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 23:26:03 -287.452978 0.078488 BFGS: 1 23:26:03 -287.455100 0.073079 BFGS: 2 23:26:03 -287.472221 0.040253 BFGS: 3 23:26:04 -287.472475 0.040097 BFGS: 4 23:26:04 -287.474562 0.038333 BFGS: 5 23:26:04 -287.475264 0.037463 BFGS: 6 23:26:05 -287.475658 0.036874 BFGS: 7 23:26:05 -287.475938 0.036446 BFGS: 8 23:26:05 -287.476623 0.035248 BFGS: 9 23:26:06 -287.477737 0.032946 BFGS: 10 23:26:06 -287.479151 0.029450 BFGS: 11 23:26:07 -287.480113 0.026696 BFGS: 12 23:26:07 -287.480582 0.025494 BFGS: 13 23:26:07 -287.480974 0.024679 BFGS: 14 23:26:08 -287.481674 0.022971 BFGS: 15 23:26:08 -287.482731 0.027195 BFGS: 16 23:26:08 -287.483794 0.030349 BFGS: 17 23:26:09 -287.484425 0.024309 BFGS: 18 23:26:09 -287.484793 0.023413 BFGS: 19 23:26:09 -287.485227 0.019098 BFGS: 20 23:26:10 -287.485900 0.014280 BFGS: 21 23:26:10 -287.486587 0.012395 BFGS: 22 23:26:11 -287.486951 0.010973 BFGS: 23 23:26:11 -287.487068 0.009999 BFGS: 24 23:26:11 -287.487142 0.008998 BFGS: 25 23:26:12 -287.487263 0.006815 BFGS: 26 23:26:12 -287.487395 0.006553 BFGS: 27 23:26:12 -287.487474 0.004587 BFGS: 28 23:26:13 -287.487495 0.002799 BFGS: 29 23:26:13 -287.487502 0.002256 BFGS: 30 23:26:14 -287.487513 0.002109 BFGS: 31 23:26:14 -287.487525 0.001825 BFGS: 32 23:26:14 -287.487532 0.001107 BFGS: 33 23:26:15 -287.487534 0.000865 BFGS: 34 23:26:15 -287.487534 0.001051 BFGS: 35 23:26:15 -287.487534 0.001056 BFGS: 36 23:26:16 -287.487535 0.000831 BFGS: 37 23:26:16 -287.487535 0.000400 BFGS: 38 23:26:17 -287.487536 0.000120 BFGS: 39 23:26:17 -287.487536 0.000085 BFGS: 40 23:26:17 -287.487536 0.000087 BFGS: 41 23:26:18 -287.487536 0.000085 BFGS: 42 23:26:18 -287.487536 0.000071 BFGS: 43 23:26:18 -287.487536 0.000050 BFGS: 44 23:26:19 -287.487536 0.000026 BFGS: 45 23:26:19 -287.487536 0.000021 BFGS: 46 23:26:19 -287.487536 0.000019 BFGS: 47 23:26:20 -287.487536 0.000016 BFGS: 48 23:26:20 -287.487536 0.000012 BFGS: 49 23:26:21 -287.487536 0.000008 BFGS: 50 23:26:21 -287.487536 0.000003 BFGS: 51 23:26:21 -287.487536 0.000002 BFGS: 52 23:26:22 -287.487536 0.000002 BFGS: 53 23:26:22 -287.487536 0.000002 BFGS: 54 23:26:22 -287.487536 0.000002 BFGS: 55 23:26:23 -287.487536 0.000002 BFGS: 56 23:26:23 -287.487536 0.000002 BFGS: 57 23:26:23 -287.487536 0.000001 BFGS: 58 23:26:24 -287.487536 0.000001 BFGS: 59 23:26:24 -287.487536 0.000001 BFGS: 60 23:26:24 -287.487536 0.000001 BFGS: 61 23:26:25 -287.487536 0.000001 BFGS: 62 23:26:25 -287.487536 0.000001 BFGS: 63 23:26:26 -287.487536 0.000001 BFGS: 64 23:26:26 -287.487536 0.000001 BFGS: 65 23:26:26 -287.487536 0.000001 BFGS: 66 23:26:27 -287.487536 0.000001 BFGS: 67 23:26:27 -287.487536 0.000001 BFGS: 68 23:26:27 -287.487536 0.000001 BFGS: 69 23:26:28 -287.487536 0.000001 BFGS: 70 23:26:28 -287.487536 0.000001 BFGS: 71 23:26:29 -287.487536 0.000001 BFGS: 72 23:26:29 -287.487536 0.000001 BFGS: 73 23:26:29 -287.487536 0.000001 BFGS: 74 23:26:30 -287.487536 0.000001 BFGS: 75 23:26:30 -287.487536 0.000001 BFGS: 76 23:26:30 -287.487536 0.000001 BFGS: 77 23:26:31 -287.487536 0.000001 BFGS: 78 23:26:31 -287.487536 0.000001 BFGS: 79 23:26:32 -287.487536 0.000000 BFGS: 80 23:26:32 -287.487536 0.000000 BFGS: 81 23:26:32 -287.487536 0.000000 BFGS: 82 23:26:33 -287.487536 0.000000 BFGS: 83 23:26:33 -287.487536 0.000000 BFGS: 84 23:26:33 -287.487536 0.000000 BFGS: 85 23:26:34 -287.487536 0.000000 BFGS: 86 23:26:34 -287.487536 0.000000 BFGS: 87 23:26:35 -287.487536 0.000000 BFGS: 88 23:26:35 -287.487536 0.000000 BFGS: 89 23:26:35 -287.487536 0.000000 BFGS: 90 23:26:36 -287.487536 0.000000 BFGS: 91 23:26:36 -287.487536 0.000000 BFGS: 92 23:26:37 -287.487536 0.000000 BFGS: 93 23:26:37 -287.487536 0.000000 BFGS: 94 23:26:37 -287.487536 0.000000 BFGS: 95 23:26:38 -287.487536 0.000000 BFGS: 96 23:26:38 -287.487536 0.000000 BFGS: 97 23:26:39 -287.487536 0.000000 BFGS: 98 23:26:39 -287.487536 0.000000 BFGS: 99 23:26:39 -287.487536 0.000000 BFGS: 100 23:26:40 -287.487536 0.000000 BFGS: 101 23:26:40 -287.487536 0.000000 BFGS: 102 23:26:40 -287.487536 0.000000 BFGS: 103 23:26:41 -287.487536 0.000000 BFGS: 104 23:26:41 -287.487536 0.000000 BFGS: 105 23:26:42 -287.487536 0.000000 BFGS: 106 23:26:42 -287.487536 0.000000 BFGS: 107 23:26:42 -287.487536 0.000000 BFGS: 108 23:26:43 -287.487536 0.000000 BFGS: 109 23:26:43 -287.487536 0.000000 BFGS: 110 23:26:44 -287.487536 0.000000 BFGS: 111 23:26:44 -287.487536 0.000000 BFGS: 112 23:26:44 -287.487536 0.000000 BFGS: 113 23:26:45 -287.487536 0.000000 BFGS: 114 23:26:45 -287.487536 0.000000 BFGS: 115 23:26:45 -287.487536 0.000000 BFGS: 116 23:26:46 -287.487536 0.000000 BFGS: 117 23:26:46 -287.487536 0.000000 BFGS: 118 23:26:46 -287.487536 0.000000 BFGS: 119 23:26:47 -287.487536 0.000000 BFGS: 120 23:26:47 -287.487536 0.000000 BFGS: 121 23:26:47 -287.487536 0.000000 BFGS: 122 23:26:48 -287.487536 0.000000 BFGS: 123 23:26:48 -287.487536 0.000000 BFGS: 124 23:26:49 -287.487536 0.000000 BFGS: 125 23:26:49 -287.487536 0.000000 BFGS: 126 23:26:49 -287.487536 0.000000 BFGS: 127 23:26:49 -287.487536 0.000000 BFGS: 128 23:26:50 -287.487536 0.000000 BFGS: 129 23:26:50 -287.487536 0.000000 BFGS: 130 23:26:50 -287.487536 0.000000 BFGS: 131 23:26:51 -287.487536 0.000000 BFGS: 132 23:26:51 -287.487536 0.000000 BFGS: 133 23:26:51 -287.487536 0.000000 BFGS: 134 23:26:52 -287.487536 0.000000 BFGS: 135 23:26:52 -287.487536 0.000000 BFGS: 136 23:26:52 -287.487536 0.000000 BFGS: 137 23:26:52 -287.487536 0.000000 BFGS: 138 23:26:53 -287.487536 0.000000 BFGS: 139 23:26:53 -287.487536 0.000000 BFGS: 140 23:26:53 -287.487536 0.000000 BFGS: 141 23:26:54 -287.487536 0.000000 BFGS: 142 23:26:54 -287.487536 0.000000 BFGS: 143 23:26:55 -287.487536 0.000000 BFGS: 144 23:26:55 -287.487536 0.000000 BFGS: 145 23:26:55 -287.487536 0.000000 BFGS: 146 23:26:56 -287.487536 0.000000 BFGS: 147 23:26:56 -287.487536 0.000000 BFGS: 148 23:26:56 -287.487536 0.000000 BFGS: 149 23:26:57 -287.487536 0.000000 BFGS: 150 23:26:57 -287.487536 0.000000 BFGS: 151 23:26:57 -287.487536 0.000000 BFGS: 152 23:26:58 -287.487536 0.000000 BFGS: 153 23:26:58 -287.487536 0.000000 BFGS: 154 23:26:58 -287.487536 0.000000 BFGS: 155 23:26:59 -287.487536 0.000000 BFGS: 156 23:26:59 -287.487536 0.000000 BFGS: 157 23:27:00 -287.487536 0.000000 Minimization converged after 157 steps. Maximum force component: 6.8569717664307425e-09 eV/Angstrom Maximum stress component: 6.072725484152242e-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 1.73943343e-35] [3.30307336e-01 1.26243153e-35 0.00000000e+00] [1.26976936e-35 6.69692664e-01 2.27554363e-35] [0.00000000e+00 3.30307336e-01 0.00000000e+00] [0.00000000e+00 3.79257271e-36 6.69692664e-01] [1.17805405e-35 0.00000000e+00 3.30307336e-01] [1.65615789e-01 5.00000000e-01 0.00000000e+00] [8.34384211e-01 5.00000000e-01 0.00000000e+00] [0.00000000e+00 1.65615789e-01 5.00000000e-01] [0.00000000e+00 8.34384211e-01 5.00000000e-01] [5.00000000e-01 1.42221477e-35 1.65615789e-01] [5.00000000e-01 2.65480090e-35 8.34384211e-01] [5.00000000e-01 1.65615789e-01 4.74071589e-36] [5.00000000e-01 8.34384211e-01 2.65480090e-35] [1.65615789e-01 3.79257271e-36 5.00000000e-01] [8.34384211e-01 7.58514542e-36 5.00000000e-01] [0.00000000e+00 5.00000000e-01 8.34384211e-01] [0.00000000e+00 5.00000000e-01 1.65615789e-01] [0.00000000e+00 6.65242669e-01 6.65242669e-01] [2.33123344e-37 3.34757331e-01 6.65242669e-01] [3.51199092e-37 6.65242669e-01 3.34757331e-01] [2.01246380e-37 3.34757331e-01 3.34757331e-01] [6.65242669e-01 1.13777181e-35 6.65242669e-01] [6.65242669e-01 9.48143178e-36 3.34757331e-01] [3.34757331e-01 0.00000000e+00 6.65242669e-01] [3.34757331e-01 2.46517226e-35 3.34757331e-01] [6.65242669e-01 6.65242669e-01 2.65480090e-35] [3.34757331e-01 6.65242669e-01 5.68885907e-35] [6.65242669e-01 3.34757331e-01 0.00000000e+00] [3.34757331e-01 3.34757331e-01 7.58514542e-36] [0.00000000e+00 8.38815997e-01 8.38815997e-01] [2.58341754e-36 1.61184003e-01 8.38815997e-01] [0.00000000e+00 8.38815997e-01 1.61184003e-01] [7.79766051e-38 1.61184003e-01 1.61184003e-01] [8.38815997e-01 0.00000000e+00 8.38815997e-01] [8.38815997e-01 9.48143178e-36 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 3.79257271e-36] [1.61184003e-01 8.38815997e-01 4.55108725e-35] [8.38815997e-01 1.61184003e-01 7.58514542e-36] [1.61184003e-01 1.61184003e-01 1.04295750e-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] [4.74282158e-48 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.79257271e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.27554363e-35] [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([[12.69540553722395, 9.051000999131425e-32, 1.8628442808083326e-31], [6.142820682586431e-32, 12.69540553722395, -5.079113501734361e-19], [-6.3472950866213815e-31, -5.079113501727102e-19, 12.69540553722395]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 8.97677696e-10 -4.89009233e-33 -2.60804924e-32] [-8.97677696e-10 -1.38552616e-32 -2.28204309e-32] [-1.30402462e-32 8.97677696e-10 -3.59138343e-29] [-5.21609849e-32 -8.97677696e-10 3.59007941e-29] [-6.52012316e-33 -3.59464349e-29 8.97677696e-10] [-2.11904001e-32 3.58877538e-29 -8.97677696e-10] [-3.35542674e-11 -2.60804925e-32 1.30402462e-32] [ 3.35542674e-11 2.60804925e-32 -2.60804925e-32] [ 1.30402462e-32 -3.35542674e-11 1.38154286e-30] [-2.60804925e-32 3.35542674e-11 -1.31634163e-30] [-2.60804925e-32 1.35220231e-30 -3.35542674e-11] [-1.67760562e-42 -1.36850262e-30 3.35542674e-11] [-5.21609849e-32 -3.35542674e-11 1.32286176e-30] [-5.21609849e-32 3.35542674e-11 -1.32938188e-30] [-3.35542674e-11 -2.60804925e-32 -5.21609849e-32] [ 3.35542674e-11 1.30402462e-32 -2.60804925e-32] [ 1.95603693e-32 -1.39458311e-30 3.35542674e-11] [-6.52012311e-33 1.29026114e-30 -3.35542674e-11] [-3.09648308e-40 6.85697177e-09 6.85697177e-09] [-3.76004830e-40 -6.85697177e-09 6.85697177e-09] [-3.91207383e-32 6.85697177e-09 -6.85697177e-09] [ 1.30402465e-32 -6.85697177e-09 -6.85697177e-09] [ 6.85697177e-09 -2.74330251e-28 6.85697177e-09] [ 6.85697177e-09 2.74330251e-28 -6.85697177e-09] [-6.85697177e-09 -2.74356332e-28 6.85697177e-09] [-6.85697177e-09 2.74330251e-28 -6.85697177e-09] [ 6.85697177e-09 6.85697177e-09 -2.74323731e-28] [-6.85697177e-09 6.85697177e-09 -2.74317211e-28] [ 6.85697177e-09 -6.85697177e-09 2.74317211e-28] [-6.85697177e-09 -6.85697177e-09 2.74330251e-28] [-2.92243692e-41 6.47155723e-10 6.47155723e-10] [-3.54870468e-41 -6.47155723e-10 6.47155723e-10] [ 5.21609850e-32 6.47155723e-10 -6.47155723e-10] [ 2.60804925e-32 -6.47155723e-10 -6.47155723e-10] [ 6.47155723e-10 -2.58910782e-29 6.47155723e-10] [ 6.47155723e-10 2.58649977e-29 -6.47155723e-10] [-6.47155723e-10 -2.57867562e-29 6.47155723e-10] [-6.47155723e-10 2.59432392e-29 -6.47155723e-10] [ 6.47155723e-10 6.47155723e-10 -2.58649977e-29] [-6.47155723e-10 6.47155723e-10 -2.59171587e-29] [ 6.47155723e-10 -6.47155723e-10 2.59693196e-29] [-6.47155723e-10 -6.47155723e-10 2.59432392e-29] [-1.30402462e-32 -3.28337502e-10 -1.05264882e-09] [-7.82414773e-32 3.28337502e-10 -1.05264882e-09] [ 1.30402462e-32 -3.28337502e-10 1.05264882e-09] [-4.56408619e-32 3.28337502e-10 1.05264882e-09] [-1.05264882e-09 1.30903195e-29 -3.28337502e-10] [-1.05264882e-09 -1.31750811e-29 3.28337502e-10] [ 1.05264882e-09 1.31490006e-29 -3.28337502e-10] [ 1.05264882e-09 -1.31753867e-29 3.28337502e-10] [-3.28337502e-10 -1.05264882e-09 4.20616795e-29] [ 3.28337502e-10 -1.05264882e-09 4.20877600e-29] [-3.28337502e-10 1.05264882e-09 -4.20877600e-29] [ 3.28337502e-10 1.05264882e-09 -4.21529612e-29] [-3.28337502e-10 -4.20616795e-29 1.05264882e-09] [ 3.28337502e-10 -4.21660015e-29 1.05264882e-09] [-3.28337502e-10 4.21334009e-29 -1.05264882e-09] [ 3.28337502e-10 4.20950952e-29 -1.05264882e-09] [ 2.60804924e-32 -1.05264882e-09 3.28337502e-10] [-5.21609849e-32 -1.05264882e-09 -3.28337502e-10] [-7.17213543e-32 1.05264882e-09 3.28337502e-10] [ 3.91207387e-32 1.05264882e-09 -3.28337502e-10] [-1.05264882e-09 -3.28337502e-10 1.31490006e-29] [-1.05264882e-09 3.28337502e-10 -1.31620408e-29] [ 1.05264882e-09 -3.28337502e-10 1.31750811e-29] [ 1.05264882e-09 3.28337502e-10 -1.32011616e-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] [-2.29797048e-09 5.21609849e-32 -1.04321970e-31] [ 2.29797048e-09 -5.21609849e-32 1.04321970e-31] [-1.04321970e-31 -2.29797048e-09 9.19881993e-29] [ 1.04321970e-31 2.29797048e-09 -9.19881993e-29] [ 5.21609850e-32 9.18317163e-29 -2.29797048e-09] [-5.21609850e-32 -9.18317163e-29 2.29797048e-09] [ 1.21715712e-09 1.21715712e-09 1.21715712e-09] [-1.21715712e-09 -1.21715712e-09 1.21715712e-09] [-1.21715712e-09 1.21715712e-09 -1.21715712e-09] [ 1.21715712e-09 -1.21715712e-09 -1.21715712e-09] [ 1.21715712e-09 1.21715712e-09 -1.21715712e-09] [-1.21715712e-09 -1.21715712e-09 -1.21715712e-09] [ 1.21715712e-09 -1.21715712e-09 1.21715712e-09] [-1.21715712e-09 1.21715712e-09 1.21715712e-09] [ 9.80726783e-10 9.80726783e-10 4.20913232e-10] [-9.80726783e-10 -9.80726783e-10 4.20913232e-10] [-9.80726783e-10 9.80726783e-10 -4.20913232e-10] [ 9.80726783e-10 -9.80726783e-10 -4.20913232e-10] [ 4.20913232e-10 9.80726783e-10 9.80726783e-10] [ 4.20913232e-10 -9.80726783e-10 -9.80726783e-10] [-4.20913232e-10 -9.80726783e-10 9.80726783e-10] [-4.20913232e-10 9.80726783e-10 -9.80726783e-10] [ 9.80726783e-10 4.20913232e-10 9.80726783e-10] [-9.80726783e-10 4.20913232e-10 -9.80726783e-10] [ 9.80726783e-10 -4.20913232e-10 -9.80726783e-10] [-9.80726783e-10 -4.20913232e-10 9.80726783e-10] [ 9.80726783e-10 9.80726783e-10 -4.20913232e-10] [-9.80726783e-10 -9.80726783e-10 -4.20913232e-10] [ 9.80726783e-10 -9.80726783e-10 4.20913232e-10] [-9.80726783e-10 9.80726783e-10 4.20913232e-10] [ 9.80726783e-10 4.20913232e-10 -9.80726783e-10] [-9.80726783e-10 4.20913232e-10 9.80726783e-10] [-9.80726783e-10 -4.20913232e-10 -9.80726783e-10] [ 9.80726783e-10 -4.20913232e-10 9.80726783e-10] [ 4.20913232e-10 9.80726783e-10 -9.80726783e-10] [ 4.20913232e-10 -9.80726783e-10 9.80726783e-10] [-4.20913232e-10 9.80726783e-10 9.80726783e-10] [-4.20913232e-10 -9.80726783e-10 -9.80726783e-10]] stress = [-6.07272548e-12 -6.07272548e-12 -6.07272548e-12 -3.98557469e-27 8.40770456e-59 5.71770077e-60] energy per atom = -2.6619216263189003 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0