element(s): ['Na', 'Sn'] AFLOW prototype label: AB2_mC48_12_g3i_2i3j Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.8061', '0.51174481', '1.3333237', '124.1929', '0.74991326', '0.18211611', '0.9099689', '0.32506304', '0.41481957', '0.81739714', '0.43373013', '0.77159483', '0.88735471', '0.56125597', '0.88814945', '0.70222869', '0.28516558', '0.74748844', '0.41933778', '0.71741404', '0.74779663', '0.45172497', '0.21682719', '0.60291718'] model name: MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Na', 'Na', 'Na', 'Na', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] representative atom coordinates = [[0. 0.74991326 0. ] [0.18211611 0. 0.9099689 ] [0.32506304 0. 0.41481957] [0.81739714 0. 0.43373013] [0.77159483 0. 0.88735471] [0.56125597 0. 0.88814945] [0.70222869 0.28516558 0.74748844] [0.41933778 0.71741404 0.74779663] [0.45172497 0.21682719 0.60291718]] spacegroup = 12 cell = [[13.8061, 0, 0], [0, 7.0652, 0], [-10.344944095267, 0, 15.226181256829]] ========================================= Step Time Energy fmax BFGS: 0 13:29:54 -122.929377 0.3993 BFGS: 1 13:29:54 -122.976576 0.3982 BFGS: 2 13:29:54 -123.276836 0.4312 BFGS: 3 13:29:54 -123.420719 0.4568 BFGS: 4 13:29:54 -123.474318 0.4665 BFGS: 5 13:29:54 -123.534582 0.4684 BFGS: 6 13:29:54 -123.617775 0.4651 BFGS: 7 13:29:54 -123.709727 0.4577 BFGS: 8 13:29:54 -123.806080 0.4471 BFGS: 9 13:29:54 -123.902605 0.4346 BFGS: 10 13:29:54 -123.994399 0.4199 BFGS: 11 13:29:54 -124.077682 0.3977 BFGS: 12 13:29:54 -124.148346 0.3666 BFGS: 13 13:29:54 -124.205284 0.3487 BFGS: 14 13:29:54 -124.245512 0.3718 BFGS: 15 13:29:54 -124.302805 0.3569 BFGS: 16 13:29:54 -124.343969 0.3426 BFGS: 17 13:29:54 -124.383916 0.3196 BFGS: 18 13:29:54 -124.422894 0.4131 BFGS: 19 13:29:54 -124.480118 0.3283 BFGS: 20 13:29:55 -124.503356 0.3428 BFGS: 21 13:29:55 -124.514435 0.5982 BFGS: 22 13:29:55 -124.537997 0.3316 BFGS: 23 13:29:55 -124.558040 0.3184 BFGS: 24 13:29:55 -124.578758 0.3052 BFGS: 25 13:29:55 -124.598647 0.2913 BFGS: 26 13:29:55 -124.617764 0.2773 BFGS: 27 13:29:55 -124.635797 0.2622 BFGS: 28 13:29:55 -124.652643 0.2467 BFGS: 29 13:29:55 -124.668077 0.2311 BFGS: 30 13:29:55 -124.682030 0.2156 BFGS: 31 13:29:55 -124.694556 0.2001 BFGS: 32 13:29:55 -124.705764 0.1847 BFGS: 33 13:29:55 -124.715780 0.1695 BFGS: 34 13:29:55 -124.724749 0.1545 BFGS: 35 13:29:55 -124.732834 0.1397 BFGS: 36 13:29:55 -124.740225 0.1254 BFGS: 37 13:29:55 -124.747145 0.1115 BFGS: 38 13:29:55 -124.753875 0.0983 BFGS: 39 13:29:55 -124.760806 0.0997 BFGS: 40 13:29:55 -124.768610 0.1084 BFGS: 41 13:29:55 -124.776081 0.1130 BFGS: 42 13:29:55 -124.783394 0.1086 BFGS: 43 13:29:55 -124.790049 0.1031 BFGS: 44 13:29:55 -124.794540 0.1211 BFGS: 45 13:29:55 -124.799404 0.1353 BFGS: 46 13:29:55 -124.806616 0.2076 BFGS: 47 13:29:55 -124.812972 0.2380 BFGS: 48 13:29:55 -124.818843 0.2363 BFGS: 49 13:29:55 -124.824243 0.2998 BFGS: 50 13:29:55 -124.829508 0.2521 BFGS: 51 13:29:55 -124.834298 0.2670 BFGS: 52 13:29:55 -124.839197 0.1991 BFGS: 53 13:29:55 -124.843871 0.2190 BFGS: 54 13:29:55 -124.848793 0.1485 BFGS: 55 13:29:55 -124.853635 0.1485 BFGS: 56 13:29:56 -124.858677 0.1161 BFGS: 57 13:29:56 -124.863678 0.1206 BFGS: 58 13:29:56 -124.868736 0.1220 BFGS: 59 13:29:56 -124.873681 0.1270 BFGS: 60 13:29:56 -124.878680 0.1318 BFGS: 61 13:29:56 -124.883739 0.1364 BFGS: 62 13:29:56 -124.888872 0.1407 BFGS: 63 13:29:56 -124.894107 0.1446 BFGS: 64 13:29:56 -124.899488 0.1483 BFGS: 65 13:29:56 -124.905104 0.1521 BFGS: 66 13:29:56 -124.911191 0.1560 BFGS: 67 13:29:56 -124.918233 0.1598 BFGS: 68 13:29:56 -124.926926 0.1628 BFGS: 69 13:29:56 -124.937485 0.1641 BFGS: 70 13:29:56 -124.948762 0.1637 BFGS: 71 13:29:56 -124.959618 0.1622 BFGS: 72 13:29:56 -124.969794 0.1603 BFGS: 73 13:29:56 -124.979409 0.1582 BFGS: 74 13:29:56 -124.988621 0.1558 BFGS: 75 13:29:56 -124.997513 0.1528 BFGS: 76 13:29:56 -125.006045 0.1489 BFGS: 77 13:29:56 -125.014166 0.1445 BFGS: 78 13:29:56 -125.021653 0.1399 BFGS: 79 13:29:56 -125.028766 0.1355 BFGS: 80 13:29:56 -125.035678 0.1312 BFGS: 81 13:29:56 -125.042511 0.1272 BFGS: 82 13:29:56 -125.049345 0.1234 BFGS: 83 13:29:56 -125.056229 0.1213 BFGS: 84 13:29:56 -125.063191 0.1205 BFGS: 85 13:29:56 -125.070242 0.1197 BFGS: 86 13:29:56 -125.077386 0.1207 BFGS: 87 13:29:56 -125.084622 0.1251 BFGS: 88 13:29:56 -125.091947 0.1289 BFGS: 89 13:29:56 -125.099357 0.1321 BFGS: 90 13:29:56 -125.106847 0.1348 BFGS: 91 13:29:56 -125.114412 0.1371 BFGS: 92 13:29:56 -125.122049 0.1391 BFGS: 93 13:29:56 -125.129754 0.1407 BFGS: 94 13:29:56 -125.137523 0.1420 BFGS: 95 13:29:56 -125.145353 0.1431 BFGS: 96 13:29:56 -125.153240 0.1439 BFGS: 97 13:29:56 -125.161181 0.1445 BFGS: 98 13:29:56 -125.169173 0.1448 BFGS: 99 13:29:56 -125.177212 0.1450 BFGS: 100 13:29:56 -125.185295 0.1450 BFGS: 101 13:29:56 -125.193418 0.1447 BFGS: 102 13:29:56 -125.201578 0.1480 BFGS: 103 13:29:56 -125.209770 0.1512 BFGS: 104 13:29:57 -125.217990 0.1543 BFGS: 105 13:29:57 -125.226235 0.1572 BFGS: 106 13:29:57 -125.234499 0.1600 BFGS: 107 13:29:57 -125.242778 0.1627 BFGS: 108 13:29:57 -125.251068 0.1652 BFGS: 109 13:29:57 -125.259363 0.1676 BFGS: 110 13:29:57 -125.267659 0.1698 BFGS: 111 13:29:57 -125.275950 0.1719 BFGS: 112 13:29:57 -125.284231 0.1738 BFGS: 113 13:29:57 -125.292496 0.1755 BFGS: 114 13:29:57 -125.300741 0.1770 BFGS: 115 13:29:57 -125.308959 0.1784 BFGS: 116 13:29:57 -125.317147 0.1794 BFGS: 117 13:29:57 -125.325246 0.1794 BFGS: 118 13:29:57 -125.332991 0.1780 BFGS: 119 13:29:57 -125.340297 0.1747 BFGS: 120 13:29:57 -125.350300 0.1695 BFGS: 121 13:29:57 -125.380914 0.2834 BFGS: 122 13:29:57 -125.414745 0.2827 BFGS: 123 13:29:57 -125.436989 0.2462 BFGS: 124 13:29:57 -125.447885 0.2373 BFGS: 125 13:29:57 -125.460388 0.2263 BFGS: 126 13:29:57 -125.473275 0.2147 BFGS: 127 13:29:57 -125.484815 0.2040 BFGS: 128 13:29:57 -125.495297 0.1942 BFGS: 129 13:29:57 -125.504979 0.1849 BFGS: 130 13:29:57 -125.514013 0.1762 BFGS: 131 13:29:57 -125.522493 0.1677 BFGS: 132 13:29:57 -125.530477 0.1596 BFGS: 133 13:29:58 -125.538006 0.1517 BFGS: 134 13:29:58 -125.545109 0.1474 BFGS: 135 13:29:58 -125.551809 0.1438 BFGS: 136 13:29:58 -125.558124 0.1399 BFGS: 137 13:29:58 -125.564071 0.1357 BFGS: 138 13:29:58 -125.569664 0.1313 BFGS: 139 13:29:58 -125.574920 0.1268 BFGS: 140 13:29:58 -125.579854 0.1221 BFGS: 141 13:29:58 -125.584485 0.1174 BFGS: 142 13:29:58 -125.588829 0.1125 BFGS: 143 13:29:58 -125.592908 0.1112 BFGS: 144 13:29:58 -125.596743 0.1110 BFGS: 145 13:29:58 -125.600358 0.1107 BFGS: 146 13:29:58 -125.603782 0.1104 BFGS: 147 13:29:58 -125.607043 0.1099 BFGS: 148 13:29:58 -125.610178 0.1094 BFGS: 149 13:29:58 -125.613225 0.1087 BFGS: 150 13:29:58 -125.616228 0.1080 BFGS: 151 13:29:58 -125.619235 0.1071 BFGS: 152 13:29:58 -125.622305 0.1061 BFGS: 153 13:29:58 -125.625500 0.1049 BFGS: 154 13:29:58 -125.628896 0.1035 BFGS: 155 13:29:58 -125.632584 0.1019 BFGS: 156 13:29:59 -125.636678 0.0999 BFGS: 157 13:29:59 -125.641343 0.0974 BFGS: 158 13:29:59 -125.646846 0.0941 BFGS: 159 13:29:59 -125.638945 0.5217 BFGS: 160 13:29:59 -125.653910 0.1260 BFGS: 161 13:29:59 -125.657956 0.0896 BFGS: 162 13:29:59 -125.675479 0.1514 BFGS: 163 13:29:59 -125.695049 0.1216 BFGS: 164 13:29:59 -125.700699 0.1063 BFGS: 165 13:29:59 -125.704236 0.0911 BFGS: 166 13:29:59 -125.706959 0.0907 BFGS: 167 13:29:59 -125.709627 0.0863 BFGS: 168 13:29:59 -125.712375 0.0826 BFGS: 169 13:29:59 -125.715220 0.0794 BFGS: 170 13:29:59 -125.718189 0.0823 BFGS: 171 13:29:59 -125.721306 0.0763 BFGS: 172 13:29:59 -125.723817 0.0775 BFGS: 173 13:29:59 -125.726631 0.0826 BFGS: 174 13:29:59 -125.729343 0.0884 BFGS: 175 13:29:59 -125.732030 0.0917 BFGS: 176 13:29:59 -125.735620 0.0915 BFGS: 177 13:29:59 -125.738484 0.0871 BFGS: 178 13:29:59 -125.740921 0.0811 BFGS: 179 13:30:00 -125.743230 0.0743 BFGS: 180 13:30:00 -125.745545 0.0769 BFGS: 181 13:30:00 -125.747958 0.0806 BFGS: 182 13:30:00 -125.750529 0.0794 BFGS: 183 13:30:00 -125.753273 0.0728 BFGS: 184 13:30:00 -125.756165 0.0782 BFGS: 185 13:30:00 -125.759158 0.0828 BFGS: 186 13:30:00 -125.762219 0.0863 BFGS: 187 13:30:00 -125.765365 0.0881 BFGS: 188 13:30:00 -125.768660 0.0871 BFGS: 189 13:30:00 -125.772162 0.1145 BFGS: 190 13:30:00 -125.775846 0.1312 BFGS: 191 13:30:00 -125.779404 0.1268 BFGS: 192 13:30:00 -125.781816 0.0990 BFGS: 193 13:30:00 -125.784113 0.0683 BFGS: 194 13:30:00 -125.787036 0.0700 BFGS: 195 13:30:00 -125.790172 0.0670 BFGS: 196 13:30:00 -125.793628 0.0771 BFGS: 197 13:30:00 -125.796261 0.0881 BFGS: 198 13:30:00 -125.798788 0.0912 BFGS: 199 13:30:00 -125.801347 0.0897 BFGS: 200 13:30:00 -125.803972 0.0848 BFGS: 201 13:30:00 -125.806665 0.0824 BFGS: 202 13:30:00 -125.809416 0.0865 BFGS: 203 13:30:00 -125.812190 0.0891 BFGS: 204 13:30:00 -125.814903 0.0895 BFGS: 205 13:30:00 -125.817066 0.0871 BFGS: 206 13:30:01 -125.818967 0.0817 BFGS: 207 13:30:01 -125.821182 0.0994 BFGS: 208 13:30:01 -125.823924 0.0908 BFGS: 209 13:30:01 -125.825706 0.0642 BFGS: 210 13:30:01 -125.827352 0.0370 BFGS: 211 13:30:01 -125.828575 0.0361 BFGS: 212 13:30:01 -125.829514 0.0391 BFGS: 213 13:30:01 -125.830216 0.0400 BFGS: 214 13:30:01 -125.830896 0.0432 BFGS: 215 13:30:01 -125.831660 0.0461 BFGS: 216 13:30:01 -125.832627 0.0484 BFGS: 217 13:30:01 -125.833964 0.0490 BFGS: 218 13:30:01 -125.835776 0.0458 BFGS: 219 13:30:01 -125.837072 0.0398 BFGS: 220 13:30:01 -125.838152 0.0326 BFGS: 221 13:30:01 -125.838754 0.0286 BFGS: 222 13:30:01 -125.839342 0.0255 BFGS: 223 13:30:01 -125.839987 0.0226 BFGS: 224 13:30:01 -125.840508 0.0201 BFGS: 225 13:30:01 -125.840771 0.0258 BFGS: 226 13:30:01 -125.840932 0.0294 BFGS: 227 13:30:01 -125.841122 0.0297 BFGS: 228 13:30:01 -125.841375 0.0285 BFGS: 229 13:30:01 -125.841650 0.0240 BFGS: 230 13:30:01 -125.841901 0.0200 BFGS: 231 13:30:01 -125.842144 0.0185 BFGS: 232 13:30:01 -125.842400 0.0181 BFGS: 233 13:30:01 -125.842643 0.0169 BFGS: 234 13:30:01 -125.842853 0.0183 BFGS: 235 13:30:01 -125.843078 0.0182 BFGS: 236 13:30:01 -125.843373 0.0177 BFGS: 237 13:30:01 -125.843690 0.0138 BFGS: 238 13:30:01 -125.843896 0.0095 BFGS: 239 13:30:01 -125.843979 0.0084 BFGS: 240 13:30:01 -125.844022 0.0079 BFGS: 241 13:30:01 -125.844067 0.0063 BFGS: 242 13:30:01 -125.844104 0.0060 BFGS: 243 13:30:01 -125.844125 0.0049 BFGS: 244 13:30:01 -125.844137 0.0039 BFGS: 245 13:30:01 -125.844150 0.0042 BFGS: 246 13:30:01 -125.844164 0.0044 BFGS: 247 13:30:01 -125.844176 0.0039 BFGS: 248 13:30:01 -125.844187 0.0031 BFGS: 249 13:30:01 -125.844197 0.0031 BFGS: 250 13:30:01 -125.844209 0.0037 BFGS: 251 13:30:01 -125.844222 0.0048 BFGS: 252 13:30:02 -125.844231 0.0041 BFGS: 253 13:30:02 -125.844235 0.0023 BFGS: 254 13:30:02 -125.844237 0.0020 BFGS: 255 13:30:02 -125.844238 0.0021 BFGS: 256 13:30:02 -125.844240 0.0023 BFGS: 257 13:30:02 -125.844243 0.0024 BFGS: 258 13:30:02 -125.844248 0.0025 BFGS: 259 13:30:02 -125.844252 0.0025 BFGS: 260 13:30:02 -125.844254 0.0024 BFGS: 261 13:30:02 -125.844255 0.0024 BFGS: 262 13:30:02 -125.844255 0.0023 BFGS: 263 13:30:02 -125.844256 0.0023 BFGS: 264 13:30:02 -125.844258 0.0021 BFGS: 265 13:30:02 -125.844263 0.0019 BFGS: 266 13:30:02 -125.844270 0.0015 BFGS: 267 13:30:02 -125.844276 0.0019 BFGS: 268 13:30:02 -125.844279 0.0025 BFGS: 269 13:30:02 -125.844281 0.0027 BFGS: 270 13:30:02 -125.844283 0.0025 BFGS: 271 13:30:02 -125.844286 0.0019 BFGS: 272 13:30:02 -125.844289 0.0009 BFGS: 273 13:30:02 -125.844290 0.0005 BFGS: 274 13:30:02 -125.844290 0.0004 BFGS: 275 13:30:02 -125.844290 0.0003 BFGS: 276 13:30:02 -125.844290 0.0003 BFGS: 277 13:30:02 -125.844290 0.0002 BFGS: 278 13:30:02 -125.844290 0.0003 BFGS: 279 13:30:02 -125.844291 0.0003 BFGS: 280 13:30:02 -125.844291 0.0002 BFGS: 281 13:30:02 -125.844291 0.0001 BFGS: 282 13:30:02 -125.844291 0.0000 BFGS: 283 13:30:02 -125.844291 0.0000 BFGS: 284 13:30:02 -125.844291 0.0000 BFGS: 285 13:30:03 -125.844291 0.0000 BFGS: 286 13:30:03 -125.844291 0.0000 BFGS: 287 13:30:03 -125.844291 0.0000 BFGS: 288 13:30:03 -125.844291 0.0000 BFGS: 289 13:30:03 -125.844291 0.0000 Minimization converged after 289 steps. Maximum force component: 4.792503107797598e-09 eV/Angstrom Maximum stress component: 4.0865213426640786e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] basis = [[0.00000000e+00 7.50903963e-01 5.33622489e-35] [5.00000000e-01 2.50903963e-01 0.00000000e+00] [0.00000000e+00 2.49096037e-01 0.00000000e+00] [5.00000000e-01 7.49096037e-01 0.00000000e+00] [1.57986872e-01 0.00000000e+00 8.84341562e-01] [8.42013128e-01 0.00000000e+00 1.15658438e-01] [6.57986872e-01 5.00000000e-01 8.84341562e-01] [3.42013128e-01 5.00000000e-01 1.15658438e-01] [3.51183763e-01 0.00000000e+00 3.88556469e-01] [6.48816237e-01 4.81436961e-34 6.11443531e-01] [8.51183763e-01 5.00000000e-01 3.88556469e-01] [1.48816237e-01 5.00000000e-01 6.11443531e-01] [7.85509017e-01 2.53387874e-34 4.17422988e-01] [2.14490983e-01 0.00000000e+00 5.82577012e-01] [2.85509017e-01 5.00000000e-01 4.17422988e-01] [7.14490983e-01 5.00000000e-01 5.82577012e-01] [7.73987425e-01 5.06775748e-35 9.00665685e-01] [2.26012575e-01 2.28049087e-34 9.93343147e-02] [2.73987425e-01 5.00000000e-01 9.00665685e-01] [7.26012575e-01 5.00000000e-01 9.93343147e-02] [5.67805065e-01 0.00000000e+00 9.01236947e-01] [4.32194935e-01 5.73290065e-34 9.87630526e-02] [6.78050652e-02 5.00000000e-01 9.01236947e-01] [9.32194935e-01 5.00000000e-01 9.87630526e-02] [6.98479083e-01 2.96338747e-01 7.53664115e-01] [3.01520917e-01 2.96338747e-01 2.46335885e-01] [1.98479083e-01 7.96338747e-01 7.53664115e-01] [8.01520917e-01 7.96338747e-01 2.46335885e-01] [3.01520917e-01 7.03661253e-01 2.46335885e-01] [6.98479083e-01 7.03661253e-01 7.53664115e-01] [8.01520917e-01 2.03661253e-01 2.46335885e-01] [1.98479083e-01 2.03661253e-01 7.53664115e-01] [4.12101431e-01 7.07400593e-01 7.52214165e-01] [5.87898569e-01 7.07400593e-01 2.47785835e-01] [9.12101431e-01 2.07400593e-01 7.52214165e-01] [8.78985686e-02 2.07400593e-01 2.47785835e-01] [5.87898569e-01 2.92599407e-01 2.47785835e-01] [4.12101431e-01 2.92599407e-01 7.52214165e-01] [8.78985686e-02 7.92599407e-01 2.47785835e-01] [9.12101431e-01 7.92599407e-01 7.52214165e-01] [4.25776795e-01 2.03331668e-01 5.87055153e-01] [5.74223205e-01 2.03331668e-01 4.12944847e-01] [9.25776795e-01 7.03331668e-01 5.87055153e-01] [7.42232052e-02 7.03331668e-01 4.12944847e-01] [5.74223205e-01 7.96668332e-01 4.12944847e-01] [4.25776795e-01 7.96668332e-01 5.87055153e-01] [7.42232052e-02 2.96668332e-01 4.12944847e-01] [9.25776795e-01 2.96668332e-01 5.87055153e-01]] cellpar = Cell([[14.18149888175572, 1.3916966714929266e-18, -0.33602670241417976], [7.97148989917781e-19, 7.600718664426286, -2.902572127742682e-19], [-10.9651836040924, -3.429730512265602e-20, 12.891883579349058]]) forces = [[-8.22926383e-29 -7.84650297e-10 2.99643255e-29] [-8.22926383e-29 -7.84650297e-10 2.99643255e-29] [ 8.22926383e-29 7.84650297e-10 -2.99643255e-29] [ 8.22926383e-29 7.84650297e-10 -2.99643255e-29] [ 2.15571720e-09 1.08726625e-28 -1.29788263e-09] [-2.15571720e-09 -1.08726625e-28 1.29788263e-09] [ 2.15571720e-09 1.08726625e-28 -1.29788263e-09] [-2.15571720e-09 -1.08726625e-28 1.29788263e-09] [-4.15262854e-09 -7.82304617e-29 4.09119402e-09] [ 4.15262854e-09 7.82304617e-29 -4.09119402e-09] [-4.15262854e-09 -7.82304617e-29 4.09119402e-09] [ 4.15262854e-09 7.82304617e-29 -4.09119402e-09] [-4.79250311e-09 -2.81291314e-28 2.40553275e-09] [ 4.79250311e-09 2.81291314e-28 -2.40553275e-09] [-4.79250311e-09 -2.81291314e-28 2.40553275e-09] [ 4.79250311e-09 2.81291314e-28 -2.40553275e-09] [-8.76754558e-10 -8.84183121e-31 1.05334106e-09] [ 8.76754558e-10 8.84183121e-31 -1.05334106e-09] [-8.76754558e-10 -8.84183121e-31 1.05334106e-09] [ 8.76754558e-10 8.84183121e-31 -1.05334106e-09] [ 4.78774102e-10 3.15014606e-28 3.23811864e-09] [-4.78774102e-10 -3.14967763e-28 -3.23811864e-09] [ 4.78774102e-10 3.15014606e-28 3.23811864e-09] [-4.78774102e-10 -3.14920920e-28 -3.23811864e-09] [-1.46802363e-10 5.25326493e-10 -4.45606298e-10] [ 1.46802363e-10 5.25326493e-10 4.45606298e-10] [-1.46802363e-10 5.25326493e-10 -4.45606298e-10] [ 1.46802363e-10 5.25326493e-10 4.45606298e-10] [ 1.46802363e-10 -5.25326493e-10 4.45606298e-10] [-1.46802363e-10 -5.25326493e-10 -4.45606298e-10] [ 1.46802363e-10 -5.25326493e-10 4.45606298e-10] [-1.46802363e-10 -5.25326493e-10 -4.45606298e-10] [-8.69724470e-10 -1.90959454e-09 -1.66936311e-09] [ 8.69724470e-10 -1.90959454e-09 1.66936311e-09] [-8.69724470e-10 -1.90959454e-09 -1.66936311e-09] [ 8.69724470e-10 -1.90959454e-09 1.66936311e-09] [ 8.69724470e-10 1.90959454e-09 1.66936311e-09] [-8.69724470e-10 1.90959454e-09 -1.66936311e-09] [ 8.69724470e-10 1.90959454e-09 1.66936311e-09] [-8.69724470e-10 1.90959454e-09 -1.66936311e-09] [ 9.36571676e-10 -2.22252213e-09 -2.30157827e-10] [-9.36571676e-10 -2.22252213e-09 2.30157827e-10] [ 9.36571676e-10 -2.22252213e-09 -2.30157827e-10] [-9.36571676e-10 -2.22252213e-09 2.30157827e-10] [-9.36571676e-10 2.22252213e-09 2.30157827e-10] [ 9.36571676e-10 2.22252213e-09 -2.30157827e-10] [-9.36571676e-10 2.22252213e-09 2.30157827e-10] [ 9.36571676e-10 2.22252213e-09 -2.30157827e-10]] stress = [ 3.12765672e-11 -3.78789776e-11 -1.74359509e-11 3.36494275e-30 -4.08652134e-11 -5.32633131e-30] energy per atom = -2.6217560580769352 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0