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 08:18:50 -334.226953 0.8939 BFGS: 1 08:18:50 -334.461366 0.7604 BFGS: 2 08:18:50 -334.973108 0.2539 BFGS: 3 08:18:50 -335.069393 0.3112 BFGS: 4 08:18:50 -335.168595 0.3290 BFGS: 5 08:18:50 -335.334207 0.2325 BFGS: 6 08:18:50 -335.431109 0.1760 BFGS: 7 08:18:51 -335.474820 0.1400 BFGS: 8 08:18:51 -335.498958 0.1339 BFGS: 9 08:18:51 -335.524610 0.1385 BFGS: 10 08:18:51 -335.548270 0.1401 BFGS: 11 08:18:51 -335.566389 0.1391 BFGS: 12 08:18:51 -335.584298 0.1606 BFGS: 13 08:18:51 -335.607466 0.1535 BFGS: 14 08:18:51 -335.633220 0.1338 BFGS: 15 08:18:51 -335.653576 0.1369 BFGS: 16 08:18:51 -335.666894 0.1415 BFGS: 17 08:18:51 -335.677103 0.1459 BFGS: 18 08:18:51 -335.686729 0.1492 BFGS: 19 08:18:51 -335.694515 0.1503 BFGS: 20 08:18:52 -335.699541 0.1494 BFGS: 21 08:18:52 -335.703730 0.1477 BFGS: 22 08:18:52 -335.708976 0.1457 BFGS: 23 08:18:52 -335.715716 0.1439 BFGS: 24 08:18:52 -335.723184 0.1431 BFGS: 25 08:18:52 -335.731326 0.1432 BFGS: 26 08:18:52 -335.741033 0.1434 BFGS: 27 08:18:52 -335.751263 0.1430 BFGS: 28 08:18:52 -335.761901 0.1422 BFGS: 29 08:18:52 -335.772680 0.1410 BFGS: 30 08:18:52 -335.783374 0.1395 BFGS: 31 08:18:52 -335.793854 0.1378 BFGS: 32 08:18:52 -335.804041 0.1360 BFGS: 33 08:18:53 -335.813880 0.1340 BFGS: 34 08:18:53 -335.823362 0.1320 BFGS: 35 08:18:53 -335.832503 0.1300 BFGS: 36 08:18:53 -335.841322 0.1281 BFGS: 37 08:18:53 -335.849741 0.1262 BFGS: 38 08:18:53 -335.857884 0.1242 BFGS: 39 08:18:53 -335.865801 0.1223 BFGS: 40 08:18:53 -335.873517 0.1203 BFGS: 41 08:18:53 -335.881050 0.1183 BFGS: 42 08:18:53 -335.888415 0.1163 BFGS: 43 08:18:54 -335.895623 0.1143 BFGS: 44 08:18:54 -335.902687 0.1122 BFGS: 45 08:18:54 -335.909648 0.1101 BFGS: 46 08:18:54 -335.916485 0.1080 BFGS: 47 08:18:54 -335.923196 0.1058 BFGS: 48 08:18:54 -335.929788 0.1037 BFGS: 49 08:18:54 -335.936264 0.1015 BFGS: 50 08:18:54 -335.942632 0.0994 BFGS: 51 08:18:54 -335.948898 0.0972 BFGS: 52 08:18:54 -335.955071 0.0950 BFGS: 53 08:18:55 -335.961152 0.0928 BFGS: 54 08:18:55 -335.967142 0.0905 BFGS: 55 08:18:55 -335.973042 0.0883 BFGS: 56 08:18:55 -335.978854 0.0861 BFGS: 57 08:18:55 -335.984578 0.0838 BFGS: 58 08:18:55 -335.990216 0.0816 BFGS: 59 08:18:55 -335.995769 0.0814 BFGS: 60 08:18:55 -336.001236 0.0815 BFGS: 61 08:18:55 -336.006621 0.0815 BFGS: 62 08:18:55 -336.011924 0.0814 BFGS: 63 08:18:56 -336.017150 0.0813 BFGS: 64 08:18:56 -336.022302 0.0812 BFGS: 65 08:18:56 -336.027389 0.0810 BFGS: 66 08:18:56 -336.032421 0.0807 BFGS: 67 08:18:56 -336.037413 0.0803 BFGS: 68 08:18:56 -336.042383 0.0798 BFGS: 69 08:18:56 -336.047365 0.0792 BFGS: 70 08:18:56 -336.052416 0.0785 BFGS: 71 08:18:56 -336.057584 0.0776 BFGS: 72 08:18:56 -336.062940 0.0765 BFGS: 73 08:18:57 -336.068578 0.0752 BFGS: 74 08:18:57 -336.074632 0.0736 BFGS: 75 08:18:57 -336.081293 0.0716 BFGS: 76 08:18:57 -336.088850 0.0691 BFGS: 77 08:18:57 -336.097768 0.0658 BFGS: 78 08:18:57 -336.108927 0.0613 BFGS: 79 08:18:57 -336.120053 0.0572 BFGS: 80 08:18:57 -336.132077 0.0609 BFGS: 81 08:18:57 -336.142569 0.0613 BFGS: 82 08:18:58 -336.149438 0.0576 BFGS: 83 08:18:58 -336.153028 0.0554 BFGS: 84 08:18:58 -336.156025 0.0538 BFGS: 85 08:18:58 -336.158793 0.0526 BFGS: 86 08:18:58 -336.161442 0.0519 BFGS: 87 08:18:58 -336.164017 0.0513 BFGS: 88 08:18:58 -336.166544 0.0506 BFGS: 89 08:18:58 -336.169034 0.0499 BFGS: 90 08:18:58 -336.171497 0.0491 BFGS: 91 08:18:58 -336.173939 0.0483 BFGS: 92 08:18:59 -336.176363 0.0474 BFGS: 93 08:18:59 -336.178773 0.0464 BFGS: 94 08:18:59 -336.181171 0.0454 BFGS: 95 08:18:59 -336.183557 0.0443 BFGS: 96 08:18:59 -336.185932 0.0432 BFGS: 97 08:18:59 -336.188297 0.0419 BFGS: 98 08:18:59 -336.190654 0.0405 BFGS: 99 08:18:59 -336.193008 0.0390 BFGS: 100 08:18:59 -336.195378 0.0371 BFGS: 101 08:18:59 -336.197820 0.0348 BFGS: 102 08:19:00 -336.199850 0.0325 BFGS: 103 08:19:00 -336.201594 0.0316 BFGS: 104 08:19:00 -336.203287 0.0315 BFGS: 105 08:19:00 -336.204702 0.0317 BFGS: 106 08:19:00 -336.206033 0.0321 BFGS: 107 08:19:00 -336.207363 0.0326 BFGS: 108 08:19:00 -336.208795 0.0330 BFGS: 109 08:19:00 -336.210515 0.0332 BFGS: 110 08:19:00 -336.213049 0.0331 BFGS: 111 08:19:01 -336.216059 0.0344 BFGS: 112 08:19:01 -336.218809 0.0359 BFGS: 113 08:19:01 -336.220636 0.0356 BFGS: 114 08:19:01 -336.222165 0.0348 BFGS: 115 08:19:01 -336.223502 0.0336 BFGS: 116 08:19:01 -336.224679 0.0322 BFGS: 117 08:19:01 -336.225713 0.0305 BFGS: 118 08:19:01 -336.226617 0.0285 BFGS: 119 08:19:01 -336.227404 0.0263 BFGS: 120 08:19:02 -336.228091 0.0236 BFGS: 121 08:19:02 -336.228712 0.0203 BFGS: 122 08:19:02 -336.229330 0.0179 BFGS: 123 08:19:02 -336.229996 0.0164 BFGS: 124 08:19:02 -336.230725 0.0155 BFGS: 125 08:19:02 -336.231442 0.0156 BFGS: 126 08:19:02 -336.231709 0.0164 BFGS: 127 08:19:02 -336.231801 0.0170 BFGS: 128 08:19:02 -336.231847 0.0172 BFGS: 129 08:19:02 -336.231946 0.0173 BFGS: 130 08:19:03 -336.232036 0.0170 BFGS: 131 08:19:03 -336.232096 0.0164 BFGS: 132 08:19:03 -336.232123 0.0160 BFGS: 133 08:19:03 -336.232151 0.0157 BFGS: 134 08:19:03 -336.232211 0.0153 BFGS: 135 08:19:03 -336.232331 0.0149 BFGS: 136 08:19:03 -336.232538 0.0146 BFGS: 137 08:19:03 -336.232815 0.0147 BFGS: 138 08:19:03 -336.233128 0.0150 BFGS: 139 08:19:03 -336.233516 0.0155 BFGS: 140 08:19:03 -336.234134 0.0157 BFGS: 141 08:19:04 -336.235036 0.0183 BFGS: 142 08:19:04 -336.235807 0.0200 BFGS: 143 08:19:04 -336.236546 0.0210 BFGS: 144 08:19:04 -336.237267 0.0215 BFGS: 145 08:19:04 -336.237973 0.0217 BFGS: 146 08:19:04 -336.238664 0.0216 BFGS: 147 08:19:04 -336.239343 0.0213 BFGS: 148 08:19:04 -336.240007 0.0208 BFGS: 149 08:19:04 -336.240657 0.0217 BFGS: 150 08:19:04 -336.241291 0.0222 BFGS: 151 08:19:05 -336.241907 0.0224 BFGS: 152 08:19:05 -336.242503 0.0224 BFGS: 153 08:19:05 -336.243074 0.0220 BFGS: 154 08:19:05 -336.243619 0.0214 BFGS: 155 08:19:05 -336.244133 0.0204 BFGS: 156 08:19:05 -336.244610 0.0192 BFGS: 157 08:19:05 -336.245046 0.0177 BFGS: 158 08:19:05 -336.245434 0.0158 BFGS: 159 08:19:05 -336.245768 0.0135 BFGS: 160 08:19:05 -336.246038 0.0108 BFGS: 161 08:19:05 -336.246230 0.0071 BFGS: 162 08:19:06 -336.246312 0.0040 BFGS: 163 08:19:06 -336.246352 0.0026 BFGS: 164 08:19:06 -336.246407 0.0023 BFGS: 165 08:19:06 -336.246420 0.0016 BFGS: 166 08:19:06 -336.246425 0.0010 BFGS: 167 08:19:06 -336.246428 0.0006 BFGS: 168 08:19:06 -336.246430 0.0005 BFGS: 169 08:19:06 -336.246431 0.0003 BFGS: 170 08:19:06 -336.246431 0.0002 BFGS: 171 08:19:06 -336.246431 0.0002 BFGS: 172 08:19:06 -336.246431 0.0002 BFGS: 173 08:19:07 -336.246431 0.0002 BFGS: 174 08:19:07 -336.246431 0.0002 BFGS: 175 08:19:07 -336.246431 0.0002 BFGS: 176 08:19:07 -336.246431 0.0002 BFGS: 177 08:19:07 -336.246431 0.0002 BFGS: 178 08:19:07 -336.246431 0.0002 BFGS: 179 08:19:07 -336.246431 0.0002 BFGS: 180 08:19:07 -336.246432 0.0003 BFGS: 181 08:19:07 -336.246432 0.0004 BFGS: 182 08:19:07 -336.246432 0.0005 BFGS: 183 08:19:07 -336.246432 0.0005 BFGS: 184 08:19:08 -336.246433 0.0003 BFGS: 185 08:19:08 -336.246433 0.0001 BFGS: 186 08:19:08 -336.246433 0.0001 BFGS: 187 08:19:08 -336.246433 0.0001 BFGS: 188 08:19:08 -336.246433 0.0001 BFGS: 189 08:19:08 -336.246433 0.0000 BFGS: 190 08:19:08 -336.246433 0.0000 BFGS: 191 08:19:08 -336.246433 0.0000 BFGS: 192 08:19:08 -336.246433 0.0000 BFGS: 193 08:19:08 -336.246433 0.0000 BFGS: 194 08:19:09 -336.246433 0.0000 BFGS: 195 08:19:09 -336.246433 0.0000 BFGS: 196 08:19:09 -336.246433 0.0000 BFGS: 197 08:19:09 -336.246433 0.0000 BFGS: 198 08:19:09 -336.246433 0.0000 BFGS: 199 08:19:09 -336.246433 0.0000 BFGS: 200 08:19:09 -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