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 16:59:25 -287.452978 0.0785 BFGS: 1 16:59:26 -287.455100 0.0731 BFGS: 2 16:59:26 -287.472221 0.0403 BFGS: 3 16:59:26 -287.472475 0.0401 BFGS: 4 16:59:26 -287.474562 0.0383 BFGS: 5 16:59:26 -287.475264 0.0375 BFGS: 6 16:59:27 -287.475658 0.0369 BFGS: 7 16:59:27 -287.475938 0.0364 BFGS: 8 16:59:27 -287.476623 0.0352 BFGS: 9 16:59:27 -287.477737 0.0329 BFGS: 10 16:59:28 -287.479151 0.0295 BFGS: 11 16:59:28 -287.480113 0.0267 BFGS: 12 16:59:28 -287.480582 0.0255 BFGS: 13 16:59:28 -287.480974 0.0247 BFGS: 14 16:59:29 -287.481674 0.0230 BFGS: 15 16:59:29 -287.482731 0.0272 BFGS: 16 16:59:29 -287.483794 0.0303 BFGS: 17 16:59:30 -287.484425 0.0243 BFGS: 18 16:59:30 -287.484793 0.0234 BFGS: 19 16:59:30 -287.485227 0.0191 BFGS: 20 16:59:30 -287.485900 0.0143 BFGS: 21 16:59:31 -287.486587 0.0124 BFGS: 22 16:59:31 -287.486951 0.0110 BFGS: 23 16:59:31 -287.487068 0.0100 BFGS: 24 16:59:31 -287.487142 0.0090 BFGS: 25 16:59:31 -287.487263 0.0068 BFGS: 26 16:59:31 -287.487395 0.0066 BFGS: 27 16:59:31 -287.487474 0.0046 BFGS: 28 16:59:32 -287.487495 0.0028 BFGS: 29 16:59:32 -287.487502 0.0023 BFGS: 30 16:59:32 -287.487513 0.0021 BFGS: 31 16:59:32 -287.487525 0.0018 BFGS: 32 16:59:32 -287.487532 0.0011 BFGS: 33 16:59:32 -287.487534 0.0009 BFGS: 34 16:59:33 -287.487534 0.0011 BFGS: 35 16:59:33 -287.487534 0.0011 BFGS: 36 16:59:33 -287.487535 0.0008 BFGS: 37 16:59:33 -287.487535 0.0004 BFGS: 38 16:59:33 -287.487536 0.0001 BFGS: 39 16:59:34 -287.487536 0.0001 BFGS: 40 16:59:34 -287.487536 0.0001 BFGS: 41 16:59:34 -287.487536 0.0001 BFGS: 42 16:59:34 -287.487536 0.0001 BFGS: 43 16:59:34 -287.487536 0.0000 BFGS: 44 16:59:35 -287.487536 0.0000 BFGS: 45 16:59:35 -287.487536 0.0000 BFGS: 46 16:59:35 -287.487536 0.0000 BFGS: 47 16:59:35 -287.487536 0.0000 BFGS: 48 16:59:36 -287.487536 0.0000 BFGS: 49 16:59:36 -287.487536 0.0000 BFGS: 50 16:59:36 -287.487536 0.0000 BFGS: 51 16:59:37 -287.487536 0.0000 BFGS: 52 16:59:37 -287.487536 0.0000 BFGS: 53 16:59:37 -287.487536 0.0000 BFGS: 54 16:59:37 -287.487536 0.0000 BFGS: 55 16:59:38 -287.487536 0.0000 BFGS: 56 16:59:38 -287.487536 0.0000 BFGS: 57 16:59:38 -287.487536 0.0000 BFGS: 58 16:59:38 -287.487536 0.0000 BFGS: 59 16:59:38 -287.487536 0.0000 BFGS: 60 16:59:38 -287.487536 0.0000 BFGS: 61 16:59:39 -287.487536 0.0000 BFGS: 62 16:59:39 -287.487536 0.0000 BFGS: 63 16:59:39 -287.487536 0.0000 BFGS: 64 16:59:39 -287.487536 0.0000 BFGS: 65 16:59:39 -287.487536 0.0000 BFGS: 66 16:59:39 -287.487536 0.0000 BFGS: 67 16:59:39 -287.487536 0.0000 BFGS: 68 16:59:39 -287.487536 0.0000 BFGS: 69 16:59:39 -287.487536 0.0000 BFGS: 70 16:59:39 -287.487536 0.0000 BFGS: 71 16:59:40 -287.487536 0.0000 BFGS: 72 16:59:40 -287.487536 0.0000 BFGS: 73 16:59:40 -287.487536 0.0000 BFGS: 74 16:59:40 -287.487536 0.0000 BFGS: 75 16:59:40 -287.487536 0.0000 BFGS: 76 16:59:40 -287.487536 0.0000 BFGS: 77 16:59:40 -287.487536 0.0000 BFGS: 78 16:59:40 -287.487536 0.0000 BFGS: 79 16:59:41 -287.487536 0.0000 BFGS: 80 16:59:41 -287.487536 0.0000 BFGS: 81 16:59:41 -287.487536 0.0000 BFGS: 82 16:59:41 -287.487536 0.0000 BFGS: 83 16:59:41 -287.487536 0.0000 BFGS: 84 16:59:41 -287.487536 0.0000 BFGS: 85 16:59:41 -287.487536 0.0000 BFGS: 86 16:59:41 -287.487536 0.0000 BFGS: 87 16:59:42 -287.487536 0.0000 BFGS: 88 16:59:42 -287.487536 0.0000 BFGS: 89 16:59:42 -287.487536 0.0000 BFGS: 90 16:59:42 -287.487536 0.0000 BFGS: 91 16:59:42 -287.487536 0.0000 BFGS: 92 16:59:42 -287.487536 0.0000 BFGS: 93 16:59:42 -287.487536 0.0000 BFGS: 94 16:59:42 -287.487536 0.0000 BFGS: 95 16:59:43 -287.487536 0.0000 BFGS: 96 16:59:43 -287.487536 0.0000 BFGS: 97 16:59:43 -287.487536 0.0000 BFGS: 98 16:59:43 -287.487536 0.0000 BFGS: 99 16:59:43 -287.487536 0.0000 BFGS: 100 16:59:43 -287.487536 0.0000 BFGS: 101 16:59:43 -287.487536 0.0000 BFGS: 102 16:59:43 -287.487536 0.0000 BFGS: 103 16:59:43 -287.487536 0.0000 BFGS: 104 16:59:44 -287.487536 0.0000 BFGS: 105 16:59:44 -287.487536 0.0000 BFGS: 106 16:59:44 -287.487536 0.0000 BFGS: 107 16:59:44 -287.487536 0.0000 BFGS: 108 16:59:44 -287.487536 0.0000 BFGS: 109 16:59:44 -287.487536 0.0000 BFGS: 110 16:59:44 -287.487536 0.0000 BFGS: 111 16:59:45 -287.487536 0.0000 BFGS: 112 16:59:45 -287.487536 0.0000 BFGS: 113 16:59:45 -287.487536 0.0000 BFGS: 114 16:59:45 -287.487536 0.0000 BFGS: 115 16:59:45 -287.487536 0.0000 BFGS: 116 16:59:45 -287.487536 0.0000 BFGS: 117 16:59:46 -287.487536 0.0000 BFGS: 118 16:59:46 -287.487536 0.0000 BFGS: 119 16:59:46 -287.487536 0.0000 BFGS: 120 16:59:46 -287.487536 0.0000 BFGS: 121 16:59:46 -287.487536 0.0000 BFGS: 122 16:59:46 -287.487536 0.0000 BFGS: 123 16:59:46 -287.487536 0.0000 BFGS: 124 16:59:47 -287.487536 0.0000 BFGS: 125 16:59:47 -287.487536 0.0000 BFGS: 126 16:59:47 -287.487536 0.0000 BFGS: 127 16:59:47 -287.487536 0.0000 BFGS: 128 16:59:47 -287.487536 0.0000 BFGS: 129 16:59:47 -287.487536 0.0000 BFGS: 130 16:59:48 -287.487536 0.0000 BFGS: 131 16:59:48 -287.487536 0.0000 BFGS: 132 16:59:48 -287.487536 0.0000 BFGS: 133 16:59:48 -287.487536 0.0000 BFGS: 134 16:59:48 -287.487536 0.0000 BFGS: 135 16:59:48 -287.487536 0.0000 BFGS: 136 16:59:48 -287.487536 0.0000 BFGS: 137 16:59:49 -287.487536 0.0000 BFGS: 138 16:59:49 -287.487536 0.0000 BFGS: 139 16:59:49 -287.487536 0.0000 BFGS: 140 16:59:49 -287.487536 0.0000 BFGS: 141 16:59:49 -287.487536 0.0000 BFGS: 142 16:59:49 -287.487536 0.0000 BFGS: 143 16:59:49 -287.487536 0.0000 BFGS: 144 16:59:49 -287.487536 0.0000 BFGS: 145 16:59:50 -287.487536 0.0000 BFGS: 146 16:59:50 -287.487536 0.0000 BFGS: 147 16:59:50 -287.487536 0.0000 BFGS: 148 16:59:50 -287.487536 0.0000 BFGS: 149 16:59:50 -287.487536 0.0000 BFGS: 150 16:59:50 -287.487536 0.0000 BFGS: 151 16:59:50 -287.487536 0.0000 BFGS: 152 16:59:51 -287.487536 0.0000 BFGS: 153 16:59:51 -287.487536 0.0000 BFGS: 154 16:59:51 -287.487536 0.0000 BFGS: 155 16:59:52 -287.487536 0.0000 BFGS: 156 16:59:52 -287.487536 0.0000 BFGS: 157 16:59:53 -287.487536 0.0000 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