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: EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 ==== 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 16:58:50 -284.624608 0.2672 BFGS: 1 16:58:50 -284.674672 0.2398 BFGS: 2 16:58:50 -284.932107 0.0636 BFGS: 3 16:58:50 -284.933279 0.0616 BFGS: 4 16:58:50 -284.940942 0.0200 BFGS: 5 16:58:50 -284.942342 0.0175 BFGS: 6 16:58:50 -284.942761 0.0131 BFGS: 7 16:58:50 -284.942971 0.0131 BFGS: 8 16:58:50 -284.943365 0.0108 BFGS: 9 16:58:50 -284.943606 0.0066 BFGS: 10 16:58:51 -284.943693 0.0058 BFGS: 11 16:58:51 -284.943716 0.0058 BFGS: 12 16:58:51 -284.943740 0.0052 BFGS: 13 16:58:51 -284.943778 0.0037 BFGS: 14 16:58:51 -284.943813 0.0026 BFGS: 15 16:58:51 -284.943828 0.0022 BFGS: 16 16:58:51 -284.943831 0.0019 BFGS: 17 16:58:51 -284.943833 0.0017 BFGS: 18 16:58:51 -284.943837 0.0013 BFGS: 19 16:58:51 -284.943841 0.0011 BFGS: 20 16:58:51 -284.943842 0.0011 BFGS: 21 16:58:51 -284.943843 0.0011 BFGS: 22 16:58:51 -284.943843 0.0011 BFGS: 23 16:58:51 -284.943844 0.0011 BFGS: 24 16:58:52 -284.943844 0.0011 BFGS: 25 16:58:52 -284.943845 0.0011 BFGS: 26 16:58:52 -284.943845 0.0010 BFGS: 27 16:58:52 -284.943845 0.0010 BFGS: 28 16:58:52 -284.943846 0.0010 BFGS: 29 16:58:52 -284.943847 0.0009 BFGS: 30 16:58:52 -284.943848 0.0007 BFGS: 31 16:58:52 -284.943850 0.0007 BFGS: 32 16:58:52 -284.943852 0.0009 BFGS: 33 16:58:52 -284.943850 0.0013 BFGS: 34 16:58:52 -284.943853 0.0009 BFGS: 35 16:58:52 -284.943853 0.0008 BFGS: 36 16:58:52 -284.943855 0.0003 BFGS: 37 16:58:52 -284.943855 0.0003 BFGS: 38 16:58:53 -284.943855 0.0004 BFGS: 39 16:58:53 -284.943855 0.0003 BFGS: 40 16:58:53 -284.943855 0.0003 BFGS: 41 16:58:53 -284.943856 0.0001 BFGS: 42 16:58:53 -284.943856 0.0001 BFGS: 43 16:58:53 -284.943856 0.0000 BFGS: 44 16:58:53 -284.943856 0.0000 BFGS: 45 16:58:53 -284.943856 0.0000 BFGS: 46 16:58:53 -284.943856 0.0000 BFGS: 47 16:58:53 -284.943856 0.0000 BFGS: 48 16:58:54 -284.943856 0.0000 BFGS: 49 16:58:54 -284.943856 0.0000 BFGS: 50 16:58:54 -284.943856 0.0000 BFGS: 51 16:58:54 -284.943856 0.0000 BFGS: 52 16:58:54 -284.943856 0.0000 BFGS: 53 16:58:54 -284.943856 0.0000 BFGS: 54 16:58:54 -284.943856 0.0000 BFGS: 55 16:58:55 -284.943856 0.0000 BFGS: 56 16:58:55 -284.943856 0.0000 BFGS: 57 16:58:55 -284.943856 0.0000 BFGS: 58 16:58:55 -284.943856 0.0000 BFGS: 59 16:58:56 -284.943856 0.0000 BFGS: 60 16:58:56 -284.943856 0.0000 BFGS: 61 16:58:56 -284.943856 0.0000 BFGS: 62 16:58:56 -284.943856 0.0000 BFGS: 63 16:58:56 -284.943856 0.0000 BFGS: 64 16:58:57 -284.943856 0.0000 BFGS: 65 16:58:57 -284.943856 0.0000 BFGS: 66 16:58:57 -284.943856 0.0000 BFGS: 67 16:58:57 -284.943856 0.0000 BFGS: 68 16:58:57 -284.943856 0.0000 BFGS: 69 16:58:57 -284.943856 0.0000 BFGS: 70 16:58:58 -284.943856 0.0000 BFGS: 71 16:58:58 -284.943856 0.0000 BFGS: 72 16:58:58 -284.943856 0.0000 BFGS: 73 16:58:58 -284.943856 0.0000 BFGS: 74 16:58:58 -284.943856 0.0000 BFGS: 75 16:58:59 -284.943856 0.0000 BFGS: 76 16:58:59 -284.943856 0.0000 BFGS: 77 16:58:59 -284.943856 0.0000 BFGS: 78 16:58:59 -284.943856 0.0000 BFGS: 79 16:58:59 -284.943856 0.0000 BFGS: 80 16:58:59 -284.943856 0.0000 BFGS: 81 16:59:00 -284.943856 0.0000 BFGS: 82 16:59:00 -284.943856 0.0000 BFGS: 83 16:59:00 -284.943856 0.0000 BFGS: 84 16:59:00 -284.943856 0.0000 BFGS: 85 16:59:00 -284.943856 0.0000 BFGS: 86 16:59:00 -284.943856 0.0000 BFGS: 87 16:59:00 -284.943856 0.0000 BFGS: 88 16:59:01 -284.943856 0.0000 BFGS: 89 16:59:01 -284.943856 0.0000 BFGS: 90 16:59:01 -284.943856 0.0000 BFGS: 91 16:59:02 -284.943856 0.0000 BFGS: 92 16:59:02 -284.943856 0.0000 BFGS: 93 16:59:02 -284.943856 0.0000 BFGS: 94 16:59:03 -284.943856 0.0000 BFGS: 95 16:59:03 -284.943856 0.0000 BFGS: 96 16:59:03 -284.943856 0.0000 BFGS: 97 16:59:03 -284.943856 0.0000 BFGS: 98 16:59:04 -284.943856 0.0000 BFGS: 99 16:59:04 -284.943856 0.0000 BFGS: 100 16:59:04 -284.943856 0.0000 BFGS: 101 16:59:04 -284.943856 0.0000 BFGS: 102 16:59:04 -284.943856 0.0000 BFGS: 103 16:59:04 -284.943856 0.0000 BFGS: 104 16:59:04 -284.943856 0.0000 BFGS: 105 16:59:04 -284.943856 0.0000 BFGS: 106 16:59:04 -284.943856 0.0000 BFGS: 107 16:59:04 -284.943856 0.0000 BFGS: 108 16:59:05 -284.943856 0.0000 BFGS: 109 16:59:05 -284.943856 0.0000 BFGS: 110 16:59:05 -284.943856 0.0000 BFGS: 111 16:59:05 -284.943856 0.0000 BFGS: 112 16:59:05 -284.943856 0.0000 BFGS: 113 16:59:05 -284.943856 0.0000 BFGS: 114 16:59:05 -284.943856 0.0000 BFGS: 115 16:59:06 -284.943856 0.0000 BFGS: 116 16:59:06 -284.943856 0.0000 BFGS: 117 16:59:06 -284.943856 0.0000 BFGS: 118 16:59:06 -284.943856 0.0000 BFGS: 119 16:59:06 -284.943856 0.0000 BFGS: 120 16:59:06 -284.943856 0.0000 BFGS: 121 16:59:07 -284.943856 0.0000 BFGS: 122 16:59:07 -284.943856 0.0000 BFGS: 123 16:59:07 -284.943856 0.0000 BFGS: 124 16:59:07 -284.943856 0.0000 BFGS: 125 16:59:08 -284.943856 0.0000 BFGS: 126 16:59:08 -284.943856 0.0000 BFGS: 127 16:59:08 -284.943856 0.0000 BFGS: 128 16:59:08 -284.943856 0.0000 BFGS: 129 16:59:08 -284.943856 0.0000 BFGS: 130 16:59:09 -284.943856 0.0000 BFGS: 131 16:59:09 -284.943856 0.0000 BFGS: 132 16:59:09 -284.943856 0.0000 BFGS: 133 16:59:09 -284.943856 0.0000 BFGS: 134 16:59:09 -284.943856 0.0000 BFGS: 135 16:59:10 -284.943856 0.0000 BFGS: 136 16:59:10 -284.943856 0.0000 BFGS: 137 16:59:10 -284.943856 0.0000 BFGS: 138 16:59:10 -284.943856 0.0000 BFGS: 139 16:59:10 -284.943856 0.0000 BFGS: 140 16:59:10 -284.943856 0.0000 BFGS: 141 16:59:11 -284.943856 0.0000 BFGS: 142 16:59:11 -284.943856 0.0000 BFGS: 143 16:59:11 -284.943856 0.0000 BFGS: 144 16:59:11 -284.943856 0.0000 BFGS: 145 16:59:11 -284.943856 0.0000 BFGS: 146 16:59:11 -284.943856 0.0000 BFGS: 147 16:59:12 -284.943856 0.0000 BFGS: 148 16:59:12 -284.943856 0.0000 BFGS: 149 16:59:12 -284.943856 0.0000 BFGS: 150 16:59:12 -284.943856 0.0000 BFGS: 151 16:59:13 -284.943856 0.0000 BFGS: 152 16:59:13 -284.943856 0.0000 BFGS: 153 16:59:13 -284.943856 0.0000 BFGS: 154 16:59:13 -284.943856 0.0000 BFGS: 155 16:59:13 -284.943856 0.0000 BFGS: 156 16:59:13 -284.943856 0.0000 BFGS: 157 16:59:14 -284.943856 0.0000 BFGS: 158 16:59:14 -284.943856 0.0000 BFGS: 159 16:59:14 -284.943856 0.0000 BFGS: 160 16:59:14 -284.943856 0.0000 BFGS: 161 16:59:14 -284.943856 0.0000 BFGS: 162 16:59:14 -284.943856 0.0000 BFGS: 163 16:59:15 -284.943856 0.0000 BFGS: 164 16:59:15 -284.943856 0.0000 BFGS: 165 16:59:15 -284.943856 0.0000 BFGS: 166 16:59:15 -284.943856 0.0000 BFGS: 167 16:59:15 -284.943856 0.0000 BFGS: 168 16:59:16 -284.943856 0.0000 BFGS: 169 16:59:16 -284.943856 0.0000 BFGS: 170 16:59:16 -284.943856 0.0000 BFGS: 171 16:59:16 -284.943856 0.0000 BFGS: 172 16:59:17 -284.943856 0.0000 BFGS: 173 16:59:17 -284.943856 0.0000 BFGS: 174 16:59:17 -284.943856 0.0000 BFGS: 175 16:59:17 -284.943856 0.0000 BFGS: 176 16:59:17 -284.943856 0.0000 BFGS: 177 16:59:17 -284.943856 0.0000 BFGS: 178 16:59:17 -284.943856 0.0000 BFGS: 179 16:59:17 -284.943856 0.0000 BFGS: 180 16:59:17 -284.943856 0.0000 BFGS: 181 16:59:17 -284.943856 0.0000 BFGS: 182 16:59:17 -284.943856 0.0000 BFGS: 183 16:59:18 -284.943856 0.0000 BFGS: 184 16:59:18 -284.943856 0.0000 BFGS: 185 16:59:18 -284.943856 0.0000 BFGS: 186 16:59:18 -284.943856 0.0000 BFGS: 187 16:59:18 -284.943856 0.0000 BFGS: 188 16:59:19 -284.943856 0.0000 BFGS: 189 16:59:19 -284.943856 0.0000 BFGS: 190 16:59:19 -284.943856 0.0000 BFGS: 191 16:59:19 -284.943856 0.0000 BFGS: 192 16:59:19 -284.943856 0.0000 BFGS: 193 16:59:19 -284.943856 0.0000 BFGS: 194 16:59:19 -284.943856 0.0000 BFGS: 195 16:59:19 -284.943856 0.0000 BFGS: 196 16:59:19 -284.943856 0.0000 BFGS: 197 16:59:20 -284.943856 0.0000 BFGS: 198 16:59:20 -284.943856 0.0000 BFGS: 199 16:59:20 -284.943856 0.0000 BFGS: 200 16:59:20 -284.943856 0.0000 BFGS: 201 16:59:20 -284.943856 0.0000 BFGS: 202 16:59:20 -284.943856 0.0000 BFGS: 203 16:59:20 -284.943856 0.0000 BFGS: 204 16:59:21 -284.943856 0.0000 BFGS: 205 16:59:21 -284.943856 0.0000 BFGS: 206 16:59:21 -284.943856 0.0000 Minimization converged after 206 steps. Maximum force component: 9.883467361367087e-09 eV/Angstrom Maximum stress component: 4.411007197077938e-11 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] [6.67026256e-01 0.00000000e+00 1.01664641e-35] [3.32973744e-01 9.17686195e-36 9.33279816e-36] [1.12014596e-35 6.67026256e-01 0.00000000e+00] [1.07360694e-35 3.32973744e-01 7.75777620e-36] [0.00000000e+00 1.14547834e-35 6.67026256e-01] [7.80175096e-36 1.03152440e-35 3.32973744e-01] [1.65029030e-01 5.00000000e-01 3.30355063e-36] [8.34970970e-01 5.00000000e-01 0.00000000e+00] [1.92389221e-36 1.65029030e-01 5.00000000e-01] [0.00000000e+00 8.34970970e-01 5.00000000e-01] [5.00000000e-01 1.51443669e-36 1.65029030e-01] [5.00000000e-01 0.00000000e+00 8.34970970e-01] [5.00000000e-01 1.65029030e-01 2.91380589e-37] [5.00000000e-01 8.34970970e-01 2.07863860e-37] [1.65029030e-01 2.22711278e-38 5.00000000e-01] [8.34970970e-01 2.52406115e-37 5.00000000e-01] [4.33877844e-37 5.00000000e-01 8.34970970e-01] [4.12400780e-37 5.00000000e-01 1.65029030e-01] [0.00000000e+00 6.67459198e-01 6.67459198e-01] [0.00000000e+00 3.32540802e-01 6.67459198e-01] [1.23422038e-36 6.67459198e-01 3.32540802e-01] [4.94513327e-37 3.32540802e-01 3.32540802e-01] [6.67459198e-01 0.00000000e+00 6.67459198e-01] [6.67459198e-01 0.00000000e+00 3.32540802e-01] [3.32540802e-01 7.94336893e-37 6.67459198e-01] [3.32540802e-01 8.83421404e-37 3.32540802e-01] [6.67459198e-01 6.67459198e-01 0.00000000e+00] [3.32540802e-01 6.67459198e-01 0.00000000e+00] [6.67459198e-01 3.32540802e-01 1.91160514e-36] [3.32540802e-01 3.32540802e-01 3.67473609e-37] [3.43181653e-36 8.37736238e-01 8.37736238e-01] [0.00000000e+00 1.62263762e-01 8.37736238e-01] [0.00000000e+00 8.37736238e-01 1.62263762e-01] [3.49207826e-38 1.62263762e-01 1.62263762e-01] [8.37736238e-01 3.80093915e-36 8.37736238e-01] [8.37736238e-01 0.00000000e+00 1.62263762e-01] [1.62263762e-01 0.00000000e+00 8.37736238e-01] [1.62263762e-01 0.00000000e+00 1.62263762e-01] [8.37736238e-01 8.37736238e-01 3.72670206e-36] [1.62263762e-01 8.37736238e-01 0.00000000e+00] [8.37736238e-01 1.62263762e-01 0.00000000e+00] [1.62263762e-01 1.62263762e-01 0.00000000e+00] [5.00000000e-01 8.37464924e-01 6.70601303e-01] [5.00000000e-01 1.62535076e-01 6.70601303e-01] [5.00000000e-01 8.37464924e-01 3.29398697e-01] [5.00000000e-01 1.62535076e-01 3.29398697e-01] [6.70601303e-01 5.00000000e-01 8.37464924e-01] [6.70601303e-01 5.00000000e-01 1.62535076e-01] [3.29398697e-01 5.00000000e-01 8.37464924e-01] [3.29398697e-01 5.00000000e-01 1.62535076e-01] [8.37464924e-01 6.70601303e-01 5.00000000e-01] [1.62535076e-01 6.70601303e-01 5.00000000e-01] [8.37464924e-01 3.29398697e-01 5.00000000e-01] [1.62535076e-01 3.29398697e-01 5.00000000e-01] [8.37464924e-01 5.00000000e-01 3.29398697e-01] [1.62535076e-01 5.00000000e-01 3.29398697e-01] [8.37464924e-01 5.00000000e-01 6.70601303e-01] [1.62535076e-01 5.00000000e-01 6.70601303e-01] [5.00000000e-01 6.70601303e-01 1.62535076e-01] [5.00000000e-01 6.70601303e-01 8.37464924e-01] [5.00000000e-01 3.29398697e-01 1.62535076e-01] [5.00000000e-01 3.29398697e-01 8.37464924e-01] [6.70601303e-01 8.37464924e-01 5.00000000e-01] [6.70601303e-01 1.62535076e-01 5.00000000e-01] [3.29398697e-01 8.37464924e-01 5.00000000e-01] [3.29398697e-01 1.62535076e-01 5.00000000e-01] [6.04963453e-48 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.96948371e-38 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [6.72168850e-01 5.00000000e-01 5.00000000e-01] [3.27831150e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 6.72168850e-01 5.00000000e-01] [5.00000000e-01 3.27831150e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.72168850e-01] [5.00000000e-01 5.00000000e-01 3.27831150e-01] [6.70021585e-01 6.70021585e-01 6.70021585e-01] [3.29978415e-01 3.29978415e-01 6.70021585e-01] [3.29978415e-01 6.70021585e-01 3.29978415e-01] [6.70021585e-01 3.29978415e-01 3.29978415e-01] [6.70021585e-01 6.70021585e-01 3.29978415e-01] [3.29978415e-01 3.29978415e-01 3.29978415e-01] [6.70021585e-01 3.29978415e-01 6.70021585e-01] [3.29978415e-01 6.70021585e-01 6.70021585e-01] [8.38765432e-01 8.38765432e-01 6.68920695e-01] [1.61234568e-01 1.61234568e-01 6.68920695e-01] [1.61234568e-01 8.38765432e-01 3.31079305e-01] [8.38765432e-01 1.61234568e-01 3.31079305e-01] [6.68920695e-01 8.38765432e-01 8.38765432e-01] [6.68920695e-01 1.61234568e-01 1.61234568e-01] [3.31079305e-01 1.61234568e-01 8.38765432e-01] [3.31079305e-01 8.38765432e-01 1.61234568e-01] [8.38765432e-01 6.68920695e-01 8.38765432e-01] [1.61234568e-01 6.68920695e-01 1.61234568e-01] [8.38765432e-01 3.31079305e-01 1.61234568e-01] [1.61234568e-01 3.31079305e-01 8.38765432e-01] [8.38765432e-01 8.38765432e-01 3.31079305e-01] [1.61234568e-01 1.61234568e-01 3.31079305e-01] [8.38765432e-01 1.61234568e-01 6.68920695e-01] [1.61234568e-01 8.38765432e-01 6.68920695e-01] [8.38765432e-01 6.68920695e-01 1.61234568e-01] [1.61234568e-01 6.68920695e-01 8.38765432e-01] [1.61234568e-01 3.31079305e-01 1.61234568e-01] [8.38765432e-01 3.31079305e-01 8.38765432e-01] [6.68920695e-01 8.38765432e-01 1.61234568e-01] [6.68920695e-01 1.61234568e-01 8.38765432e-01] [3.31079305e-01 8.38765432e-01 8.38765432e-01] [3.31079305e-01 1.61234568e-01 1.61234568e-01]] cellpar = Cell([[12.667461040032673, 8.670319863148548e-32, 1.0544459342312349e-32], [-1.816570474703853e-31, 12.667461040032673, -1.031299222483149e-21], [-1.0544474414959637e-32, -1.0312992223613174e-21, 12.667461040032673]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 9.88346736e-09 6.76479865e-41 8.22704877e-42] [-9.88346736e-09 -6.76479865e-41 -8.22704877e-42] [-1.41733335e-40 9.88346736e-09 -8.04645238e-31] [ 1.41733335e-40 -9.88346736e-09 8.04645238e-31] [-8.22706053e-42 -8.04645238e-31 9.88346736e-09] [ 8.22706053e-42 8.04645238e-31 -9.88346736e-09] [-9.81473483e-09 -6.71775426e-41 3.12277024e-31] [ 9.81473483e-09 -6.50577128e-33 -5.20461707e-31] [ 4.16369366e-31 -9.81473483e-09 7.99049499e-31] [-2.08184683e-31 9.81473483e-09 -7.99049499e-31] [ 8.16984714e-42 1.21541887e-30 -9.81473483e-09] [-8.16984714e-42 -1.00723418e-30 9.81473483e-09] [ 1.40747680e-40 -9.81473483e-09 1.21541887e-30] [-1.40747680e-40 9.81473483e-09 -7.99049499e-31] [-9.81473483e-09 7.28646390e-31 -8.16983546e-42] [ 9.81473483e-09 2.08184683e-31 8.16983546e-42] [-8.16984714e-42 -7.99049499e-31 9.81473483e-09] [ 4.16369366e-31 7.99049499e-31 -9.81473483e-09] [ 2.08184683e-31 -5.63798694e-10 -5.63798694e-10] [ 2.08184683e-31 5.63798694e-10 -5.63798694e-10] [ 1.04092341e-31 -5.63798694e-10 5.63798694e-10] [-1.04092341e-31 5.63798694e-10 5.63798694e-10] [-5.63798694e-10 3.58177711e-31 -5.63798694e-10] [-5.63798694e-10 1.62283997e-31 5.63798694e-10] [ 5.63798694e-10 1.49993028e-31 -5.63798694e-10] [ 5.63798694e-10 -2.54085369e-31 5.63798694e-10] [-5.63798694e-10 -5.63798694e-10 -2.66376338e-31] [ 5.63798694e-10 -5.63798694e-10 1.49993028e-31] [-5.63798694e-10 5.63798694e-10 -4.59006862e-32] [ 5.63798694e-10 5.63798694e-10 -1.49993028e-31] [-5.51214691e-41 3.63290080e-09 3.63290080e-09] [ 4.90733700e-41 -3.63290080e-09 3.63290080e-09] [-4.90733700e-41 3.63290080e-09 -3.63290080e-09] [ 5.51214691e-41 -3.63290080e-09 -3.63290080e-09] [ 3.63290080e-09 -2.95766275e-31 3.63290080e-09] [ 3.63290080e-09 2.95766275e-31 -3.63290080e-09] [-3.63290080e-09 -2.95766275e-31 3.63290080e-09] [-3.63290080e-09 2.95766275e-31 -3.63290080e-09] [ 3.63290080e-09 3.63290080e-09 -2.95766275e-31] [-3.63290080e-09 3.63290080e-09 -2.95766275e-31] [ 3.63290080e-09 -3.63290080e-09 2.95766275e-31] [-3.63290080e-09 -3.63290080e-09 2.95766275e-31] [ 5.20461707e-32 2.72962250e-09 5.68164588e-09] [ 3.44145676e-41 -2.72962250e-09 5.68164588e-09] [-3.44145676e-41 2.72962250e-09 -5.68164588e-09] [-1.56138512e-31 -2.72962250e-09 -5.68164588e-09] [ 5.68164588e-09 -2.22227449e-31 2.72962250e-09] [ 5.68164588e-09 2.22227449e-31 -2.72962250e-09] [-5.68164588e-09 -2.22227449e-31 2.72962250e-09] [-5.68164588e-09 3.26319791e-31 -2.72962250e-09] [ 2.72962250e-09 5.68164588e-09 -4.62561279e-31] [-2.72962250e-09 5.68164588e-09 -4.10515108e-31] [ 2.72962250e-09 -5.68164588e-09 4.62561279e-31] [-2.72962250e-09 -5.68164588e-09 5.66653620e-31] [ 2.72962250e-09 4.62561279e-31 -5.68164588e-09] [-2.72962250e-09 4.62561278e-31 -5.68164588e-09] [ 2.72962250e-09 -5.66653620e-31 5.68164588e-09] [-2.72962250e-09 -4.62561279e-31 5.68164588e-09] [-7.92051838e-41 5.68164588e-09 -2.72962250e-09] [-5.20461708e-32 5.68164588e-09 2.72962250e-09] [ 5.20461708e-32 -5.68164588e-09 -2.72962250e-09] [ 7.92051838e-41 -5.68164588e-09 2.72962250e-09] [ 5.68164588e-09 2.72962250e-09 -3.26319791e-31] [ 5.68164588e-09 -2.72962250e-09 2.22227449e-31] [-5.68164588e-09 2.72962250e-09 -2.22227449e-31] [-5.68164588e-09 -2.72962250e-09 2.22227449e-31] [ 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] [ 6.66139054e-09 4.55942880e-41 -5.20461707e-32] [-6.66139054e-09 -4.55942880e-41 5.20461707e-32] [-5.20461708e-32 6.66139054e-09 -5.42325479e-31] [ 2.60230855e-32 -6.66139054e-09 5.16302394e-31] [-5.54498347e-42 -5.94371650e-31 6.66139054e-09] [ 5.54498347e-42 5.94371650e-31 -6.66139054e-09] [ 3.25237897e-09 3.25237897e-09 3.25237897e-09] [-3.25237897e-09 -3.25237897e-09 3.25237897e-09] [-3.25237897e-09 3.25237897e-09 -3.25237897e-09] [ 3.25237897e-09 -3.25237897e-09 -3.25237897e-09] [ 3.25237897e-09 3.25237897e-09 -3.25237897e-09] [-3.25237897e-09 -3.25237897e-09 -3.25237897e-09] [ 3.25237897e-09 -3.25237897e-09 3.25237897e-09] [-3.25237897e-09 3.25237897e-09 3.25237897e-09] [ 3.00603154e-09 3.00603154e-09 4.31125370e-09] [-3.00603154e-09 -3.00603154e-09 4.31125370e-09] [-3.00603154e-09 3.00603154e-09 -4.31125370e-09] [ 3.00603154e-09 -3.00603154e-09 -4.31125370e-09] [ 4.31125370e-09 3.00603154e-09 3.00603154e-09] [ 4.31125370e-09 -3.00603154e-09 -3.00603154e-09] [-4.31125370e-09 -3.00603154e-09 3.00603154e-09] [-4.31125370e-09 3.00603154e-09 -3.00603154e-09] [ 3.00603154e-09 4.31125370e-09 3.00603154e-09] [-3.00603154e-09 4.31125370e-09 -3.00603154e-09] [ 3.00603154e-09 -4.31125370e-09 -3.00603154e-09] [-3.00603154e-09 -4.31125370e-09 3.00603154e-09] [ 3.00603154e-09 3.00603154e-09 -4.31125370e-09] [-3.00603154e-09 -3.00603154e-09 -4.31125370e-09] [ 3.00603154e-09 -3.00603154e-09 4.31125370e-09] [-3.00603154e-09 3.00603154e-09 4.31125370e-09] [ 3.00603154e-09 4.31125370e-09 -3.00603154e-09] [-3.00603154e-09 4.31125370e-09 3.00603154e-09] [-3.00603154e-09 -4.31125370e-09 -3.00603154e-09] [ 3.00603154e-09 -4.31125370e-09 3.00603154e-09] [ 4.31125370e-09 3.00603154e-09 -3.00603154e-09] [ 4.31125370e-09 -3.00603154e-09 3.00603154e-09] [-4.31125370e-09 3.00603154e-09 3.00603154e-09] [-4.31125370e-09 -3.00603154e-09 -3.00603154e-09]] stress = [-4.41100720e-11 -4.41100720e-11 -4.41100720e-11 2.08835384e-33 1.78765419e-59 -2.48366815e-58] energy per atom = -2.6383690333916467 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0