element(s): ['O', 'Si'] AFLOW prototype label: A2B_oF216_69_himn3p_f2mp Parameter names: ['a', 'b/a', 'c/a', 'y2', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['17.7678', '0.77069193', '1.0163498', '0.30258737', '0.14901072', '0.81312348', '0.11580757', '0.30035649', '0.91112624', '0.39011746', '0.68350519', '0.84874492', '0.31836228', '0.80138639', '0.31809018', '0.80381751', '0.92508985', '0.37370542', '0.73399681', '0.92491515', '0.35608132', '0.88131546', '0.87530517', '0.38693959', '0.80936779'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.30258737 0. ] [0. 0. 0.14901072] [0. 0.81312348 0.11580757] [0.84874492 0. 0.31836228] [0.80138639 0.81809018 0.30381751] [0.92508985 0.37370542 0.73399681] [0.92491515 0.35608132 0.88131546] [0.25 0.25 0.25 ] [0. 0.30035649 0.91112624] [0. 0.39011746 0.68350519] [0.87530517 0.38693959 0.80936779]] spacegroup = 69 cell = [[17.7678, 0, 0], [0, 13.6935, 0], [0, 0, 18.0583]] ========================================= Step Time Energy fmax BFGS: 0 13:00:06 -334.226953 0.8939 BFGS: 1 13:00:07 -334.461366 0.7604 BFGS: 2 13:00:08 -334.973108 0.2539 BFGS: 3 13:00:09 -335.069393 0.3112 BFGS: 4 13:00:11 -335.168595 0.3290 BFGS: 5 13:00:12 -335.334207 0.2325 BFGS: 6 13:00:13 -335.431109 0.1760 BFGS: 7 13:00:15 -335.474820 0.1400 BFGS: 8 13:00:17 -335.498958 0.1339 BFGS: 9 13:00:18 -335.524610 0.1385 BFGS: 10 13:00:18 -335.548270 0.1401 BFGS: 11 13:00:20 -335.566389 0.1391 BFGS: 12 13:00:21 -335.584298 0.1606 BFGS: 13 13:00:22 -335.607466 0.1535 BFGS: 14 13:00:23 -335.633220 0.1338 BFGS: 15 13:00:24 -335.653576 0.1369 BFGS: 16 13:00:25 -335.666894 0.1415 BFGS: 17 13:00:26 -335.677103 0.1459 BFGS: 18 13:00:27 -335.686729 0.1492 BFGS: 19 13:00:29 -335.694515 0.1503 BFGS: 20 13:00:30 -335.699541 0.1494 BFGS: 21 13:00:31 -335.703730 0.1477 BFGS: 22 13:00:32 -335.708976 0.1457 BFGS: 23 13:00:34 -335.715716 0.1439 BFGS: 24 13:00:35 -335.723184 0.1431 BFGS: 25 13:00:36 -335.731326 0.1432 BFGS: 26 13:00:38 -335.741033 0.1434 BFGS: 27 13:00:40 -335.751263 0.1430 BFGS: 28 13:00:42 -335.761901 0.1422 BFGS: 29 13:00:43 -335.772680 0.1410 BFGS: 30 13:00:44 -335.783374 0.1395 BFGS: 31 13:00:45 -335.793854 0.1378 BFGS: 32 13:00:46 -335.804041 0.1360 BFGS: 33 13:00:48 -335.813880 0.1340 BFGS: 34 13:00:49 -335.823362 0.1320 BFGS: 35 13:00:51 -335.832503 0.1300 BFGS: 36 13:00:53 -335.841322 0.1281 BFGS: 37 13:00:55 -335.849741 0.1262 BFGS: 38 13:00:56 -335.857884 0.1242 BFGS: 39 13:00:57 -335.865801 0.1223 BFGS: 40 13:00:59 -335.873517 0.1203 BFGS: 41 13:01:01 -335.881050 0.1183 BFGS: 42 13:01:03 -335.888415 0.1163 BFGS: 43 13:01:04 -335.895623 0.1143 BFGS: 44 13:01:05 -335.902687 0.1122 BFGS: 45 13:01:06 -335.909648 0.1101 BFGS: 46 13:01:07 -335.916485 0.1080 BFGS: 47 13:01:08 -335.923196 0.1058 BFGS: 48 13:01:10 -335.929788 0.1037 BFGS: 49 13:01:11 -335.936264 0.1015 BFGS: 50 13:01:12 -335.942632 0.0994 BFGS: 51 13:01:13 -335.948898 0.0972 BFGS: 52 13:01:14 -335.955071 0.0950 BFGS: 53 13:01:15 -335.961152 0.0928 BFGS: 54 13:01:16 -335.967142 0.0905 BFGS: 55 13:01:17 -335.973042 0.0883 BFGS: 56 13:01:18 -335.978854 0.0861 BFGS: 57 13:01:19 -335.984578 0.0838 BFGS: 58 13:01:20 -335.990216 0.0816 BFGS: 59 13:01:21 -335.995769 0.0814 BFGS: 60 13:01:21 -336.001236 0.0815 BFGS: 61 13:01:22 -336.006621 0.0815 BFGS: 62 13:01:24 -336.011924 0.0814 BFGS: 63 13:01:26 -336.017150 0.0813 BFGS: 64 13:01:28 -336.022302 0.0812 BFGS: 65 13:01:29 -336.027389 0.0810 BFGS: 66 13:01:31 -336.032421 0.0807 BFGS: 67 13:01:32 -336.037413 0.0803 BFGS: 68 13:01:34 -336.042383 0.0798 BFGS: 69 13:01:36 -336.047365 0.0792 BFGS: 70 13:01:38 -336.052416 0.0785 BFGS: 71 13:01:40 -336.057584 0.0776 BFGS: 72 13:01:41 -336.062940 0.0765 BFGS: 73 13:01:43 -336.068578 0.0752 BFGS: 74 13:01:45 -336.074632 0.0736 BFGS: 75 13:01:47 -336.081293 0.0716 BFGS: 76 13:01:49 -336.088850 0.0691 BFGS: 77 13:01:51 -336.097768 0.0658 BFGS: 78 13:01:52 -336.108927 0.0613 BFGS: 79 13:01:53 -336.120053 0.0572 BFGS: 80 13:01:55 -336.132077 0.0609 BFGS: 81 13:01:56 -336.142569 0.0613 BFGS: 82 13:01:57 -336.149438 0.0576 BFGS: 83 13:01:59 -336.153028 0.0554 BFGS: 84 13:02:01 -336.156025 0.0538 BFGS: 85 13:02:02 -336.158793 0.0526 BFGS: 86 13:02:03 -336.161442 0.0519 BFGS: 87 13:02:05 -336.164017 0.0513 BFGS: 88 13:02:06 -336.166544 0.0506 BFGS: 89 13:02:07 -336.169034 0.0499 BFGS: 90 13:02:08 -336.171497 0.0491 BFGS: 91 13:02:09 -336.173939 0.0483 BFGS: 92 13:02:10 -336.176363 0.0474 BFGS: 93 13:02:11 -336.178773 0.0464 BFGS: 94 13:02:11 -336.181171 0.0454 BFGS: 95 13:02:12 -336.183557 0.0443 BFGS: 96 13:02:13 -336.185932 0.0432 BFGS: 97 13:02:14 -336.188297 0.0419 BFGS: 98 13:02:15 -336.190654 0.0405 BFGS: 99 13:02:17 -336.193008 0.0390 BFGS: 100 13:02:18 -336.195378 0.0371 BFGS: 101 13:02:19 -336.197820 0.0348 BFGS: 102 13:02:19 -336.199850 0.0325 BFGS: 103 13:02:20 -336.201594 0.0316 BFGS: 104 13:02:22 -336.203287 0.0315 BFGS: 105 13:02:24 -336.204702 0.0317 BFGS: 106 13:02:26 -336.206033 0.0321 BFGS: 107 13:02:27 -336.207363 0.0326 BFGS: 108 13:02:29 -336.208795 0.0330 BFGS: 109 13:02:31 -336.210515 0.0332 BFGS: 110 13:02:33 -336.213049 0.0331 BFGS: 111 13:02:36 -336.216059 0.0344 BFGS: 112 13:02:39 -336.218809 0.0359 BFGS: 113 13:02:40 -336.220636 0.0356 BFGS: 114 13:02:40 -336.222165 0.0348 BFGS: 115 13:02:41 -336.223502 0.0336 BFGS: 116 13:02:42 -336.224679 0.0322 BFGS: 117 13:02:43 -336.225713 0.0305 BFGS: 118 13:02:44 -336.226617 0.0285 BFGS: 119 13:02:46 -336.227404 0.0263 BFGS: 120 13:02:47 -336.228091 0.0236 BFGS: 121 13:02:48 -336.228712 0.0203 BFGS: 122 13:02:49 -336.229330 0.0179 BFGS: 123 13:02:50 -336.229996 0.0164 BFGS: 124 13:02:51 -336.230725 0.0155 BFGS: 125 13:02:52 -336.231442 0.0156 BFGS: 126 13:02:53 -336.231709 0.0164 BFGS: 127 13:02:54 -336.231801 0.0170 BFGS: 128 13:02:56 -336.231847 0.0172 BFGS: 129 13:02:56 -336.231946 0.0173 BFGS: 130 13:02:58 -336.232036 0.0170 BFGS: 131 13:02:59 -336.232096 0.0164 BFGS: 132 13:03:00 -336.232123 0.0160 BFGS: 133 13:03:01 -336.232151 0.0157 BFGS: 134 13:03:02 -336.232211 0.0153 BFGS: 135 13:03:03 -336.232331 0.0149 BFGS: 136 13:03:05 -336.232538 0.0146 BFGS: 137 13:03:06 -336.232815 0.0147 BFGS: 138 13:03:07 -336.233128 0.0150 BFGS: 139 13:03:08 -336.233516 0.0155 BFGS: 140 13:03:09 -336.234134 0.0157 BFGS: 141 13:03:10 -336.235036 0.0183 BFGS: 142 13:03:10 -336.235807 0.0200 BFGS: 143 13:03:11 -336.236546 0.0210 BFGS: 144 13:03:12 -336.237267 0.0215 BFGS: 145 13:03:14 -336.237973 0.0217 BFGS: 146 13:03:14 -336.238664 0.0216 BFGS: 147 13:03:16 -336.239343 0.0213 BFGS: 148 13:03:17 -336.240007 0.0208 BFGS: 149 13:03:17 -336.240657 0.0217 BFGS: 150 13:03:18 -336.241291 0.0222 BFGS: 151 13:03:20 -336.241907 0.0224 BFGS: 152 13:03:21 -336.242503 0.0224 BFGS: 153 13:03:22 -336.243074 0.0220 BFGS: 154 13:03:23 -336.243619 0.0214 BFGS: 155 13:03:24 -336.244133 0.0204 BFGS: 156 13:03:25 -336.244610 0.0192 BFGS: 157 13:03:26 -336.245046 0.0177 BFGS: 158 13:03:27 -336.245434 0.0158 BFGS: 159 13:03:29 -336.245768 0.0135 BFGS: 160 13:03:30 -336.246038 0.0108 BFGS: 161 13:03:32 -336.246230 0.0071 BFGS: 162 13:03:34 -336.246312 0.0040 BFGS: 163 13:03:35 -336.246352 0.0026 BFGS: 164 13:03:37 -336.246407 0.0023 BFGS: 165 13:03:38 -336.246420 0.0016 BFGS: 166 13:03:38 -336.246425 0.0010 BFGS: 167 13:03:39 -336.246428 0.0006 BFGS: 168 13:03:39 -336.246430 0.0005 BFGS: 169 13:03:41 -336.246431 0.0003 BFGS: 170 13:03:42 -336.246431 0.0002 BFGS: 171 13:03:43 -336.246431 0.0002 BFGS: 172 13:03:44 -336.246431 0.0002 BFGS: 173 13:03:45 -336.246431 0.0002 BFGS: 174 13:03:45 -336.246431 0.0002 BFGS: 175 13:03:46 -336.246431 0.0002 BFGS: 176 13:03:47 -336.246431 0.0002 BFGS: 177 13:03:47 -336.246431 0.0002 BFGS: 178 13:03:48 -336.246431 0.0002 BFGS: 179 13:03:48 -336.246431 0.0002 BFGS: 180 13:03:49 -336.246432 0.0003 BFGS: 181 13:03:50 -336.246432 0.0004 BFGS: 182 13:03:51 -336.246432 0.0005 BFGS: 183 13:03:51 -336.246432 0.0005 BFGS: 184 13:03:52 -336.246433 0.0003 BFGS: 185 13:03:53 -336.246433 0.0001 BFGS: 186 13:03:53 -336.246433 0.0001 BFGS: 187 13:03:54 -336.246433 0.0001 BFGS: 188 13:03:54 -336.246433 0.0001 BFGS: 189 13:03:55 -336.246433 0.0000 BFGS: 190 13:03:55 -336.246433 0.0000 BFGS: 191 13:03:56 -336.246433 0.0000 BFGS: 192 13:03:57 -336.246433 0.0000 BFGS: 193 13:03:57 -336.246433 0.0000 BFGS: 194 13:03:58 -336.246433 0.0000 BFGS: 195 13:03:58 -336.246433 0.0000 BFGS: 196 13:03:59 -336.246433 0.0000 BFGS: 197 13:03:59 -336.246433 0.0000 BFGS: 198 13:03:59 -336.246433 0.0000 BFGS: 199 13:04:00 -336.246433 0.0000 BFGS: 200 13:04:00 -336.246433 0.0000 Minimization converged after 200 steps. Maximum force component: 8.44150265996973e-09 eV/Angstrom Maximum stress component: 6.233329941263664e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', '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 = [[2.44971201e-35 3.22767623e-01 0.00000000e+00] [0.00000000e+00 6.77232377e-01 0.00000000e+00] [4.59014392e-35 8.22767623e-01 5.00000000e-01] [0.00000000e+00 1.77232377e-01 5.00000000e-01] [5.00000000e-01 3.22767623e-01 5.00000000e-01] [5.00000000e-01 6.77232377e-01 5.00000000e-01] [5.00000000e-01 8.22767623e-01 0.00000000e+00] [5.00000000e-01 1.77232377e-01 0.00000000e+00] [2.28693344e-37 0.00000000e+00 1.52042557e-01] [3.87970581e-37 0.00000000e+00 8.47957443e-01] [2.82883462e-37 5.00000000e-01 6.52042557e-01] [0.00000000e+00 5.00000000e-01 3.47957443e-01] [5.00000000e-01 0.00000000e+00 6.52042557e-01] [5.00000000e-01 2.06107985e-36 3.47957443e-01] [5.00000000e-01 5.00000000e-01 1.52042557e-01] [5.00000000e-01 5.00000000e-01 8.47957443e-01] [6.87024435e-38 8.09920011e-01 1.10203265e-01] [0.00000000e+00 1.90079989e-01 1.10203265e-01] [2.01766879e-37 8.09920011e-01 8.89796735e-01] [1.59881992e-36 1.90079989e-01 8.89796735e-01] [0.00000000e+00 3.09920011e-01 6.10203265e-01] [1.49602614e-38 6.90079989e-01 6.10203265e-01] [1.67093257e-36 3.09920011e-01 3.89796735e-01] [1.19234491e-36 6.90079989e-01 3.89796735e-01] [5.00000000e-01 8.09920011e-01 6.10203265e-01] [5.00000000e-01 1.90079989e-01 6.10203265e-01] [5.00000000e-01 8.09920011e-01 3.89796735e-01] [5.00000000e-01 1.90079989e-01 3.89796735e-01] [5.00000000e-01 3.09920011e-01 1.10203265e-01] [5.00000000e-01 6.90079989e-01 1.10203265e-01] [5.00000000e-01 3.09920011e-01 8.89796735e-01] [5.00000000e-01 6.90079989e-01 8.89796735e-01] [8.52552208e-01 9.60647982e-37 3.07060691e-01] [1.47447792e-01 6.96495514e-37 3.07060691e-01] [1.47447792e-01 0.00000000e+00 6.92939309e-01] [8.52552208e-01 1.56866569e-37 6.92939309e-01] [8.52552208e-01 5.00000000e-01 8.07060691e-01] [1.47447792e-01 5.00000000e-01 8.07060691e-01] [1.47447792e-01 5.00000000e-01 1.92939309e-01] [8.52552208e-01 5.00000000e-01 1.92939309e-01] [3.52552208e-01 1.22083806e-36 8.07060691e-01] [6.47447792e-01 0.00000000e+00 8.07060691e-01] [6.47447792e-01 0.00000000e+00 1.92939309e-01] [3.52552208e-01 7.23285808e-37 1.92939309e-01] [3.52552208e-01 5.00000000e-01 3.07060691e-01] [6.47447792e-01 5.00000000e-01 3.07060691e-01] [6.47447792e-01 5.00000000e-01 6.92939309e-01] [3.52552208e-01 5.00000000e-01 6.92939309e-01] [8.02614289e-01 8.18228403e-01 3.01741663e-01] [1.97385711e-01 1.81771597e-01 3.01741663e-01] [1.97385711e-01 8.18228403e-01 6.98258337e-01] [8.02614289e-01 1.81771597e-01 6.98258337e-01] [8.02614289e-01 3.18228403e-01 8.01741663e-01] [1.97385711e-01 6.81771597e-01 8.01741663e-01] [1.97385711e-01 3.18228403e-01 1.98258337e-01] [8.02614289e-01 6.81771597e-01 1.98258337e-01] [3.02614289e-01 8.18228403e-01 8.01741663e-01] [6.97385711e-01 1.81771597e-01 8.01741663e-01] [6.97385711e-01 8.18228403e-01 1.98258337e-01] [3.02614289e-01 1.81771597e-01 1.98258337e-01] [3.02614289e-01 3.18228403e-01 3.01741663e-01] [6.97385711e-01 6.81771597e-01 3.01741663e-01] [6.97385711e-01 3.18228403e-01 6.98258337e-01] [3.02614289e-01 6.81771597e-01 6.98258337e-01] [1.97385711e-01 1.81771597e-01 6.98258337e-01] [8.02614289e-01 8.18228403e-01 6.98258337e-01] [8.02614289e-01 1.81771597e-01 3.01741663e-01] [1.97385711e-01 8.18228403e-01 3.01741663e-01] [1.97385711e-01 6.81771597e-01 1.98258337e-01] [8.02614289e-01 3.18228403e-01 1.98258337e-01] [8.02614289e-01 6.81771597e-01 8.01741663e-01] [1.97385711e-01 3.18228403e-01 8.01741663e-01] [6.97385711e-01 1.81771597e-01 1.98258337e-01] [3.02614289e-01 8.18228403e-01 1.98258337e-01] [3.02614289e-01 1.81771597e-01 8.01741663e-01] [6.97385711e-01 8.18228403e-01 8.01741663e-01] [6.97385711e-01 6.81771597e-01 6.98258337e-01] [3.02614289e-01 3.18228403e-01 6.98258337e-01] [3.02614289e-01 6.81771597e-01 3.01741663e-01] [6.97385711e-01 3.18228403e-01 3.01741663e-01] [9.25950074e-01 3.66360025e-01 7.29217308e-01] [7.40499260e-02 6.33639975e-01 7.29217308e-01] [7.40499260e-02 3.66360025e-01 2.70782692e-01] [9.25950074e-01 6.33639975e-01 2.70782692e-01] [9.25950074e-01 8.66360025e-01 2.29217308e-01] [7.40499260e-02 1.33639975e-01 2.29217308e-01] [7.40499260e-02 8.66360025e-01 7.70782692e-01] [9.25950074e-01 1.33639975e-01 7.70782692e-01] [4.25950074e-01 3.66360025e-01 2.29217308e-01] [5.74049926e-01 6.33639975e-01 2.29217308e-01] [5.74049926e-01 3.66360025e-01 7.70782692e-01] [4.25950074e-01 6.33639975e-01 7.70782692e-01] [4.25950074e-01 8.66360025e-01 7.29217308e-01] [5.74049926e-01 1.33639975e-01 7.29217308e-01] [5.74049926e-01 8.66360025e-01 2.70782692e-01] [4.25950074e-01 1.33639975e-01 2.70782692e-01] [7.40499260e-02 6.33639975e-01 2.70782692e-01] [9.25950074e-01 3.66360025e-01 2.70782692e-01] 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0.00000000e+00] [ 3.39525086e-33 3.67656636e-09 0.00000000e+00] [-8.48812715e-33 -3.67656636e-09 0.00000000e+00] [ 5.09287629e-33 3.67656636e-09 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 6.72619386e-09] [ 0.00000000e+00 0.00000000e+00 -6.72619386e-09] [ 0.00000000e+00 0.00000000e+00 6.72619386e-09] [ 0.00000000e+00 0.00000000e+00 -6.72619386e-09] [ 0.00000000e+00 0.00000000e+00 6.72619386e-09] [ 0.00000000e+00 0.00000000e+00 -6.72619386e-09] [ 0.00000000e+00 0.00000000e+00 6.72619386e-09] [ 4.24406357e-34 8.55379069e-72 -6.72619386e-09] [-9.75505505e-47 -8.44150266e-09 2.38492863e-09] [ 9.75505505e-47 8.44150266e-09 2.38492863e-09] [-9.75505505e-47 -8.44150266e-09 -2.38492863e-09] [ 9.75505505e-47 8.44150266e-09 -2.38492863e-09] [ 3.39525086e-33 -8.44150266e-09 2.38492863e-09] [ 9.75505505e-47 8.44150266e-09 2.38492863e-09] [-9.75505505e-47 -8.44150266e-09 -2.38492863e-09] [ 9.75505505e-47 8.44150266e-09 -2.38492863e-09] [ 3.39525086e-33 -8.44150266e-09 2.38492863e-09] [ 9.75505505e-47 8.44150266e-09 2.38492863e-09] [-9.75505505e-47 -8.44150266e-09 -2.38492863e-09] [-1.69762543e-33 8.44150266e-09 -2.38492863e-09] [-9.75505505e-47 -8.44150266e-09 2.38492863e-09] [ 9.75505505e-47 8.44150266e-09 2.38492863e-09] [-9.75505505e-47 -8.44150266e-09 -2.38492863e-09] [-1.69762543e-33 8.44150266e-09 -2.38492863e-09] [ 2.96109751e-09 5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 -5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 -5.96800870e-47 2.43200485e-09] [ 2.96109751e-09 5.96800870e-47 2.43200485e-09] [ 2.96109751e-09 5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 -5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 -5.96800870e-47 2.43200485e-09] [ 2.96109751e-09 5.96800870e-47 2.43200485e-09] [ 2.96109751e-09 5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 -5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 -5.96800870e-47 2.43200485e-09] [ 2.96109751e-09 5.96800870e-47 2.43200485e-09] [ 2.96109751e-09 5.96800870e-47 -2.43200485e-09] [-2.96109751e-09 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1.04935466e-09] [ 2.17943618e-09 -1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 -1.02835546e-09 1.04935466e-09] [ 2.17943618e-09 1.02835546e-09 1.04935466e-09] [ 2.17943618e-09 -1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 -1.02835546e-09 1.04935466e-09] [ 2.17943618e-09 1.02835546e-09 1.04935466e-09] [ 2.17943618e-09 -1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 -1.02835546e-09 1.04935466e-09] [ 2.17943618e-09 1.02835546e-09 1.04935466e-09] [ 2.17943618e-09 -1.02835546e-09 -1.04935466e-09] [-2.17943618e-09 1.02835546e-09 -1.04935466e-09] [-1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 -4.47679354e-10 1.40928087e-10] [-1.23662209e-10 4.47679354e-10 1.40928087e-10] [-1.23662209e-10 -4.47679354e-10 -1.40928087e-10] [ 1.23662209e-10 4.47679354e-10 -1.40928087e-10] [ 1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 1.35562647e-09] [-1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 -9.98951837e-10 1.35562647e-09] [ 1.32910452e-09 9.98951837e-10 -1.35562647e-09] [-1.32910452e-09 -9.98951837e-10 -1.35562647e-09] [ 2.17296055e-31 4.37954083e-69 -1.31183697e-30] [-1.91318598e-69 -1.65556877e-31 6.55918487e-31] [ 6.51888165e-31 -6.62227509e-31 -8.74557982e-31] [ 1.84701647e-30 -1.40723346e-30 1.09319748e-30] [ 6.51888165e-31 -9.93341263e-31 -4.37278991e-31] [ 8.69184220e-31 -2.31779628e-30 1.09319748e-30] [-2.17296055e-31 -9.93341263e-31 8.74557982e-31] [ 2.17296055e-31 -6.62227509e-31 6.55918487e-31] [-6.03690958e-47 -5.22401852e-09 3.82303175e-09] [ 6.03690958e-47 5.22401852e-09 3.82303175e-09] [-6.03690958e-47 -5.22401852e-09 -3.82303175e-09] [-5.43240137e-32 5.22401852e-09 -3.82303175e-09] [-6.03690958e-47 -5.22401852e-09 3.82303175e-09] [ 6.03690958e-47 5.22401852e-09 3.82303175e-09] [-6.03690958e-47 -5.22401852e-09 -3.82303175e-09] [ 5.43240137e-32 5.22401852e-09 -3.82303175e-09] [-1.35810034e-32 -5.22401852e-09 3.82303175e-09] [ 6.03690958e-47 5.22401852e-09 3.82303175e-09] [-6.03690958e-47 -5.22401852e-09 -3.82303175e-09] [ 3.39525086e-32 5.22401852e-09 -3.82303175e-09] [-1.35810034e-32 -5.22401852e-09 3.82303175e-09] [ 6.03690958e-47 5.22401852e-09 3.82303175e-09] [-6.03690958e-47 -5.22401852e-09 -3.82303175e-09] [-4.07430103e-32 5.22401852e-09 -3.82303175e-09] [ 1.56695506e-47 1.35595906e-09 -1.86128452e-09] [-1.56695506e-47 -1.35595906e-09 -1.86128452e-09] [ 1.56695506e-47 1.35595906e-09 1.86128452e-09] [-1.08648027e-31 -1.35595906e-09 1.86128452e-09] [ 1.56695506e-47 1.35595906e-09 -1.86128452e-09] [-1.56695506e-47 -1.35595906e-09 -1.86128452e-09] [ 1.56695506e-47 1.35595906e-09 1.86128452e-09] [-1.56695506e-47 -1.35595906e-09 1.86128452e-09] [ 1.56695506e-47 1.35595906e-09 -1.86128452e-09] [-1.08648027e-31 -1.35595906e-09 -1.86128452e-09] [-1.08648027e-31 1.35595906e-09 1.86128452e-09] [-1.08648027e-31 -1.35595906e-09 1.86128452e-09] [ 1.56695506e-47 1.35595906e-09 -1.86128452e-09] [-1.08648027e-31 -1.35595906e-09 -1.86128452e-09] [-5.43240137e-32 1.35595906e-09 1.86128452e-09] [-1.08648027e-31 -1.35595906e-09 1.86128452e-09] [-5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 6.09335907e-10 3.58363641e-11] [-5.15581417e-09 -6.09335907e-10 3.58363641e-11] [-5.15581417e-09 6.09335907e-10 -3.58363641e-11] [ 5.15581417e-09 -6.09335907e-10 -3.58363641e-11]] stress = [ 3.83371750e-11 6.23332994e-11 5.60868483e-11 0.00000000e+00 0.00000000e+00 -2.48877083e-50] energy per atom = -1.5566964488991017 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0