element(s): ['Mg', 'Zn'] AFLOW prototype label: A4B7_mC110_12_10i_ae8i4j Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'z9', 'x10', 'z10', 'x11', 'z11', 'x12', 'z12', 'x13', 'z13', 'x14', 'z14', 'x15', 'z15', 'x16', 'z16', 'x17', 'z17', 'x18', 'z18', 'x19', 'z19', 'x20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.6636', '0.2019553', '0.54939291', '77.5107', '0.17816533', '0.17523342', '0.16079703', '0.75217891', '0.35822037', '0.92357174', '0.12497937', '0.40020413', '0.035204103', '0.78640775', '0.48431242', '0.89702341', '0.44226826', '0.54627132', '0.0073984775', '0.59486214', '0.21432065', '0.52636464', '0.30408265', '0.14787228', '0.07816571', '0.092568922', '0.48150059', '0.32201734', '0.33031753', '0.5364631', '0.3495426', '0.71359997', '0.40230831', '0.23213472', '0.31166746', '0.36037135', '0.25850498', '0.83801979', '0.16859687', '0.96499405', '0.56934975', '0.25163966', '0.25351579', '0.73241639', '0.25395507', '0.32487592', '0.6068316', '0.25903031', '0.60199354', '0.58764822', '0.24529868', '0.92773531'] model name: MEAM_LAMMPS_JangKimLee_2018_ZnMg__MO_474962707676_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0.82183467 0. 0.82476658] [0.83920297 0. 0.24782109] [0.64177963 0. 0.07642826] [0.87502063 0. 0.59979587] [0.9647959 0. 0.21359225] [0.51568758 0. 0.10297659] [0.55773174 0. 0.45372868] [0.99260152 0. 0.40513786] [0.78567935 0. 0.47363536] [0.69591735 0. 0.85212772] [0. 0. 0. ] [0.25 0.25 0. ] [0.92183429 0. 0.90743108] [0.51849941 0. 0.67798266] [0.66968247 0. 0.4635369 ] [0.6504574 0. 0.28640003] [0.59769169 0. 0.76786528] [0.68833254 0. 0.63962865] [0.74149502 0. 0.16198021] [0.83140313 0. 0.03500595] [0.93065025 0.75163966 0.74648421] [0.76758361 0.75395507 0.67512408] [0.8931684 0.75903031 0.39800646] [0.91235178 0.74529868 0.07226469]] spacegroup = 12 cell = [[25.6636, 0, 0], [0, 5.1829, 0], [3.0490979875493, 0, 13.765757582579]] ========================================= Step Time Energy fmax BFGS: 0 15:43:45 -146.804028 0.637141 BFGS: 1 15:43:46 -146.846579 0.633234 BFGS: 2 15:43:46 -146.994374 0.615784 BFGS: 3 15:43:46 -147.066156 0.601793 BFGS: 4 15:43:47 -147.122326 0.589589 BFGS: 5 15:43:48 -147.183411 0.591555 BFGS: 6 15:43:48 -147.249973 0.675967 BFGS: 7 15:43:48 -147.319582 0.723608 BFGS: 8 15:43:48 -147.390004 0.744482 BFGS: 9 15:43:49 -147.459670 0.746213 BFGS: 10 15:43:49 -147.527635 0.734534 BFGS: 11 15:43:49 -147.593416 0.713629 BFGS: 12 15:43:49 -147.656832 0.686488 BFGS: 13 15:43:50 -147.717877 0.655231 BFGS: 14 15:43:50 -147.776642 0.621365 BFGS: 15 15:43:50 -147.833266 0.585972 BFGS: 16 15:43:50 -147.887909 0.549832 BFGS: 17 15:43:51 -147.940734 0.513516 BFGS: 18 15:43:51 -147.991901 0.477443 BFGS: 19 15:43:51 -148.041560 0.441921 BFGS: 20 15:43:51 -148.089849 0.423279 BFGS: 21 15:43:52 -148.136894 0.413232 BFGS: 22 15:43:52 -148.182806 0.403215 BFGS: 23 15:43:53 -148.227684 0.393226 BFGS: 24 15:43:53 -148.271614 0.392768 BFGS: 25 15:43:53 -148.314671 0.399700 BFGS: 26 15:43:54 -148.356916 0.405521 BFGS: 27 15:43:54 -148.398405 0.410273 BFGS: 28 15:43:54 -148.439180 0.414000 BFGS: 29 15:43:55 -148.479277 0.416742 BFGS: 30 15:43:55 -148.518725 0.418537 BFGS: 31 15:43:55 -148.557546 0.419422 BFGS: 32 15:43:55 -148.595755 0.419432 BFGS: 33 15:43:55 -148.633364 0.418601 BFGS: 34 15:43:56 -148.670379 0.416960 BFGS: 35 15:43:56 -148.706801 0.414540 BFGS: 36 15:43:56 -148.742630 0.411369 BFGS: 37 15:43:56 -148.777860 0.407475 BFGS: 38 15:43:56 -148.812484 0.402882 BFGS: 39 15:43:57 -148.846492 0.397616 BFGS: 40 15:43:57 -148.879872 0.391699 BFGS: 41 15:43:57 -148.912610 0.385153 BFGS: 42 15:43:57 -148.944688 0.377999 BFGS: 43 15:43:57 -148.976091 0.370253 BFGS: 44 15:43:57 -149.006798 0.361936 BFGS: 45 15:43:57 -149.036789 0.353061 BFGS: 46 15:43:58 -149.066044 0.343644 BFGS: 47 15:43:58 -149.094539 0.333698 BFGS: 48 15:43:58 -149.122250 0.323234 BFGS: 49 15:43:58 -149.149153 0.312261 BFGS: 50 15:43:58 -149.175221 0.300787 BFGS: 51 15:43:58 -149.200428 0.288817 BFGS: 52 15:43:59 -149.224745 0.276353 BFGS: 53 15:43:59 -149.248143 0.263397 BFGS: 54 15:43:59 -149.270591 0.249943 BFGS: 55 15:43:59 -149.292056 0.235986 BFGS: 56 15:43:59 -149.312504 0.221512 BFGS: 57 15:44:00 -149.331898 0.206502 BFGS: 58 15:44:00 -149.350201 0.190932 BFGS: 59 15:44:00 -149.367369 0.174762 BFGS: 60 15:44:00 -149.383357 0.157942 BFGS: 61 15:44:00 -149.398115 0.150007 BFGS: 62 15:44:00 -149.411588 0.143665 BFGS: 63 15:44:01 -149.423714 0.135744 BFGS: 64 15:44:01 -149.434422 0.125861 BFGS: 65 15:44:01 -149.443635 0.113339 BFGS: 66 15:44:01 -149.451271 0.096735 BFGS: 67 15:44:01 -149.457287 0.071558 BFGS: 68 15:44:01 -149.460529 0.058994 BFGS: 69 15:44:02 -149.466310 0.045517 BFGS: 70 15:44:02 -149.470385 0.040584 BFGS: 71 15:44:02 -149.472878 0.031526 BFGS: 72 15:44:02 -149.474167 0.027814 BFGS: 73 15:44:02 -149.474481 0.025333 BFGS: 74 15:44:02 -149.475400 0.024444 BFGS: 75 15:44:03 -149.476424 0.023705 BFGS: 76 15:44:03 -149.477562 0.024402 BFGS: 77 15:44:04 -149.478103 0.025370 BFGS: 78 15:44:04 -149.478353 0.025739 BFGS: 79 15:44:04 -149.478622 0.025746 BFGS: 80 15:44:05 -149.479145 0.025327 BFGS: 81 15:44:05 -149.479897 0.024324 BFGS: 82 15:44:05 -149.480592 0.023144 BFGS: 83 15:44:05 -149.480960 0.022521 BFGS: 84 15:44:05 -149.481151 0.022359 BFGS: 85 15:44:06 -149.481356 0.022328 BFGS: 86 15:44:06 -149.481647 0.022335 BFGS: 87 15:44:06 -149.481954 0.022315 BFGS: 88 15:44:06 -149.482197 0.023561 BFGS: 89 15:44:07 -149.482386 0.021923 BFGS: 90 15:44:07 -149.482583 0.021529 BFGS: 91 15:44:07 -149.482804 0.021032 BFGS: 92 15:44:07 -149.483013 0.020581 BFGS: 93 15:44:07 -149.483189 0.020283 BFGS: 94 15:44:08 -149.483354 0.020094 BFGS: 95 15:44:08 -149.483550 0.019906 BFGS: 96 15:44:08 -149.483819 0.019600 BFGS: 97 15:44:08 -149.484206 0.020162 BFGS: 98 15:44:08 -149.484733 0.020944 BFGS: 99 15:44:09 -149.485324 0.021401 BFGS: 100 15:44:09 -149.485849 0.023511 BFGS: 101 15:44:09 -149.486293 0.021785 BFGS: 102 15:44:09 -149.486797 0.023890 BFGS: 103 15:44:09 -149.487529 0.021710 BFGS: 104 15:44:10 -149.488469 0.023387 BFGS: 105 15:44:10 -149.489327 0.022085 BFGS: 106 15:44:10 -149.489902 0.023464 BFGS: 107 15:44:10 -149.490336 0.020984 BFGS: 108 15:44:10 -149.490799 0.014577 BFGS: 109 15:44:10 -149.491249 0.015702 BFGS: 110 15:44:10 -149.491563 0.015681 BFGS: 111 15:44:11 -149.491767 0.013714 BFGS: 112 15:44:11 -149.491960 0.013566 BFGS: 113 15:44:11 -149.492168 0.009896 BFGS: 114 15:44:11 -149.492325 0.008283 BFGS: 115 15:44:11 -149.492413 0.008550 BFGS: 116 15:44:11 -149.492476 0.007341 BFGS: 117 15:44:12 -149.492551 0.005761 BFGS: 118 15:44:12 -149.492622 0.006152 BFGS: 119 15:44:12 -149.492669 0.007912 BFGS: 120 15:44:12 -149.492699 0.007837 BFGS: 121 15:44:12 -149.492733 0.006200 BFGS: 122 15:44:12 -149.492775 0.004532 BFGS: 123 15:44:13 -149.492811 0.003653 BFGS: 124 15:44:13 -149.492829 0.003794 BFGS: 125 15:44:13 -149.492839 0.003587 BFGS: 126 15:44:13 -149.492850 0.003008 BFGS: 127 15:44:13 -149.492864 0.002579 BFGS: 128 15:44:13 -149.492875 0.002902 BFGS: 129 15:44:13 -149.492882 0.002668 BFGS: 130 15:44:13 -149.492887 0.002348 BFGS: 131 15:44:13 -149.492893 0.002177 BFGS: 132 15:44:13 -149.492899 0.002138 BFGS: 133 15:44:13 -149.492903 0.002144 BFGS: 134 15:44:14 -149.492905 0.002165 BFGS: 135 15:44:14 -149.492908 0.002179 BFGS: 136 15:44:14 -149.492911 0.002171 BFGS: 137 15:44:14 -149.492914 0.002131 BFGS: 138 15:44:14 -149.492915 0.002081 BFGS: 139 15:44:14 -149.492917 0.002036 BFGS: 140 15:44:14 -149.492919 0.001986 BFGS: 141 15:44:14 -149.492921 0.001940 BFGS: 142 15:44:14 -149.492923 0.001919 BFGS: 143 15:44:14 -149.492924 0.001921 BFGS: 144 15:44:14 -149.492926 0.001925 BFGS: 145 15:44:14 -149.492928 0.001914 BFGS: 146 15:44:14 -149.492930 0.001868 BFGS: 147 15:44:15 -149.492933 0.001785 BFGS: 148 15:44:15 -149.492935 0.001704 BFGS: 149 15:44:15 -149.492937 0.001644 BFGS: 150 15:44:15 -149.492938 0.001582 BFGS: 151 15:44:15 -149.492941 0.001516 BFGS: 152 15:44:15 -149.492943 0.001468 BFGS: 153 15:44:15 -149.492944 0.001449 BFGS: 154 15:44:15 -149.492945 0.001437 BFGS: 155 15:44:15 -149.492947 0.001408 BFGS: 156 15:44:16 -149.492950 0.001342 BFGS: 157 15:44:16 -149.492952 0.001645 BFGS: 158 15:44:16 -149.492955 0.001740 BFGS: 159 15:44:16 -149.492958 0.001381 BFGS: 160 15:44:16 -149.492961 0.001255 BFGS: 161 15:44:16 -149.492965 0.001240 BFGS: 162 15:44:16 -149.492968 0.001633 BFGS: 163 15:44:16 -149.492970 0.001709 BFGS: 164 15:44:17 -149.492972 0.001393 BFGS: 165 15:44:17 -149.492975 0.001287 BFGS: 166 15:44:17 -149.492978 0.001179 BFGS: 167 15:44:17 -149.492981 0.001208 BFGS: 168 15:44:17 -149.492982 0.001107 BFGS: 169 15:44:17 -149.492983 0.000780 BFGS: 170 15:44:17 -149.492984 0.000776 BFGS: 171 15:44:18 -149.492985 0.000644 BFGS: 172 15:44:18 -149.492985 0.000574 BFGS: 173 15:44:18 -149.492985 0.000558 BFGS: 174 15:44:18 -149.492986 0.000451 BFGS: 175 15:44:18 -149.492986 0.000309 BFGS: 176 15:44:18 -149.492986 0.000290 BFGS: 177 15:44:18 -149.492986 0.000347 BFGS: 178 15:44:18 -149.492986 0.000332 BFGS: 179 15:44:18 -149.492986 0.000279 BFGS: 180 15:44:18 -149.492986 0.000183 BFGS: 181 15:44:18 -149.492987 0.000171 BFGS: 182 15:44:19 -149.492987 0.000156 BFGS: 183 15:44:19 -149.492987 0.000140 BFGS: 184 15:44:19 -149.492987 0.000122 BFGS: 185 15:44:19 -149.492987 0.000080 BFGS: 186 15:44:19 -149.492987 0.000072 BFGS: 187 15:44:19 -149.492987 0.000063 BFGS: 188 15:44:19 -149.492987 0.000042 BFGS: 189 15:44:20 -149.492987 0.000025 BFGS: 190 15:44:20 -149.492987 0.000019 BFGS: 191 15:44:20 -149.492987 0.000014 BFGS: 192 15:44:20 -149.492987 0.000014 BFGS: 193 15:44:20 -149.492987 0.000013 BFGS: 194 15:44:20 -149.492987 0.000013 BFGS: 195 15:44:20 -149.492987 0.000014 BFGS: 196 15:44:20 -149.492987 0.000014 BFGS: 197 15:44:21 -149.492987 0.000013 BFGS: 198 15:44:21 -149.492987 0.000013 BFGS: 199 15:44:21 -149.492987 0.000013 BFGS: 200 15:44:21 -149.492987 0.000013 BFGS: 201 15:44:21 -149.492987 0.000013 BFGS: 202 15:44:21 -149.492987 0.000013 BFGS: 203 15:44:21 -149.492987 0.000013 BFGS: 204 15:44:21 -149.492987 0.000013 BFGS: 205 15:44:21 -149.492987 0.000012 BFGS: 206 15:44:22 -149.492987 0.000012 BFGS: 207 15:44:22 -149.492987 0.000011 BFGS: 208 15:44:22 -149.492987 0.000011 BFGS: 209 15:44:22 -149.492987 0.000012 BFGS: 210 15:44:22 -149.492987 0.000016 BFGS: 211 15:44:22 -149.492987 0.000018 BFGS: 212 15:44:22 -149.492987 0.000014 BFGS: 213 15:44:23 -149.492987 0.000013 BFGS: 214 15:44:23 -149.492987 0.000013 BFGS: 215 15:44:23 -149.492987 0.000014 BFGS: 216 15:44:23 -149.492987 0.000013 BFGS: 217 15:44:23 -149.492987 0.000010 BFGS: 218 15:44:23 -149.492987 0.000004 BFGS: 219 15:44:23 -149.492987 0.000004 BFGS: 220 15:44:23 -149.492987 0.000003 BFGS: 221 15:44:23 -149.492987 0.000003 BFGS: 222 15:44:23 -149.492987 0.000002 BFGS: 223 15:44:23 -149.492987 0.000002 BFGS: 224 15:44:23 -149.492987 0.000002 BFGS: 225 15:44:23 -149.492987 0.000001 BFGS: 226 15:44:23 -149.492987 0.000001 BFGS: 227 15:44:24 -149.492987 0.000001 BFGS: 228 15:44:24 -149.492987 0.000001 BFGS: 229 15:44:24 -149.492987 0.000001 BFGS: 230 15:44:24 -149.492987 0.000001 BFGS: 231 15:44:24 -149.492987 0.000001 BFGS: 232 15:44:24 -149.492987 0.000001 BFGS: 233 15:44:24 -149.492987 0.000001 BFGS: 234 15:44:24 -149.492987 0.000001 BFGS: 235 15:44:24 -149.492987 0.000001 BFGS: 236 15:44:24 -149.492987 0.000001 BFGS: 237 15:44:24 -149.492987 0.000001 BFGS: 238 15:44:24 -149.492987 0.000001 BFGS: 239 15:44:25 -149.492987 0.000001 BFGS: 240 15:44:25 -149.492987 0.000000 BFGS: 241 15:44:25 -149.492987 0.000000 BFGS: 242 15:44:25 -149.492987 0.000000 BFGS: 243 15:44:25 -149.492987 0.000000 BFGS: 244 15:44:25 -149.492987 0.000000 BFGS: 245 15:44:25 -149.492987 0.000000 BFGS: 246 15:44:25 -149.492987 0.000000 BFGS: 247 15:44:25 -149.492987 0.000000 BFGS: 248 15:44:25 -149.492987 0.000000 BFGS: 249 15:44:25 -149.492987 0.000000 BFGS: 250 15:44:26 -149.492987 0.000000 BFGS: 251 15:44:26 -149.492987 0.000000 BFGS: 252 15:44:26 -149.492987 0.000000 BFGS: 253 15:44:26 -149.492987 0.000000 BFGS: 254 15:44:26 -149.492987 0.000000 BFGS: 255 15:44:26 -149.492987 0.000000 BFGS: 256 15:44:26 -149.492987 0.000000 BFGS: 257 15:44:26 -149.492987 0.000000 BFGS: 258 15:44:26 -149.492987 0.000000 BFGS: 259 15:44:26 -149.492987 0.000000 BFGS: 260 15:44:26 -149.492987 0.000000 BFGS: 261 15:44:26 -149.492987 0.000000 BFGS: 262 15:44:26 -149.492987 0.000000 BFGS: 263 15:44:27 -149.492987 0.000000 BFGS: 264 15:44:27 -149.492987 0.000000 BFGS: 265 15:44:27 -149.492987 0.000000 BFGS: 266 15:44:27 -149.492987 0.000000 BFGS: 267 15:44:27 -149.492987 0.000000 BFGS: 268 15:44:27 -149.492987 0.000000 BFGS: 269 15:44:27 -149.492987 0.000000 BFGS: 270 15:44:27 -149.492987 0.000000 BFGS: 271 15:44:27 -149.492987 0.000000 BFGS: 272 15:44:27 -149.492987 0.000000 BFGS: 273 15:44:27 -149.492987 0.000000 BFGS: 274 15:44:28 -149.492987 0.000000 BFGS: 275 15:44:28 -149.492987 0.000000 BFGS: 276 15:44:28 -149.492987 0.000000 BFGS: 277 15:44:28 -149.492987 0.000000 BFGS: 278 15:44:28 -149.492987 0.000000 BFGS: 279 15:44:28 -149.492987 0.000000 BFGS: 280 15:44:28 -149.492987 0.000000 BFGS: 281 15:44:29 -149.492987 0.000000 BFGS: 282 15:44:29 -149.492987 0.000000 BFGS: 283 15:44:29 -149.492987 0.000000 BFGS: 284 15:44:29 -149.492987 0.000000 BFGS: 285 15:44:29 -149.492987 0.000000 BFGS: 286 15:44:29 -149.492987 0.000000 BFGS: 287 15:44:29 -149.492987 0.000000 BFGS: 288 15:44:29 -149.492987 0.000000 BFGS: 289 15:44:29 -149.492987 0.000000 BFGS: 290 15:44:29 -149.492987 0.000000 BFGS: 291 15:44:29 -149.492987 0.000000 BFGS: 292 15:44:30 -149.492987 0.000000 BFGS: 293 15:44:30 -149.492987 0.000000 BFGS: 294 15:44:30 -149.492987 0.000000 BFGS: 295 15:44:30 -149.492987 0.000000 BFGS: 296 15:44:30 -149.492987 0.000000 BFGS: 297 15:44:30 -149.492987 0.000000 BFGS: 298 15:44:30 -149.492987 0.000000 BFGS: 299 15:44:30 -149.492987 0.000000 BFGS: 300 15:44:30 -149.492987 0.000000 BFGS: 301 15:44:31 -149.492987 0.000000 BFGS: 302 15:44:31 -149.492987 0.000000 BFGS: 303 15:44:31 -149.492987 0.000000 BFGS: 304 15:44:31 -149.492987 0.000000 BFGS: 305 15:44:31 -149.492987 0.000000 BFGS: 306 15:44:31 -149.492987 0.000000 BFGS: 307 15:44:31 -149.492987 0.000000 BFGS: 308 15:44:32 -149.492987 0.000000 BFGS: 309 15:44:32 -149.492987 0.000000 BFGS: 310 15:44:32 -149.492987 0.000000 BFGS: 311 15:44:32 -149.492987 0.000000 BFGS: 312 15:44:33 -149.492987 0.000000 BFGS: 313 15:44:33 -149.492987 0.000000 BFGS: 314 15:44:33 -149.492987 0.000000 BFGS: 315 15:44:33 -149.492987 0.000000 BFGS: 316 15:44:34 -149.492987 0.000000 BFGS: 317 15:44:34 -149.492987 0.000000 BFGS: 318 15:44:34 -149.492987 0.000000 BFGS: 319 15:44:35 -149.492987 0.000000 BFGS: 320 15:44:35 -149.492987 0.000000 BFGS: 321 15:44:35 -149.492987 0.000000 BFGS: 322 15:44:35 -149.492987 0.000000 BFGS: 323 15:44:35 -149.492987 0.000000 BFGS: 324 15:44:36 -149.492987 0.000000 BFGS: 325 15:44:36 -149.492987 0.000000 BFGS: 326 15:44:36 -149.492987 0.000000 BFGS: 327 15:44:36 -149.492987 0.000000 BFGS: 328 15:44:36 -149.492987 0.000000 BFGS: 329 15:44:36 -149.492987 0.000000 BFGS: 330 15:44:36 -149.492987 0.000000 BFGS: 331 15:44:36 -149.492987 0.000000 BFGS: 332 15:44:36 -149.492987 0.000000 BFGS: 333 15:44:36 -149.492987 0.000000 BFGS: 334 15:44:36 -149.492987 0.000000 BFGS: 335 15:44:36 -149.492987 0.000000 BFGS: 336 15:44:36 -149.492987 0.000000 BFGS: 337 15:44:37 -149.492987 0.000000 BFGS: 338 15:44:37 -149.492987 0.000000 BFGS: 339 15:44:37 -149.492987 0.000000 BFGS: 340 15:44:37 -149.492987 0.000000 BFGS: 341 15:44:37 -149.492987 0.000000 BFGS: 342 15:44:37 -149.492987 0.000000 BFGS: 343 15:44:37 -149.492987 0.000000 BFGS: 344 15:44:37 -149.492987 0.000000 Minimization converged after 344 steps. Maximum force component: 9.696867578608899e-09 eV/Angstrom Maximum stress component: 1.429058221567947e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[8.23152598e-01 1.24073279e-32 8.22288078e-01] [1.76847402e-01 0.00000000e+00 1.77711922e-01] [3.23152598e-01 5.00000000e-01 8.22288078e-01] [6.76847402e-01 5.00000000e-01 1.77711922e-01] [8.38715668e-01 7.21356273e-34 2.46648590e-01] [1.61284332e-01 2.88542509e-33 7.53351410e-01] [3.38715668e-01 5.00000000e-01 2.46648590e-01] [6.61284332e-01 5.00000000e-01 7.53351410e-01] [6.41263086e-01 0.00000000e+00 7.82754857e-02] [3.58736914e-01 4.03959513e-33 9.21724514e-01] [1.41263086e-01 5.00000000e-01 7.82754857e-02] [8.58736914e-01 5.00000000e-01 9.21724514e-01] [8.78546299e-01 2.59688258e-33 5.94707031e-01] [1.21453701e-01 6.20366395e-33 4.05292969e-01] [3.78546299e-01 5.00000000e-01 5.94707031e-01] [6.21453701e-01 5.00000000e-01 4.05292969e-01] [9.64774253e-01 4.40027326e-33 2.14410574e-01] [3.52257472e-02 9.52190280e-33 7.85589426e-01] [4.64774253e-01 5.00000000e-01 2.14410574e-01] [5.35225747e-01 5.00000000e-01 7.85589426e-01] [5.15026523e-01 9.26942811e-33 1.03516035e-01] [4.84973477e-01 4.32813764e-33 8.96483965e-01] [1.50265226e-02 5.00000000e-01 1.03516035e-01] [9.84973477e-01 5.00000000e-01 8.96483965e-01] [5.56916862e-01 5.91512144e-33 4.55519663e-01] [4.43083138e-01 3.17396760e-33 5.44480337e-01] [5.69168619e-02 5.00000000e-01 4.55519663e-01] [9.43083138e-01 5.00000000e-01 5.44480337e-01] [9.91099915e-01 0.00000000e+00 4.08864343e-01] [8.90008472e-03 1.73125506e-33 5.91135657e-01] [4.91099915e-01 5.00000000e-01 4.08864343e-01] [5.08900085e-01 5.00000000e-01 5.91135657e-01] [7.85943099e-01 7.79064775e-33 4.74024928e-01] [2.14056901e-01 8.36773277e-33 5.25975072e-01] [2.85943099e-01 5.00000000e-01 4.74024928e-01] [7.14056901e-01 5.00000000e-01 5.25975072e-01] [6.96647293e-01 1.61583805e-32 8.52284254e-01] [3.03352707e-01 7.28569836e-33 1.47715746e-01] [1.96647293e-01 5.00000000e-01 8.52284254e-01] [8.03352707e-01 5.00000000e-01 1.47715746e-01] [1.15211399e-16 0.00000000e+00 1.00000000e+00] [5.00000000e-01 5.00000000e-01 1.00000000e+00] [2.50000000e-01 2.50000000e-01 1.00000000e+00] [7.50000000e-01 2.50000000e-01 1.00000000e+00] [7.50000000e-01 7.50000000e-01 1.00000000e+00] [2.50000000e-01 7.50000000e-01 1.00000000e+00] [9.22620152e-01 7.21356273e-33 9.05788075e-01] [7.73798481e-02 2.45261133e-33 9.42119249e-02] [4.22620152e-01 5.00000000e-01 9.05788075e-01] [5.77379848e-01 5.00000000e-01 9.42119249e-02] [5.19413450e-01 5.77085018e-34 6.78271852e-01] [4.80586550e-01 1.32729554e-32 3.21728148e-01] [1.94134499e-02 5.00000000e-01 6.78271852e-01] [9.80586550e-01 5.00000000e-01 3.21728148e-01] [6.69520664e-01 9.23336029e-33 4.64924371e-01] [3.30479336e-01 0.00000000e+00 5.35075629e-01] [1.69520664e-01 5.00000000e-01 4.64924371e-01] [8.30479336e-01 5.00000000e-01 5.35075629e-01] [6.48779691e-01 6.92502022e-33 2.90137088e-01] [3.51220309e-01 1.44271255e-32 7.09862912e-01] [1.48779691e-01 5.00000000e-01 2.90137088e-01] [8.51220309e-01 5.00000000e-01 7.09862912e-01] [5.97796536e-01 1.44271255e-33 7.68628141e-01] [4.02203464e-01 1.65911943e-33 2.31371859e-01] [9.77965362e-02 5.00000000e-01 7.68628141e-01] [9.02203464e-01 5.00000000e-01 2.31371859e-01] [6.88840654e-01 1.38500404e-32 6.39876540e-01] [3.11159346e-01 7.79064775e-33 3.60123460e-01] [1.88840654e-01 5.00000000e-01 6.39876540e-01] [8.11159346e-01 5.00000000e-01 3.60123460e-01] [7.40249207e-01 4.61668015e-33 1.62922768e-01] [2.59750793e-01 8.36773277e-33 8.37077232e-01] [2.40249207e-01 5.00000000e-01 1.62922768e-01] [7.59750793e-01 5.00000000e-01 8.37077232e-01] [8.31448956e-01 1.35614979e-32 3.43775408e-02] [1.68551044e-01 4.03959513e-33 9.65622459e-01] [3.31448956e-01 5.00000000e-01 3.43775408e-02] [6.68551044e-01 5.00000000e-01 9.65622459e-01] [9.31307404e-01 7.51216262e-01 7.45301412e-01] [6.86925963e-02 7.51216262e-01 2.54698588e-01] [4.31307404e-01 2.51216262e-01 7.45301412e-01] [5.68692596e-01 2.51216262e-01 2.54698588e-01] [6.86925963e-02 2.48783738e-01 2.54698588e-01] [9.31307404e-01 2.48783738e-01 7.45301412e-01] [5.68692596e-01 7.48783738e-01 2.54698588e-01] [4.31307404e-01 7.48783738e-01 7.45301412e-01] [7.68745901e-01 7.53813009e-01 6.75038871e-01] [2.31254099e-01 7.53813009e-01 3.24961129e-01] [2.68745901e-01 2.53813009e-01 6.75038871e-01] [7.31254099e-01 2.53813009e-01 3.24961129e-01] [2.31254099e-01 2.46186991e-01 3.24961129e-01] [7.68745901e-01 2.46186991e-01 6.75038871e-01] [7.31254099e-01 7.46186991e-01 3.24961129e-01] [2.68745901e-01 7.46186991e-01 6.75038871e-01] [8.92496195e-01 7.57053628e-01 3.95214996e-01] [1.07503805e-01 7.57053628e-01 6.04785004e-01] [3.92496195e-01 2.57053628e-01 3.95214996e-01] [6.07503805e-01 2.57053628e-01 6.04785004e-01] [1.07503805e-01 2.42946372e-01 6.04785004e-01] [8.92496195e-01 2.42946372e-01 3.95214996e-01] [6.07503805e-01 7.42946372e-01 6.04785004e-01] [3.92496195e-01 7.42946372e-01 3.95214996e-01] [9.11979449e-01 7.46241886e-01 7.07201307e-02] [8.80205507e-02 7.46241886e-01 9.29279869e-01] [4.11979449e-01 2.46241886e-01 7.07201307e-02] [5.88020551e-01 2.46241886e-01 9.29279869e-01] [8.80205507e-02 2.53758114e-01 9.29279869e-01] [9.11979449e-01 2.53758114e-01 7.07201307e-02] [5.88020551e-01 7.53758114e-01 9.29279869e-01] [4.11979449e-01 7.53758114e-01 7.07201307e-02]] cellpar = Cell([[26.35523505910052, 2.3525403127544023e-17, 0.16863300184738003], [4.79719579631721e-18, 5.339746853757437, 5.645176780628362e-18], [3.2218008889185707, 1.7835729999967218e-17, 14.11979092995925]]) forces = [[ 3.29779559e-09 -7.74794222e-28 -3.48345952e-09] [-3.29779559e-09 7.74794222e-28 3.48345952e-09] [ 3.29779559e-09 -7.74794222e-28 -3.48345952e-09] [-3.29779559e-09 7.74794222e-28 3.48345952e-09] [-4.78774738e-09 1.01803733e-27 4.95660973e-09] [ 4.78774738e-09 -1.01800031e-27 -4.95660973e-09] [-4.78774738e-09 1.01802910e-27 4.95660973e-09] [ 4.78774738e-09 -1.01801676e-27 -4.95660973e-09] [-2.36842158e-09 -3.80675292e-27 -1.61040693e-09] [ 2.36842158e-09 3.80675292e-27 1.61040693e-09] [-2.36842158e-09 -3.80675292e-27 -1.61040693e-09] [ 2.36842158e-09 3.80675292e-27 1.61040693e-09] [ 2.92609036e-09 -1.83223989e-27 -4.16974035e-09] [-2.92609036e-09 1.83227279e-27 4.16974035e-09] [ 2.92609036e-09 -1.83223989e-27 -4.16974035e-09] [-2.92609036e-09 1.83226868e-27 4.16974035e-09] [-5.99299263e-09 -3.72873414e-27 1.48918473e-09] [ 5.99299263e-09 3.72873003e-27 -1.48918473e-09] [-5.99299263e-09 -3.72873003e-27 1.48918473e-09] [ 5.99299263e-09 3.72873003e-27 -1.48918473e-09] [-5.03341393e-09 -6.12926484e-27 -1.57436672e-09] [ 5.03341393e-09 6.12926484e-27 1.57436672e-09] [-5.03341393e-09 -6.12926484e-27 -1.57436672e-09] [ 5.03341393e-09 6.12926484e-27 1.57436672e-09] [-2.79606562e-10 -1.43531147e-27 -1.11929761e-09] [ 2.79606562e-10 1.43531147e-27 1.11929761e-09] [-2.79606562e-10 -1.43531147e-27 -1.11929761e-09] [ 2.79606562e-10 1.43531147e-27 1.11929761e-09] [ 6.65682188e-09 1.98737739e-27 -3.68456542e-09] [-6.65682188e-09 -1.98737739e-27 3.68456542e-09] [ 6.65682188e-09 1.98737739e-27 -3.68456542e-09] [-6.65682188e-09 -1.98737739e-27 3.68456542e-09] [-2.95404956e-09 -2.96013615e-28 2.18723146e-09] [ 2.95404956e-09 2.96009501e-28 -2.18723146e-09] [-2.95404956e-09 -2.96025955e-28 2.18723146e-09] [ 2.95404956e-09 2.96025955e-28 -2.18723146e-09] [ 1.21213331e-09 3.06860331e-27 1.88007952e-09] [-1.21213331e-09 -3.06860331e-27 -1.88007952e-09] [ 1.21213331e-09 3.06860331e-27 1.88007952e-09] [-1.21213331e-09 -3.06860331e-27 -1.88007952e-09] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 6.02052591e-30 -3.68577784e-30 -2.04690708e-30] [ 1.63142602e-30 2.10615877e-30 -1.37984751e-30] [ 1.61710751e-30 -3.15923815e-30 1.40063313e-30] [ 8.22872268e-31 4.73885723e-30 -2.08016407e-30] [ 7.12117463e-09 8.63146462e-27 2.18959167e-09] [-7.12117463e-09 -8.63146462e-27 -2.18959167e-09] [ 7.12117463e-09 8.63146462e-27 2.18959167e-09] [-7.12117463e-09 -8.63146462e-27 -2.18959167e-09] [-3.30750973e-09 -3.42759931e-27 -4.69047528e-10] [ 3.30750973e-09 3.42759931e-27 4.69047528e-10] [-3.30750973e-09 -3.42759931e-27 -4.69047528e-10] [ 3.30750973e-09 3.42758285e-27 4.69047528e-10] [-7.45544466e-10 1.61114564e-28 7.74280338e-10] [ 7.45544466e-10 -1.61114564e-28 -7.74280338e-10] [-7.45544466e-10 1.61081655e-28 7.74280338e-10] [ 7.45544466e-10 -1.61081655e-28 -7.74280338e-10] [-2.34568272e-09 -8.63801225e-27 -6.18269338e-09] [ 2.34568272e-09 8.63802871e-27 6.18269338e-09] [-2.34568272e-09 -8.63801225e-27 -6.18269338e-09] [ 2.34568272e-09 8.63801225e-27 6.18269338e-09] [-9.12064747e-09 -6.92458643e-27 1.08839119e-09] [ 9.12064747e-09 6.92458643e-27 -1.08839119e-09] [-9.12064747e-09 -6.92459671e-27 1.08839119e-09] [ 9.12064747e-09 6.92460288e-27 -1.08839119e-09] [-1.13003013e-09 9.28772440e-27 9.69686758e-09] [ 1.13003013e-09 -9.28779022e-27 -9.69686758e-09] [-1.13003013e-09 9.28770795e-27 9.69686758e-09] [ 1.13003013e-09 -9.28779022e-27 -9.69686758e-09] [ 5.15864202e-09 2.55058708e-27 -1.90296849e-09] [-5.15864202e-09 -2.55058708e-27 1.90296849e-09] [ 5.15864202e-09 2.55058708e-27 -1.90296849e-09] [-5.15864202e-09 -2.55058708e-27 1.90296849e-09] [ 6.30583844e-10 -5.96205219e-27 -6.14549493e-09] [-6.30583844e-10 5.96205219e-27 6.14549493e-09] [ 6.30583844e-10 -5.96205219e-27 -6.14549493e-09] [-6.30583844e-10 5.96205219e-27 6.14549493e-09] [ 2.24321411e-09 -2.89843558e-10 3.59753082e-09] [-2.24321411e-09 -2.89843558e-10 -3.59753082e-09] [ 2.24321411e-09 -2.89843558e-10 3.59753082e-09] [-2.24321411e-09 -2.89843558e-10 -3.59753082e-09] [-2.24321411e-09 2.89843558e-10 -3.59753082e-09] [ 2.24321411e-09 2.89843558e-10 3.59753082e-09] [-2.24321411e-09 2.89843558e-10 -3.59753082e-09] [ 2.24321411e-09 2.89843558e-10 3.59753082e-09] [ 4.06199016e-09 5.49327261e-10 5.38949540e-11] [-4.06199016e-09 5.49327261e-10 -5.38949540e-11] [ 4.06199016e-09 5.49327261e-10 5.38949540e-11] [-4.06199016e-09 5.49327261e-10 -5.38949540e-11] [-4.06199016e-09 -5.49327261e-10 -5.38949540e-11] [ 4.06199016e-09 -5.49327261e-10 5.38949540e-11] [-4.06199016e-09 -5.49327261e-10 -5.38949540e-11] [ 4.06199016e-09 -5.49327261e-10 5.38949540e-11] [ 2.79533586e-09 -1.64610343e-10 -3.15791062e-10] [-2.79533586e-09 -1.64610343e-10 3.15791062e-10] [ 2.79533586e-09 -1.64610343e-10 -3.15791062e-10] [-2.79533586e-09 -1.64610343e-10 3.15791062e-10] [-2.79533586e-09 1.64610343e-10 3.15791062e-10] [ 2.79533586e-09 1.64610343e-10 -3.15791062e-10] [-2.79533586e-09 1.64610343e-10 3.15791062e-10] [ 2.79533586e-09 1.64610343e-10 -3.15791062e-10] [-2.22008308e-09 6.48724297e-10 2.58467144e-09] [ 2.22008308e-09 6.48724297e-10 -2.58467144e-09] [-2.22008308e-09 6.48724297e-10 2.58467144e-09] [ 2.22008308e-09 6.48724297e-10 -2.58467144e-09] [ 2.22008308e-09 -6.48724297e-10 -2.58467144e-09] [-2.22008308e-09 -6.48724297e-10 2.58467144e-09] [ 2.22008308e-09 -6.48724297e-10 -2.58467144e-09] [-2.22008308e-09 -6.48724297e-10 2.58467144e-09]] stress = [ 4.22506052e-12 4.25380423e-12 -1.42905822e-11 -6.15783954e-30 7.38794564e-12 -3.89703460e-30] energy per atom = -1.3590271515328927 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0