element(s): ['Al', 'Mg'] AFLOW prototype label: A67B41_cP108_221_aeh2il_cfgm Parameter names: ['a', 'x3', 'x4', 'x5', 'x6', 'y7', 'y8', 'y9', 'z9', 'x10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.6683', '0.66789393', '0.6769566', '0.66911045', '0.16528577', '0.66515378', '0.83948894', '0.839681', '0.66969755', '0.8391166', '0.66583874'] model name: MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg'] representative atom coordinates = [[0. 0. 0. ] [0.66789393 0. 0. ] [0.16528577 0.5 0. ] [0. 0.66515378 0.66515378] [0. 0.83948894 0.83948894] [0.5 0.839681 0.66969755] [0. 0.5 0.5 ] [0.6769566 0.5 0.5 ] [0.66911045 0.66911045 0.66911045] [0.8391166 0.8391166 0.66583874]] spacegroup = 221 cell = [[12.6683, 0, 0], [0, 12.6683, 0], [0, 0, 12.6683]] ========================================= Step Time Energy fmax BFGS: 0 16:49:32 -287.452978 0.078488 BFGS: 1 16:49:33 -287.455100 0.073079 BFGS: 2 16:49:34 -287.472221 0.040253 BFGS: 3 16:49:36 -287.472475 0.040097 BFGS: 4 16:49:37 -287.474562 0.038333 BFGS: 5 16:49:39 -287.475264 0.037463 BFGS: 6 16:49:40 -287.475658 0.036874 BFGS: 7 16:49:42 -287.475938 0.036446 BFGS: 8 16:49:42 -287.476623 0.035248 BFGS: 9 16:49:43 -287.477737 0.032946 BFGS: 10 16:49:43 -287.479151 0.029450 BFGS: 11 16:49:45 -287.480113 0.026696 BFGS: 12 16:49:46 -287.480582 0.025494 BFGS: 13 16:49:48 -287.480974 0.024679 BFGS: 14 16:49:50 -287.481674 0.022971 BFGS: 15 16:49:52 -287.482731 0.027195 BFGS: 16 16:49:55 -287.483794 0.030349 BFGS: 17 16:49:57 -287.484425 0.024309 BFGS: 18 16:50:00 -287.484793 0.023413 BFGS: 19 16:50:03 -287.485227 0.019098 BFGS: 20 16:50:05 -287.485900 0.014280 BFGS: 21 16:50:08 -287.486587 0.012395 BFGS: 22 16:50:11 -287.486951 0.010973 BFGS: 23 16:50:14 -287.487068 0.009999 BFGS: 24 16:50:16 -287.487142 0.008998 BFGS: 25 16:50:19 -287.487263 0.006815 BFGS: 26 16:50:21 -287.487395 0.006553 BFGS: 27 16:50:24 -287.487474 0.004587 BFGS: 28 16:50:26 -287.487495 0.002799 BFGS: 29 16:50:29 -287.487502 0.002256 BFGS: 30 16:50:30 -287.487513 0.002109 BFGS: 31 16:50:31 -287.487525 0.001825 BFGS: 32 16:50:34 -287.487532 0.001107 BFGS: 33 16:50:38 -287.487534 0.000865 BFGS: 34 16:50:41 -287.487534 0.001051 BFGS: 35 16:50:44 -287.487534 0.001056 BFGS: 36 16:50:47 -287.487535 0.000831 BFGS: 37 16:50:50 -287.487535 0.000400 BFGS: 38 16:50:53 -287.487536 0.000120 BFGS: 39 16:50:56 -287.487536 0.000085 BFGS: 40 16:50:58 -287.487536 0.000087 BFGS: 41 16:50:59 -287.487536 0.000085 BFGS: 42 16:51:01 -287.487536 0.000071 BFGS: 43 16:51:04 -287.487536 0.000050 BFGS: 44 16:51:06 -287.487536 0.000026 BFGS: 45 16:51:07 -287.487536 0.000021 BFGS: 46 16:51:09 -287.487536 0.000019 BFGS: 47 16:51:11 -287.487536 0.000016 BFGS: 48 16:51:12 -287.487536 0.000012 BFGS: 49 16:51:14 -287.487536 0.000008 BFGS: 50 16:51:16 -287.487536 0.000003 BFGS: 51 16:51:17 -287.487536 0.000002 BFGS: 52 16:51:19 -287.487536 0.000002 BFGS: 53 16:51:21 -287.487536 0.000002 BFGS: 54 16:51:23 -287.487536 0.000002 BFGS: 55 16:51:25 -287.487536 0.000002 BFGS: 56 16:51:26 -287.487536 0.000002 BFGS: 57 16:51:28 -287.487536 0.000001 BFGS: 58 16:51:30 -287.487536 0.000001 BFGS: 59 16:51:32 -287.487536 0.000001 BFGS: 60 16:51:34 -287.487536 0.000001 BFGS: 61 16:51:36 -287.487536 0.000001 BFGS: 62 16:51:37 -287.487536 0.000001 BFGS: 63 16:51:39 -287.487536 0.000001 BFGS: 64 16:51:41 -287.487536 0.000001 BFGS: 65 16:51:43 -287.487536 0.000001 BFGS: 66 16:51:45 -287.487536 0.000001 BFGS: 67 16:51:47 -287.487536 0.000001 BFGS: 68 16:51:49 -287.487536 0.000001 BFGS: 69 16:51:51 -287.487536 0.000001 BFGS: 70 16:51:53 -287.487536 0.000001 BFGS: 71 16:51:55 -287.487536 0.000001 BFGS: 72 16:51:57 -287.487536 0.000001 BFGS: 73 16:51:58 -287.487536 0.000001 BFGS: 74 16:51:59 -287.487536 0.000001 BFGS: 75 16:52:00 -287.487536 0.000001 BFGS: 76 16:52:01 -287.487536 0.000001 BFGS: 77 16:52:03 -287.487536 0.000001 BFGS: 78 16:52:05 -287.487536 0.000001 BFGS: 79 16:52:07 -287.487536 0.000000 BFGS: 80 16:52:10 -287.487536 0.000000 BFGS: 81 16:52:13 -287.487536 0.000000 BFGS: 82 16:52:15 -287.487536 0.000000 BFGS: 83 16:52:16 -287.487536 0.000000 BFGS: 84 16:52:18 -287.487536 0.000000 BFGS: 85 16:52:20 -287.487536 0.000000 BFGS: 86 16:52:22 -287.487536 0.000000 BFGS: 87 16:52:22 -287.487536 0.000000 BFGS: 88 16:52:23 -287.487536 0.000000 BFGS: 89 16:52:23 -287.487536 0.000000 BFGS: 90 16:52:24 -287.487536 0.000000 BFGS: 91 16:52:25 -287.487536 0.000000 BFGS: 92 16:52:26 -287.487536 0.000000 BFGS: 93 16:52:26 -287.487536 0.000000 BFGS: 94 16:52:27 -287.487536 0.000000 BFGS: 95 16:52:27 -287.487536 0.000000 BFGS: 96 16:52:28 -287.487536 0.000000 BFGS: 97 16:52:29 -287.487536 0.000000 BFGS: 98 16:52:29 -287.487536 0.000000 BFGS: 99 16:52:30 -287.487536 0.000000 BFGS: 100 16:52:31 -287.487536 0.000000 BFGS: 101 16:52:31 -287.487536 0.000000 BFGS: 102 16:52:32 -287.487536 0.000000 BFGS: 103 16:52:32 -287.487536 0.000000 BFGS: 104 16:52:33 -287.487536 0.000000 BFGS: 105 16:52:34 -287.487536 0.000000 BFGS: 106 16:52:34 -287.487536 0.000000 BFGS: 107 16:52:35 -287.487536 0.000000 BFGS: 108 16:52:36 -287.487536 0.000000 BFGS: 109 16:52:36 -287.487536 0.000000 BFGS: 110 16:52:37 -287.487536 0.000000 BFGS: 111 16:52:38 -287.487536 0.000000 BFGS: 112 16:52:38 -287.487536 0.000000 BFGS: 113 16:52:39 -287.487536 0.000000 BFGS: 114 16:52:40 -287.487536 0.000000 BFGS: 115 16:52:40 -287.487536 0.000000 BFGS: 116 16:52:41 -287.487536 0.000000 BFGS: 117 16:52:42 -287.487536 0.000000 BFGS: 118 16:52:42 -287.487536 0.000000 BFGS: 119 16:52:43 -287.487536 0.000000 BFGS: 120 16:52:44 -287.487536 0.000000 BFGS: 121 16:52:44 -287.487536 0.000000 BFGS: 122 16:52:45 -287.487536 0.000000 BFGS: 123 16:52:46 -287.487536 0.000000 BFGS: 124 16:52:46 -287.487536 0.000000 BFGS: 125 16:52:47 -287.487536 0.000000 BFGS: 126 16:52:48 -287.487536 0.000000 BFGS: 127 16:52:48 -287.487536 0.000000 BFGS: 128 16:52:49 -287.487536 0.000000 BFGS: 129 16:52:50 -287.487536 0.000000 BFGS: 130 16:52:51 -287.487536 0.000000 BFGS: 131 16:52:51 -287.487536 0.000000 BFGS: 132 16:52:52 -287.487536 0.000000 BFGS: 133 16:52:52 -287.487536 0.000000 BFGS: 134 16:52:53 -287.487536 0.000000 BFGS: 135 16:52:54 -287.487536 0.000000 BFGS: 136 16:52:54 -287.487536 0.000000 BFGS: 137 16:52:55 -287.487536 0.000000 BFGS: 138 16:52:55 -287.487536 0.000000 BFGS: 139 16:52:56 -287.487536 0.000000 BFGS: 140 16:52:57 -287.487536 0.000000 BFGS: 141 16:52:57 -287.487536 0.000000 BFGS: 142 16:52:58 -287.487536 0.000000 BFGS: 143 16:52:58 -287.487536 0.000000 BFGS: 144 16:52:59 -287.487536 0.000000 BFGS: 145 16:53:00 -287.487536 0.000000 BFGS: 146 16:53:00 -287.487536 0.000000 BFGS: 147 16:53:01 -287.487536 0.000000 BFGS: 148 16:53:01 -287.487536 0.000000 BFGS: 149 16:53:02 -287.487536 0.000000 BFGS: 150 16:53:03 -287.487536 0.000000 BFGS: 151 16:53:03 -287.487536 0.000000 BFGS: 152 16:53:04 -287.487536 0.000000 BFGS: 153 16:53:05 -287.487536 0.000000 BFGS: 154 16:53:05 -287.487536 0.000000 BFGS: 155 16:53:06 -287.487536 0.000000 BFGS: 156 16:53:06 -287.487536 0.000000 BFGS: 157 16:53:07 -287.487536 0.000000 Minimization converged after 157 steps. Maximum force component: 6.856985593333331e-09 eV/Angstrom Maximum stress component: 6.073680656749553e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.69692664e-01 0.00000000e+00 0.00000000e+00] [3.30307336e-01 8.08305822e-36 0.00000000e+00] [0.00000000e+00 6.69692664e-01 1.51702908e-35] [0.00000000e+00 3.30307336e-01 7.20588815e-35] [0.00000000e+00 0.00000000e+00 6.69692664e-01] [1.62413837e-35 0.00000000e+00 3.30307336e-01] [1.65615789e-01 5.00000000e-01 1.36532618e-34] [8.34384211e-01 5.00000000e-01 8.34365997e-35] [0.00000000e+00 1.65615789e-01 5.00000000e-01] [6.67628165e-37 8.34384211e-01 5.00000000e-01] [5.00000000e-01 3.79257271e-36 1.65615789e-01] [5.00000000e-01 0.00000000e+00 8.34384211e-01] [5.00000000e-01 1.65615789e-01 1.32740045e-35] [5.00000000e-01 8.34384211e-01 9.10217451e-35] [1.65615789e-01 0.00000000e+00 5.00000000e-01] [8.34384211e-01 0.00000000e+00 5.00000000e-01] [0.00000000e+00 5.00000000e-01 8.34384211e-01] [0.00000000e+00 5.00000000e-01 1.65615789e-01] [7.02973639e-37 6.65242669e-01 6.65242669e-01] [0.00000000e+00 3.34757331e-01 6.65242669e-01] [0.00000000e+00 6.65242669e-01 3.34757331e-01] [0.00000000e+00 3.34757331e-01 3.34757331e-01] [6.65242669e-01 0.00000000e+00 6.65242669e-01] [6.65242669e-01 7.58514542e-36 3.34757331e-01] [3.34757331e-01 0.00000000e+00 6.65242669e-01] [3.34757331e-01 0.00000000e+00 3.34757331e-01] [6.65242669e-01 6.65242669e-01 1.06192036e-34] [3.34757331e-01 6.65242669e-01 9.10217451e-35] [6.65242669e-01 3.34757331e-01 7.58514542e-35] [3.34757331e-01 3.34757331e-01 6.82663088e-35] [0.00000000e+00 8.38815997e-01 8.38815997e-01] [0.00000000e+00 1.61184003e-01 8.38815997e-01] [4.59926945e-37 8.38815997e-01 1.61184003e-01] [0.00000000e+00 1.61184003e-01 1.61184003e-01] [8.38815997e-01 0.00000000e+00 8.38815997e-01] [8.38815997e-01 0.00000000e+00 1.61184003e-01] [1.61184003e-01 0.00000000e+00 8.38815997e-01] [1.61184003e-01 0.00000000e+00 1.61184003e-01] [8.38815997e-01 8.38815997e-01 1.06192036e-34] [1.61184003e-01 8.38815997e-01 1.13777181e-34] [8.38815997e-01 1.61184003e-01 9.48143178e-36] [1.61184003e-01 1.61184003e-01 1.70665772e-35] [5.00000000e-01 8.39421524e-01 6.70632169e-01] [5.00000000e-01 1.60578476e-01 6.70632169e-01] [5.00000000e-01 8.39421524e-01 3.29367831e-01] [5.00000000e-01 1.60578476e-01 3.29367831e-01] [6.70632169e-01 5.00000000e-01 8.39421524e-01] [6.70632169e-01 5.00000000e-01 1.60578476e-01] [3.29367831e-01 5.00000000e-01 8.39421524e-01] [3.29367831e-01 5.00000000e-01 1.60578476e-01] [8.39421524e-01 6.70632169e-01 5.00000000e-01] [1.60578476e-01 6.70632169e-01 5.00000000e-01] [8.39421524e-01 3.29367831e-01 5.00000000e-01] [1.60578476e-01 3.29367831e-01 5.00000000e-01] [8.39421524e-01 5.00000000e-01 3.29367831e-01] [1.60578476e-01 5.00000000e-01 3.29367831e-01] [8.39421524e-01 5.00000000e-01 6.70632169e-01] [1.60578476e-01 5.00000000e-01 6.70632169e-01] [5.00000000e-01 6.70632169e-01 1.60578476e-01] [5.00000000e-01 6.70632169e-01 8.39421524e-01] [5.00000000e-01 3.29367831e-01 1.60578476e-01] [5.00000000e-01 3.29367831e-01 8.39421524e-01] [6.70632169e-01 8.39421524e-01 5.00000000e-01] [6.70632169e-01 1.60578476e-01 5.00000000e-01] [3.29367831e-01 8.39421524e-01 5.00000000e-01] [3.29367831e-01 1.60578476e-01 5.00000000e-01] [3.27685855e-47 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.58514542e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.21362327e-34] [6.78665541e-01 5.00000000e-01 5.00000000e-01] [3.21334459e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 6.78665541e-01 5.00000000e-01] [5.00000000e-01 3.21334459e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.78665541e-01] [5.00000000e-01 5.00000000e-01 3.21334459e-01] [6.69348599e-01 6.69348599e-01 6.69348599e-01] [3.30651401e-01 3.30651401e-01 6.69348599e-01] [3.30651401e-01 6.69348599e-01 3.30651401e-01] [6.69348599e-01 3.30651401e-01 3.30651401e-01] [6.69348599e-01 6.69348599e-01 3.30651401e-01] [3.30651401e-01 3.30651401e-01 3.30651401e-01] [6.69348599e-01 3.30651401e-01 6.69348599e-01] [3.30651401e-01 6.69348599e-01 6.69348599e-01] [8.39591322e-01 8.39591322e-01 6.65763196e-01] [1.60408678e-01 1.60408678e-01 6.65763196e-01] [1.60408678e-01 8.39591322e-01 3.34236804e-01] [8.39591322e-01 1.60408678e-01 3.34236804e-01] [6.65763196e-01 8.39591322e-01 8.39591322e-01] [6.65763196e-01 1.60408678e-01 1.60408678e-01] [3.34236804e-01 1.60408678e-01 8.39591322e-01] [3.34236804e-01 8.39591322e-01 1.60408678e-01] [8.39591322e-01 6.65763196e-01 8.39591322e-01] [1.60408678e-01 6.65763196e-01 1.60408678e-01] [8.39591322e-01 3.34236804e-01 1.60408678e-01] [1.60408678e-01 3.34236804e-01 8.39591322e-01] [8.39591322e-01 8.39591322e-01 3.34236804e-01] [1.60408678e-01 1.60408678e-01 3.34236804e-01] [8.39591322e-01 1.60408678e-01 6.65763196e-01] [1.60408678e-01 8.39591322e-01 6.65763196e-01] [8.39591322e-01 6.65763196e-01 1.60408678e-01] [1.60408678e-01 6.65763196e-01 8.39591322e-01] [1.60408678e-01 3.34236804e-01 1.60408678e-01] [8.39591322e-01 3.34236804e-01 8.39591322e-01] [6.65763196e-01 8.39591322e-01 1.60408678e-01] [6.65763196e-01 1.60408678e-01 8.39591322e-01] [3.34236804e-01 8.39591322e-01 8.39591322e-01] [3.34236804e-01 1.60408678e-01 1.60408678e-01]] cellpar = Cell([[12.69540553722394, 3.8197821467743536e-31, 2.246281119320546e-31], [3.12887000346597e-31, 12.69540553722394, 9.53872651849896e-19], [1.5481121601123302e-31, 9.538726518496735e-19, 12.69540553722394]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 8.97675661e-10 2.70091842e-41 1.58831625e-41] [-8.97675661e-10 -2.70091842e-41 -1.58831625e-41] [ 2.21238340e-41 8.97675661e-10 6.74470981e-29] [-2.21238340e-41 -8.97675661e-10 -6.74470981e-29] [ 1.09465003e-41 6.74470981e-29 8.97675661e-10] [-1.09465003e-41 -6.74470981e-29 -8.97675661e-10] [-3.35506575e-11 5.21609849e-32 -5.93633718e-43] [ 3.35506575e-11 -1.04321970e-31 2.60804925e-32] [-8.26879027e-43 -3.35506575e-11 -2.46867654e-30] [ 5.21609849e-32 3.35506575e-11 2.41651555e-30] [ 7.82414774e-32 -2.52083752e-30 -3.35506575e-11] [-1.04321970e-31 2.57299851e-30 3.35506575e-11] [ 5.21609849e-32 -3.35506575e-11 -2.46867654e-30] [ 5.21609849e-32 3.35506575e-11 2.57299851e-30] [-3.35506575e-11 5.21609849e-32 5.21609849e-32] [ 3.35506575e-11 5.21609849e-32 5.21609849e-32] [ 7.82414774e-32 2.57299851e-30 3.35506575e-11] [-4.09125811e-43 -2.46867654e-30 -3.35506575e-11] [ 2.52611066e-40 6.85698559e-09 6.85698559e-09] [-8.53791848e-41 -6.85698559e-09 6.85698559e-09] [ 2.60804925e-32 6.85698559e-09 -6.85698559e-09] [-2.52611066e-40 -6.85698559e-09 -6.85698559e-09] [ 6.85698559e-09 5.15201426e-28 6.85698559e-09] [ 6.85698559e-09 -5.15201426e-28 -6.85698559e-09] [-6.85698559e-09 5.15227506e-28 6.85698559e-09] [-6.85698559e-09 -5.15201426e-28 -6.85698559e-09] [ 6.85698559e-09 6.85698559e-09 5.15201426e-28] [-6.85698559e-09 6.85698559e-09 5.15201426e-28] [ 6.85698559e-09 -6.85698559e-09 -5.15175345e-28] [-6.85698559e-09 -6.85698559e-09 -5.15201426e-28] [-5.21609849e-32 6.47152010e-10 6.47152010e-10] [-8.05795934e-42 -6.47152010e-10 6.47152010e-10] [-5.21609849e-32 6.47152010e-10 -6.47152010e-10] [ 2.60804924e-32 -6.47152010e-10 -6.47152010e-10] [ 6.47152010e-10 4.85717764e-29 6.47152010e-10] [ 6.47152010e-10 -4.86239374e-29 -6.47152010e-10] [-6.47152010e-10 4.85717764e-29 6.47152010e-10] [-6.47152010e-10 -4.86239374e-29 -6.47152010e-10] [ 6.47152010e-10 6.47152010e-10 4.85978569e-29] [-6.47152010e-10 6.47152010e-10 4.86239374e-29] [ 6.47152010e-10 -6.47152010e-10 -4.86500179e-29] [-6.47152010e-10 -6.47152010e-10 -4.86239374e-29] [ 1.30402462e-32 -3.28342238e-10 -1.05265027e-09] [-4.74408240e-42 3.28342238e-10 -1.05265027e-09] [-2.44504617e-32 -3.28342238e-10 1.05265027e-09] [-1.30402462e-32 3.28342238e-10 1.05265027e-09] [-1.05265027e-09 -2.46048797e-29 -3.28342238e-10] [-1.05265027e-09 2.46700809e-29 3.28342238e-10] [ 1.05265027e-09 -2.46700809e-29 -3.28342238e-10] [ 1.05265027e-09 2.46211800e-29 3.28342238e-10] [-3.28342238e-10 -1.05265027e-09 -7.90389952e-29] [ 3.28342238e-10 -1.05265027e-09 -7.90911562e-29] [-3.28342238e-10 1.05265027e-09 7.90911562e-29] [ 3.28342238e-10 1.05265027e-09 7.90389952e-29] [-3.28342238e-10 7.90911562e-29 1.05265027e-09] [ 3.28342238e-10 7.91172367e-29 1.05265027e-09] [-3.28342238e-10 -7.90976763e-29 -1.05265027e-09] [ 3.28342238e-10 -7.91172367e-29 -1.05265027e-09] [-3.26006156e-32 -1.05265027e-09 3.28342238e-10] [-1.30402463e-32 -1.05265027e-09 -3.28342238e-10] [ 1.30402463e-32 1.05265027e-09 3.28342238e-10] [-1.95603693e-32 1.05265027e-09 -3.28342238e-10] [-1.05265027e-09 -3.28342238e-10 -2.46700809e-29] [-1.05265027e-09 3.28342238e-10 2.46440004e-29] [ 1.05265027e-09 -3.28342238e-10 -2.46700809e-29] [ 1.05265027e-09 3.28342238e-10 2.46961614e-29] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.29798257e-09 -7.82414774e-32 1.56482955e-31] [ 2.29798257e-09 -5.21609848e-32 4.06597083e-41] [ 2.08643940e-31 -2.29798257e-09 -1.72659528e-28] [ 5.66353608e-41 2.29798257e-09 1.72555206e-28] [ 1.30402462e-32 -1.72450884e-28 -2.29798257e-09] [-7.82414773e-32 1.72659528e-28 2.29798257e-09] [ 1.21716043e-09 1.21716043e-09 1.21716043e-09] [-1.21716043e-09 -1.21716043e-09 1.21716043e-09] [-1.21716043e-09 1.21716043e-09 -1.21716043e-09] [ 1.21716043e-09 -1.21716043e-09 -1.21716043e-09] [ 1.21716043e-09 1.21716043e-09 -1.21716043e-09] [-1.21716043e-09 -1.21716043e-09 -1.21716043e-09] [ 1.21716043e-09 -1.21716043e-09 1.21716043e-09] [-1.21716043e-09 1.21716043e-09 1.21716043e-09] [ 9.80718053e-10 9.80718053e-10 4.20912650e-10] [-9.80718053e-10 -9.80718053e-10 4.20912650e-10] [-9.80718053e-10 9.80718053e-10 -4.20912650e-10] [ 9.80718053e-10 -9.80718053e-10 -4.20912650e-10] [ 4.20912650e-10 9.80718053e-10 9.80718053e-10] [ 4.20912650e-10 -9.80718053e-10 -9.80718053e-10] [-4.20912650e-10 -9.80718053e-10 9.80718053e-10] [-4.20912650e-10 9.80718053e-10 -9.80718053e-10] [ 9.80718053e-10 4.20912650e-10 9.80718053e-10] [-9.80718053e-10 4.20912650e-10 -9.80718053e-10] [ 9.80718053e-10 -4.20912650e-10 -9.80718053e-10] [-9.80718053e-10 -4.20912650e-10 9.80718053e-10] [ 9.80718053e-10 9.80718053e-10 -4.20912650e-10] [-9.80718053e-10 -9.80718053e-10 -4.20912650e-10] [ 9.80718053e-10 -9.80718053e-10 4.20912650e-10] [-9.80718053e-10 9.80718053e-10 4.20912650e-10] [ 9.80718053e-10 4.20912650e-10 -9.80718053e-10] [-9.80718053e-10 4.20912650e-10 9.80718053e-10] [-9.80718053e-10 -4.20912650e-10 -9.80718053e-10] [ 9.80718053e-10 -4.20912650e-10 9.80718053e-10] [ 4.20912650e-10 9.80718053e-10 -9.80718053e-10] [ 4.20912650e-10 -9.80718053e-10 9.80718053e-10] [-4.20912650e-10 9.80718053e-10 9.80718053e-10] [-4.20912650e-10 -9.80718053e-10 -9.80718053e-10]] stress = [-6.07368066e-12 -6.07368066e-12 -6.07368066e-12 -1.09017686e-27 -5.34552942e-51 -3.71263275e-59] energy per atom = -2.661921626318898 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0