180 0.0397 BFGS: 37 16:11:11 -736.167056 0.0398 BFGS: 38 16:11:11 -736.167666 0.0390 BFGS: 39 16:11:12 -736.168166 0.0380 BFGS: 40 16:11:12 -736.168686 0.0372 BFGS: 41 16:11:12 -736.169241 0.0372 BFGS: 42 16:11:13 -736.169765 0.0378 BFGS: 43 16:11:13 -736.170216 0.0387 BFGS: 44 16:11:13 -736.170618 0.0393 BFGS: 45 16:11:13 -736.171009 0.0393 BFGS: 46 16:11:13 -736.171401 0.0387 BFGS: 47 16:11:14 -736.171811 0.0375 BFGS: 48 16:11:14 -736.172273 0.0362 BFGS: 49 16:11:14 -736.172806 0.0350 BFGS: 50 16:11:14 -736.173366 0.0344 BFGS: 51 16:11:15 -736.173888 0.0342 BFGS: 52 16:11:15 -736.174369 0.0342 BFGS: 53 16:11:15 -736.174874 0.0338 BFGS: 54 16:11:15 -736.175466 0.0328 BFGS: 55 16:11:15 -736.176155 0.0309 BFGS: 56 16:11:16 -736.176900 0.0282 BFGS: 57 16:11:16 -736.177658 0.0256 BFGS: 58 16:11:16 -736.178416 0.0234 BFGS: 59 16:11:16 -736.179179 0.0236 BFGS: 60 16:11:16 -736.179959 0.0260 BFGS: 61 16:11:17 -736.180767 0.0284 BFGS: 62 16:11:17 -736.181603 0.0264 BFGS: 63 16:11:17 -736.182460 0.0235 BFGS: 64 16:11:17 -736.183348 0.0248 BFGS: 65 16:11:18 -736.184266 0.0280 BFGS: 66 16:11:18 -736.185132 0.0273 BFGS: 67 16:11:18 -736.185821 0.0202 BFGS: 68 16:11:19 -736.186297 0.0163 BFGS: 69 16:11:19 -736.186638 0.0134 BFGS: 70 16:11:19 -736.186905 0.0158 BFGS: 71 16:11:19 -736.187090 0.0110 BFGS: 72 16:11:20 -736.187190 0.0070 BFGS: 73 16:11:20 -736.187240 0.0057 BFGS: 74 16:11:21 -736.187277 0.0061 BFGS: 75 16:11:21 -736.187311 0.0055 BFGS: 76 16:11:21 -736.187340 0.0040 BFGS: 77 16:11:21 -736.187362 0.0029 BFGS: 78 16:11:22 -736.187377 0.0030 BFGS: 79 16:11:22 -736.187387 0.0028 BFGS: 80 16:11:22 -736.187394 0.0025 BFGS: 81 16:11:22 -736.187401 0.0024 BFGS: 82 16:11:23 -736.187407 0.0020 BFGS: 83 16:11:23 -736.187413 0.0018 BFGS: 84 16:11:23 -736.187416 0.0018 BFGS: 85 16:11:24 -736.187419 0.0018 BFGS: 86 16:11:24 -736.187421 0.0018 BFGS: 87 16:11:24 -736.187423 0.0018 BFGS: 88 16:11:24 -736.187425 0.0018 BFGS: 89 16:11:25 -736.187427 0.0018 BFGS: 90 16:11:25 -736.187429 0.0018 BFGS: 91 16:11:25 -736.187431 0.0018 BFGS: 92 16:11:26 -736.187431 0.0017 BFGS: 93 16:11:26 -736.187432 0.0017 BFGS: 94 16:11:26 -736.187433 0.0016 BFGS: 95 16:11:27 -736.187434 0.0016 BFGS: 96 16:11:27 -736.187435 0.0016 BFGS: 97 16:11:27 -736.187436 0.0016 BFGS: 98 16:11:27 -736.187437 0.0016 BFGS: 99 16:11:28 -736.187438 0.0016 BFGS: 100 16:11:28 -736.187439 0.0015 BFGS: 101 16:11:28 -736.187440 0.0014 BFGS: 102 16:11:29 -736.187442 0.0013 BFGS: 103 16:11:29 -736.187444 0.0017 BFGS: 104 16:11:29 -736.187447 0.0019 BFGS: 105 16:11:30 -736.187451 0.0015 BFGS: 106 16:11:30 -736.187455 0.0015 BFGS: 107 16:11:30 -736.187459 0.0013 BFGS: 108 16:11:30 -736.187462 0.0017 BFGS: 109 16:11:30 -736.187464 0.0016 BFGS: 110 16:11:30 -736.187467 0.0012 BFGS: 111 16:11:30 -736.187469 0.0012 BFGS: 112 16:11:30 -736.187471 0.0015 BFGS: 113 16:11:31 -736.187473 0.0016 BFGS: 114 16:11:31 -736.187475 0.0015 BFGS: 115 16:11:31 -736.187476 0.0012 BFGS: 116 16:11:32 -736.187477 0.0007 BFGS: 117 16:11:32 -736.187478 0.0005 BFGS: 118 16:11:32 -736.187478 0.0004 BFGS: 119 16:11:32 -736.187478 0.0004 BFGS: 120 16:11:33 -736.187478 0.0004 BFGS: 121 16:11:33 -736.187478 0.0004 BFGS: 122 16:11:33 -736.187478 0.0003 BFGS: 123 16:11:33 -736.187478 0.0002 BFGS: 124 16:11:34 -736.187479 0.0002 BFGS: 125 16:11:34 -736.187479 0.0003 BFGS: 126 16:11:34 -736.187479 0.0002 BFGS: 127 16:11:34 -736.187479 0.0002 BFGS: 128 16:11:35 -736.187479 0.0001 BFGS: 129 16:11:35 -736.187479 0.0001 BFGS: 130 16:11:35 -736.187479 0.0001 BFGS: 131 16:11:35 -736.187479 0.0001 BFGS: 132 16:11:36 -736.187479 0.0001 BFGS: 133 16:11:36 -736.187479 0.0001 BFGS: 134 16:11:36 -736.187479 0.0001 BFGS: 135 16:11:36 -736.187479 0.0001 BFGS: 136 16:11:37 -736.187479 0.0001 BFGS: 137 16:11:37 -736.187479 0.0001 BFGS: 138 16:11:37 -736.187479 0.0001 BFGS: 139 16:11:38 -736.187479 0.0001 BFGS: 140 16:11:38 -736.187479 0.0001 BFGS: 141 16:11:38 -736.187479 0.0001 BFGS: 142 16:11:39 -736.187479 0.0001 BFGS: 143 16:11:39 -736.187479 0.0001 BFGS: 144 16:11:39 -736.187479 0.0001 BFGS: 145 16:11:39 -736.187479 0.0001 BFGS: 146 16:11:40 -736.187479 0.0001 BFGS: 147 16:11:40 -736.187479 0.0001 BFGS: 148 16:11:40 -736.187479 0.0001 BFGS: 149 16:11:41 -736.187479 0.0001 BFGS: 150 16:11:41 -736.187479 0.0001 BFGS: 151 16:11:41 -736.187479 0.0001 BFGS: 152 16:11:42 -736.187479 0.0001 BFGS: 153 16:11:42 -736.187479 0.0001 BFGS: 154 16:11:43 -736.187479 0.0001 BFGS: 155 16:11:43 -736.187479 0.0001 BFGS: 156 16:11:43 -736.187479 0.0000 BFGS: 157 16:11:43 -736.187479 0.0000 BFGS: 158 16:11:44 -736.187479 0.0000 BFGS: 159 16:11:44 -736.187479 0.0000 BFGS: 160 16:11:45 -736.187479 0.0000 BFGS: 161 16:11:45 -736.187479 0.0000 BFGS: 162 16:11:45 -736.187479 0.0000 BFGS: 163 16:11:45 -736.187479 0.0000 BFGS: 164 16:11:45 -736.187479 0.0000 BFGS: 165 16:11:46 -736.187479 0.0000 BFGS: 166 16:11:46 -736.187479 0.0000 BFGS: 167 16:11:46 -736.187479 0.0000 BFGS: 168 16:11:46 -736.187479 0.0000 BFGS: 169 16:11:47 -736.187479 0.0000 BFGS: 170 16:11:47 -736.187479 0.0000 BFGS: 171 16:11:47 -736.187479 0.0000 BFGS: 172 16:11:48 -736.187479 0.0000 BFGS: 173 16:11:48 -736.187479 0.0000 BFGS: 174 16:11:48 -736.187479 0.0000 BFGS: 175 16:11:49 -736.187479 0.0000 BFGS: 176 16:11:49 -736.187479 0.0000 BFGS: 177 16:11:49 -736.187479 0.0000 BFGS: 178 16:11:49 -736.187479 0.0000 BFGS: 179 16:11:49 -736.187479 0.0000 BFGS: 180 16:11:50 -736.187479 0.0000 BFGS: 181 16:11:50 -736.187479 0.0000 BFGS: 182 16:11:50 -736.187479 0.0000 BFGS: 183 16:11:51 -736.187479 0.0000 BFGS: 184 16:11:51 -736.187479 0.0000 BFGS: 185 16:11:51 -736.187479 0.0000 BFGS: 186 16:11:51 -736.187479 0.0000 BFGS: 187 16:11:52 -736.187479 0.0000 BFGS: 188 16:11:52 -736.187479 0.0000 BFGS: 189 16:11:52 -736.187479 0.0000 BFGS: 190 16:11:52 -736.187479 0.0000 BFGS: 191 16:11:53 -736.187479 0.0000 BFGS: 192 16:11:53 -736.187479 0.0000 BFGS: 193 16:11:53 -736.187479 0.0000 BFGS: 194 16:11:53 -736.187479 0.0000 BFGS: 195 16:11:54 -736.187479 0.0000 BFGS: 196 16:11:54 -736.187479 0.0000 BFGS: 197 16:11:54 -736.187479 0.0000 BFGS: 198 16:11:55 -736.187479 0.0000 BFGS: 199 16:11:55 -736.187479 0.0000 BFGS: 200 16:11:56 -736.187479 0.0000 BFGS: 201 16:11:56 -736.187479 0.0000 BFGS: 202 16:11:57 -736.187479 0.0000 BFGS: 203 16:11:57 -736.187479 0.0000 BFGS: 204 16:11:57 -736.187479 0.0000 BFGS: 205 16:11:58 -736.187479 0.0000 BFGS: 206 16:11:58 -736.187479 0.0000 BFGS: 207 16:11:58 -736.187479 0.0000 BFGS: 208 16:11:59 -736.187479 0.0000 BFGS: 209 16:11:59 -736.187479 0.0000 BFGS: 210 16:11:59 -736.187479 0.0000 BFGS: 211 16:11:59 -736.187479 0.0000 BFGS: 212 16:11:59 -736.187479 0.0000 BFGS: 213 16:12:00 -736.187479 0.0000 BFGS: 214 16:12:00 -736.187479 0.0000 BFGS: 215 16:12:00 -736.187479 0.0000 Minimization converged after 215 steps. Maximum force component: 9.157707805615424e-09 eV/Angstrom Maximum stress component: 2.751047593776476e-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 = [[1.20284121e-17 4.98174911e-01 2.50000000e-01] [5.00000000e-01 9.98174911e-01 2.50000000e-01] [1.00000000e+00 5.01825089e-01 7.50000000e-01] [5.00000000e-01 1.82508906e-03 7.50000000e-01] [3.10414778e-01 9.63225575e-01 6.01099621e-01] [6.89585222e-01 9.63225575e-01 8.98900379e-01] [8.10414778e-01 4.63225575e-01 6.01099621e-01] [1.89585222e-01 4.63225575e-01 8.98900379e-01] [6.89585222e-01 3.67744249e-02 3.98900379e-01] [3.10414778e-01 3.67744249e-02 1.01099621e-01] [1.89585222e-01 5.36774425e-01 3.98900379e-01] [8.10414778e-01 5.36774425e-01 1.01099621e-01] [1.46054699e-01 6.55306227e-02 8.00876208e-01] [8.53945301e-01 6.55306227e-02 6.99123792e-01] [6.46054699e-01 5.65530623e-01 8.00876208e-01] [3.53945301e-01 5.65530623e-01 6.99123792e-01] [8.53945301e-01 9.34469377e-01 1.99123792e-01] [1.46054699e-01 9.34469377e-01 3.00876208e-01] [3.53945301e-01 4.34469377e-01 1.99123792e-01] [6.46054699e-01 4.34469377e-01 3.00876208e-01] [1.47538256e-01 9.33022853e-01 6.75081942e-01] [8.52461744e-01 9.33022853e-01 8.24918058e-01] [6.47538256e-01 4.33022853e-01 6.75081942e-01] [3.52461744e-01 4.33022853e-01 8.24918058e-01] [8.52461744e-01 6.69771468e-02 3.24918058e-01] [1.47538256e-01 6.69771468e-02 1.75081942e-01] [3.52461744e-01 5.66977147e-01 3.24918058e-01] [6.47538256e-01 5.66977147e-01 1.75081942e-01] [9.06369303e-02 9.58933838e-01 4.97453997e-01] [9.09363070e-01 9.58933838e-01 2.54600273e-03] [5.90636930e-01 4.58933838e-01 4.97453997e-01] [4.09363070e-01 4.58933838e-01 2.54600273e-03] [9.09363070e-01 4.10661624e-02 5.02546003e-01] [9.06369303e-02 4.10661624e-02 9.97453997e-01] [4.09363070e-01 5.41066162e-01 5.02546003e-01] [5.90636930e-01 5.41066162e-01 9.97453997e-01] [6.07130645e-01 3.16290212e-01 8.04164651e-01] [3.92869355e-01 3.16290212e-01 6.95835349e-01] [1.07130645e-01 8.16290212e-01 8.04164651e-01] [8.92869355e-01 8.16290212e-01 6.95835349e-01] [3.92869355e-01 6.83709788e-01 1.95835349e-01] [6.07130645e-01 6.83709788e-01 3.04164651e-01] [8.92869355e-01 1.83709788e-01 1.95835349e-01] [1.07130645e-01 1.83709788e-01 3.04164651e-01] [5.40338525e-01 2.47214363e-01 6.82643349e-01] [4.59661475e-01 2.47214363e-01 8.17356651e-01] [4.03385249e-02 7.47214363e-01 6.82643349e-01] [9.59661475e-01 7.47214363e-01 8.17356651e-01] [4.59661475e-01 7.52785637e-01 3.17356651e-01] [5.40338525e-01 7.52785637e-01 1.82643349e-01] [9.59661475e-01 2.52785637e-01 3.17356651e-01] [4.03385249e-02 2.52785637e-01 1.82643349e-01] [7.74602806e-01 1.29036315e-01 6.37099773e-01] [2.25397194e-01 1.29036315e-01 8.62900227e-01] [2.74602806e-01 6.29036315e-01 6.37099773e-01] [7.25397194e-01 6.29036315e-01 8.62900227e-01] [2.25397194e-01 8.70963685e-01 3.62900227e-01] [7.74602806e-01 8.70963685e-01 1.37099773e-01] [7.25397194e-01 3.70963685e-01 3.62900227e-01] [2.74602806e-01 3.70963685e-01 1.37099773e-01] [2.54698730e-01 7.65685134e-01 7.52529792e-01] [7.45301270e-01 7.65685134e-01 7.47470208e-01] [7.54698730e-01 2.65685134e-01 7.52529792e-01] [2.45301270e-01 2.65685134e-01 7.47470208e-01] [7.45301270e-01 2.34314866e-01 2.47470208e-01] [2.54698730e-01 2.34314866e-01 2.52529792e-01] [2.45301270e-01 7.34314866e-01 2.47470208e-01] [7.54698730e-01 7.34314866e-01 2.52529792e-01] [6.74757487e-01 2.26364762e-01 8.84049043e-01] [3.25242513e-01 2.26364762e-01 6.15950957e-01] [1.74757487e-01 7.26364762e-01 8.84049043e-01] [8.25242513e-01 7.26364762e-01 6.15950957e-01] [3.25242513e-01 7.73635238e-01 1.15950957e-01] [6.74757487e-01 7.73635238e-01 3.84049043e-01] [8.25242513e-01 2.73635238e-01 1.15950957e-01] [1.74757487e-01 2.73635238e-01 3.84049043e-01] [6.95141605e-01 9.32610736e-02 7.67532678e-01] [3.04858395e-01 9.32610736e-02 7.32467322e-01] [1.95141605e-01 5.93261074e-01 7.67532678e-01] [8.04858395e-01 5.93261074e-01 7.32467322e-01] [3.04858395e-01 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-4.06591633e-09 -3.25560874e-09] [ 7.20004831e-09 -4.06591633e-09 3.25560874e-09] [-7.20004831e-09 -4.06591633e-09 -3.25560874e-09] [-7.20004831e-09 4.06591633e-09 -3.25560874e-09] [ 7.20004831e-09 4.06591633e-09 3.25560874e-09] [-7.20004831e-09 4.06591633e-09 -3.25560874e-09] [ 7.20004831e-09 4.06591633e-09 3.25560874e-09] [ 6.54068119e-09 -1.32869981e-09 -9.04363427e-10] [-6.54068119e-09 -1.32869981e-09 9.04363427e-10] [ 6.54068119e-09 -1.32869981e-09 -9.04363427e-10] [-6.54068119e-09 -1.32869981e-09 9.04363427e-10] [-6.54068119e-09 1.32869981e-09 9.04363427e-10] [ 6.54068119e-09 1.32869981e-09 -9.04363427e-10] [-6.54068119e-09 1.32869981e-09 9.04363427e-10] [ 6.54068119e-09 1.32869981e-09 -9.04363427e-10] [ 1.98101157e-11 -9.15770781e-09 -1.12296680e-10] [-1.98101157e-11 -9.15770781e-09 1.12296680e-10] [ 1.98101157e-11 -9.15770781e-09 -1.12296680e-10] [-1.98101157e-11 -9.15770781e-09 1.12296680e-10] [-1.98101157e-11 9.15770781e-09 1.12296680e-10] [ 1.98101157e-11 9.15770781e-09 -1.12296680e-10] [-1.98101157e-11 9.15770781e-09 1.12296680e-10] [ 1.98101157e-11 9.15770781e-09 -1.12296680e-10] [-5.21377301e-10 -6.10848579e-10 -2.56763289e-09] [ 5.21377301e-10 -6.10848579e-10 2.56763289e-09] [-5.21377301e-10 -6.10848579e-10 -2.56763289e-09] [ 5.21377301e-10 -6.10848579e-10 2.56763289e-09] [ 5.21377301e-10 6.10848579e-10 2.56763289e-09] [-5.21377301e-10 6.10848579e-10 -2.56763289e-09] [ 5.21377301e-10 6.10848579e-10 2.56763289e-09] [-5.21377301e-10 6.10848579e-10 -2.56763289e-09] [ 2.10209309e-09 6.19964471e-09 -3.68790645e-09] [-2.10209309e-09 6.19964471e-09 3.68790645e-09] [ 2.10209309e-09 6.19964471e-09 -3.68790645e-09] [-2.10209309e-09 6.19964471e-09 3.68790645e-09] [-2.10209309e-09 -6.19964471e-09 3.68790645e-09] [ 2.10209309e-09 -6.19964471e-09 -3.68790645e-09] [-2.10209309e-09 -6.19964471e-09 3.68790645e-09] [ 2.10209309e-09 -6.19964471e-09 -3.68790645e-09] [ 8.71843740e-09 4.04216811e-09 1.82347116e-09] [-8.71843740e-09 4.04216811e-09 -1.82347116e-09] [ 8.71843740e-09 4.04216811e-09 1.82347116e-09] [-8.71843740e-09 4.04216811e-09 -1.82347116e-09] [-8.71843740e-09 -4.04216811e-09 -1.82347116e-09] [ 8.71843740e-09 -4.04216811e-09 1.82347116e-09] [-8.71843740e-09 -4.04216811e-09 -1.82347116e-09] [ 8.71843740e-09 -4.04216811e-09 1.82347116e-09]] stress = [ 2.75104759e-11 -1.76983677e-12 8.94161047e-12 2.07054872e-32 8.15245933e-12 7.15527063e-32] energy per atom = -4.48894804174481 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0