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_001 ==== 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 15:20:52 -122.929377 0.399326 BFGS: 1 15:20:52 -122.976576 0.398235 BFGS: 2 15:20:52 -123.276836 0.431157 BFGS: 3 15:20:52 -123.420719 0.456763 BFGS: 4 15:20:52 -123.474318 0.466512 BFGS: 5 15:20:52 -123.534582 0.468426 BFGS: 6 15:20:52 -123.617775 0.465076 BFGS: 7 15:20:52 -123.709727 0.457713 BFGS: 8 15:20:52 -123.806080 0.447120 BFGS: 9 15:20:52 -123.902605 0.434621 BFGS: 10 15:20:52 -123.994399 0.419861 BFGS: 11 15:20:52 -124.077682 0.397696 BFGS: 12 15:20:52 -124.148346 0.366584 BFGS: 13 15:20:52 -124.205284 0.348665 BFGS: 14 15:20:52 -124.245512 0.371832 BFGS: 15 15:20:52 -124.302805 0.356897 BFGS: 16 15:20:52 -124.343969 0.342550 BFGS: 17 15:20:52 -124.383916 0.319591 BFGS: 18 15:20:52 -124.422894 0.413118 BFGS: 19 15:20:52 -124.480118 0.328288 BFGS: 20 15:20:52 -124.503356 0.342765 BFGS: 21 15:20:52 -124.514435 0.598222 BFGS: 22 15:20:52 -124.537997 0.331579 BFGS: 23 15:20:52 -124.558040 0.318440 BFGS: 24 15:20:52 -124.578758 0.305232 BFGS: 25 15:20:52 -124.598647 0.291334 BFGS: 26 15:20:52 -124.617764 0.277299 BFGS: 27 15:20:52 -124.635797 0.262240 BFGS: 28 15:20:52 -124.652643 0.246741 BFGS: 29 15:20:53 -124.668077 0.231135 BFGS: 30 15:20:53 -124.682030 0.215577 BFGS: 31 15:20:53 -124.694556 0.200100 BFGS: 32 15:20:53 -124.705764 0.184728 BFGS: 33 15:20:53 -124.715780 0.169501 BFGS: 34 15:20:53 -124.724749 0.154475 BFGS: 35 15:20:53 -124.732834 0.139724 BFGS: 36 15:20:53 -124.740225 0.125350 BFGS: 37 15:20:53 -124.747145 0.111490 BFGS: 38 15:20:53 -124.753875 0.098331 BFGS: 39 15:20:53 -124.760806 0.099653 BFGS: 40 15:20:53 -124.768610 0.108372 BFGS: 41 15:20:53 -124.776081 0.113015 BFGS: 42 15:20:53 -124.783394 0.108623 BFGS: 43 15:20:53 -124.790049 0.103051 BFGS: 44 15:20:53 -124.794540 0.121087 BFGS: 45 15:20:53 -124.799404 0.135282 BFGS: 46 15:20:53 -124.806616 0.207590 BFGS: 47 15:20:53 -124.812972 0.237961 BFGS: 48 15:20:53 -124.818843 0.236337 BFGS: 49 15:20:53 -124.824243 0.299795 BFGS: 50 15:20:53 -124.829508 0.252136 BFGS: 51 15:20:53 -124.834298 0.267026 BFGS: 52 15:20:53 -124.839197 0.199089 BFGS: 53 15:20:53 -124.843871 0.218980 BFGS: 54 15:20:53 -124.848793 0.148475 BFGS: 55 15:20:53 -124.853635 0.148457 BFGS: 56 15:20:53 -124.858677 0.116093 BFGS: 57 15:20:53 -124.863678 0.120570 BFGS: 58 15:20:53 -124.868736 0.122012 BFGS: 59 15:20:53 -124.873681 0.126952 BFGS: 60 15:20:53 -124.878680 0.131810 BFGS: 61 15:20:53 -124.883739 0.136425 BFGS: 62 15:20:53 -124.888872 0.140697 BFGS: 63 15:20:53 -124.894107 0.144599 BFGS: 64 15:20:53 -124.899488 0.148281 BFGS: 65 15:20:53 -124.905104 0.152074 BFGS: 66 15:20:53 -124.911191 0.156005 BFGS: 67 15:20:53 -124.918233 0.159817 BFGS: 68 15:20:53 -124.926926 0.162843 BFGS: 69 15:20:53 -124.937485 0.164146 BFGS: 70 15:20:53 -124.948762 0.163671 BFGS: 71 15:20:53 -124.959618 0.162215 BFGS: 72 15:20:53 -124.969794 0.160327 BFGS: 73 15:20:53 -124.979409 0.158216 BFGS: 74 15:20:53 -124.988621 0.155829 BFGS: 75 15:20:53 -124.997513 0.152800 BFGS: 76 15:20:53 -125.006045 0.148910 BFGS: 77 15:20:53 -125.014166 0.144465 BFGS: 78 15:20:53 -125.021653 0.139935 BFGS: 79 15:20:53 -125.028766 0.135472 BFGS: 80 15:20:53 -125.035678 0.131211 BFGS: 81 15:20:53 -125.042511 0.127200 BFGS: 82 15:20:53 -125.049345 0.123430 BFGS: 83 15:20:53 -125.056229 0.121257 BFGS: 84 15:20:53 -125.063191 0.120509 BFGS: 85 15:20:53 -125.070242 0.119681 BFGS: 86 15:20:54 -125.077386 0.120692 BFGS: 87 15:20:54 -125.084622 0.125092 BFGS: 88 15:20:54 -125.091947 0.128856 BFGS: 89 15:20:54 -125.099357 0.132069 BFGS: 90 15:20:54 -125.106847 0.134803 BFGS: 91 15:20:54 -125.114412 0.137118 BFGS: 92 15:20:54 -125.122049 0.139066 BFGS: 93 15:20:54 -125.129754 0.140686 BFGS: 94 15:20:54 -125.137523 0.142012 BFGS: 95 15:20:54 -125.145353 0.143069 BFGS: 96 15:20:54 -125.153240 0.143881 BFGS: 97 15:20:54 -125.161181 0.144464 BFGS: 98 15:20:54 -125.169173 0.144831 BFGS: 99 15:20:54 -125.177212 0.144996 BFGS: 100 15:20:54 -125.185295 0.144966 BFGS: 101 15:20:54 -125.193418 0.144750 BFGS: 102 15:20:54 -125.201578 0.147980 BFGS: 103 15:20:54 -125.209770 0.151178 BFGS: 104 15:20:54 -125.217990 0.154253 BFGS: 105 15:20:54 -125.226235 0.157201 BFGS: 106 15:20:54 -125.234499 0.160014 BFGS: 107 15:20:54 -125.242778 0.162688 BFGS: 108 15:20:54 -125.251068 0.165216 BFGS: 109 15:20:54 -125.259363 0.167593 BFGS: 110 15:20:54 -125.267659 0.169813 BFGS: 111 15:20:54 -125.275950 0.171871 BFGS: 112 15:20:54 -125.284231 0.173762 BFGS: 113 15:20:54 -125.292496 0.175480 BFGS: 114 15:20:54 -125.300741 0.177020 BFGS: 115 15:20:54 -125.308959 0.178378 BFGS: 116 15:20:54 -125.317147 0.179381 BFGS: 117 15:20:54 -125.325246 0.179414 BFGS: 118 15:20:54 -125.332991 0.178019 BFGS: 119 15:20:54 -125.340297 0.174678 BFGS: 120 15:20:54 -125.350300 0.169537 BFGS: 121 15:20:54 -125.380914 0.283421 BFGS: 122 15:20:54 -125.414745 0.282735 BFGS: 123 15:20:54 -125.436989 0.246208 BFGS: 124 15:20:54 -125.447885 0.237342 BFGS: 125 15:20:54 -125.460388 0.226318 BFGS: 126 15:20:54 -125.473275 0.214673 BFGS: 127 15:20:54 -125.484815 0.204006 BFGS: 128 15:20:54 -125.495297 0.194158 BFGS: 129 15:20:54 -125.504979 0.184922 BFGS: 130 15:20:54 -125.514013 0.176152 BFGS: 131 15:20:55 -125.522493 0.167740 BFGS: 132 15:20:55 -125.530477 0.159601 BFGS: 133 15:20:55 -125.538006 0.151667 BFGS: 134 15:20:55 -125.545109 0.147446 BFGS: 135 15:20:55 -125.551809 0.143801 BFGS: 136 15:20:55 -125.558124 0.139872 BFGS: 137 15:20:55 -125.564071 0.135706 BFGS: 138 15:20:55 -125.569664 0.131342 BFGS: 139 15:20:55 -125.574920 0.126811 BFGS: 140 15:20:55 -125.579854 0.122141 BFGS: 141 15:20:55 -125.584485 0.117356 BFGS: 142 15:20:55 -125.588829 0.112477 BFGS: 143 15:20:55 -125.592908 0.111172 BFGS: 144 15:20:55 -125.596743 0.110999 BFGS: 145 15:20:55 -125.600358 0.110727 BFGS: 146 15:20:55 -125.603782 0.110363 BFGS: 147 15:20:55 -125.607043 0.109907 BFGS: 148 15:20:55 -125.610178 0.109357 BFGS: 149 15:20:55 -125.613225 0.108710 BFGS: 150 15:20:55 -125.616228 0.107957 BFGS: 151 15:20:55 -125.619235 0.107085 BFGS: 152 15:20:55 -125.622305 0.106076 BFGS: 153 15:20:55 -125.625500 0.104902 BFGS: 154 15:20:55 -125.628896 0.103525 BFGS: 155 15:20:55 -125.632584 0.101887 BFGS: 156 15:20:55 -125.636678 0.099897 BFGS: 157 15:20:55 -125.641343 0.097399 BFGS: 158 15:20:55 -125.646846 0.094073 BFGS: 159 15:20:55 -125.638945 0.521743 BFGS: 160 15:20:55 -125.653910 0.125970 BFGS: 161 15:20:55 -125.657956 0.089584 BFGS: 162 15:20:55 -125.675479 0.151440 BFGS: 163 15:20:55 -125.695049 0.121631 BFGS: 164 15:20:55 -125.700699 0.106347 BFGS: 165 15:20:55 -125.704236 0.091149 BFGS: 166 15:20:55 -125.706959 0.090710 BFGS: 167 15:20:55 -125.709627 0.086327 BFGS: 168 15:20:55 -125.712375 0.082649 BFGS: 169 15:20:55 -125.715220 0.079401 BFGS: 170 15:20:55 -125.718189 0.082257 BFGS: 171 15:20:55 -125.721306 0.076324 BFGS: 172 15:20:55 -125.723817 0.077540 BFGS: 173 15:20:55 -125.726631 0.082621 BFGS: 174 15:20:55 -125.729343 0.088440 BFGS: 175 15:20:55 -125.732030 0.091741 BFGS: 176 15:20:55 -125.735620 0.091502 BFGS: 177 15:20:55 -125.738484 0.087137 BFGS: 178 15:20:56 -125.740921 0.081117 BFGS: 179 15:20:56 -125.743230 0.074254 BFGS: 180 15:20:56 -125.745545 0.076914 BFGS: 181 15:20:56 -125.747958 0.080623 BFGS: 182 15:20:56 -125.750529 0.079427 BFGS: 183 15:20:56 -125.753273 0.072798 BFGS: 184 15:20:56 -125.756165 0.078206 BFGS: 185 15:20:56 -125.759158 0.082801 BFGS: 186 15:20:56 -125.762219 0.086328 BFGS: 187 15:20:56 -125.765365 0.088092 BFGS: 188 15:20:56 -125.768660 0.087087 BFGS: 189 15:20:56 -125.772162 0.114480 BFGS: 190 15:20:56 -125.775846 0.131246 BFGS: 191 15:20:56 -125.779404 0.126777 BFGS: 192 15:20:56 -125.781816 0.099022 BFGS: 193 15:20:56 -125.784113 0.068324 BFGS: 194 15:20:56 -125.787036 0.070014 BFGS: 195 15:20:56 -125.790172 0.067031 BFGS: 196 15:20:56 -125.793628 0.077051 BFGS: 197 15:20:56 -125.796261 0.088134 BFGS: 198 15:20:56 -125.798788 0.091209 BFGS: 199 15:20:56 -125.801347 0.089725 BFGS: 200 15:20:56 -125.803972 0.084820 BFGS: 201 15:20:56 -125.806665 0.082391 BFGS: 202 15:20:56 -125.809416 0.086515 BFGS: 203 15:20:56 -125.812190 0.089055 BFGS: 204 15:20:56 -125.814903 0.089474 BFGS: 205 15:20:56 -125.817066 0.087139 BFGS: 206 15:20:56 -125.818967 0.081723 BFGS: 207 15:20:56 -125.821182 0.099363 BFGS: 208 15:20:56 -125.823924 0.090764 BFGS: 209 15:20:56 -125.825706 0.064247 BFGS: 210 15:20:56 -125.827352 0.037043 BFGS: 211 15:20:56 -125.828575 0.036096 BFGS: 212 15:20:56 -125.829514 0.039125 BFGS: 213 15:20:56 -125.830216 0.040013 BFGS: 214 15:20:56 -125.830896 0.043168 BFGS: 215 15:20:56 -125.831660 0.046140 BFGS: 216 15:20:56 -125.832627 0.048383 BFGS: 217 15:20:56 -125.833964 0.049021 BFGS: 218 15:20:56 -125.835776 0.045804 BFGS: 219 15:20:56 -125.837072 0.039770 BFGS: 220 15:20:56 -125.838152 0.032598 BFGS: 221 15:20:56 -125.838754 0.028647 BFGS: 222 15:20:56 -125.839342 0.025451 BFGS: 223 15:20:56 -125.839987 0.022593 BFGS: 224 15:20:56 -125.840508 0.020068 BFGS: 225 15:20:56 -125.840771 0.025756 BFGS: 226 15:20:56 -125.840932 0.029392 BFGS: 227 15:20:56 -125.841122 0.029727 BFGS: 228 15:20:56 -125.841375 0.028530 BFGS: 229 15:20:57 -125.841650 0.023985 BFGS: 230 15:20:57 -125.841901 0.020049 BFGS: 231 15:20:57 -125.842144 0.018532 BFGS: 232 15:20:57 -125.842400 0.018098 BFGS: 233 15:20:57 -125.842643 0.016878 BFGS: 234 15:20:57 -125.842853 0.018262 BFGS: 235 15:20:57 -125.843078 0.018204 BFGS: 236 15:20:57 -125.843373 0.017742 BFGS: 237 15:20:57 -125.843690 0.013786 BFGS: 238 15:20:57 -125.843896 0.009475 BFGS: 239 15:20:57 -125.843979 0.008425 BFGS: 240 15:20:57 -125.844022 0.007886 BFGS: 241 15:20:57 -125.844067 0.006274 BFGS: 242 15:20:57 -125.844104 0.006004 BFGS: 243 15:20:57 -125.844125 0.004884 BFGS: 244 15:20:57 -125.844137 0.003945 BFGS: 245 15:20:57 -125.844150 0.004211 BFGS: 246 15:20:57 -125.844164 0.004401 BFGS: 247 15:20:57 -125.844176 0.003921 BFGS: 248 15:20:57 -125.844187 0.003063 BFGS: 249 15:20:57 -125.844197 0.003139 BFGS: 250 15:20:57 -125.844209 0.003700 BFGS: 251 15:20:57 -125.844222 0.004813 BFGS: 252 15:20:57 -125.844231 0.004066 BFGS: 253 15:20:57 -125.844235 0.002289 BFGS: 254 15:20:57 -125.844237 0.001967 BFGS: 255 15:20:57 -125.844238 0.002136 BFGS: 256 15:20:57 -125.844240 0.002280 BFGS: 257 15:20:57 -125.844243 0.002394 BFGS: 258 15:20:57 -125.844248 0.002456 BFGS: 259 15:20:57 -125.844252 0.002452 BFGS: 260 15:20:57 -125.844254 0.002399 BFGS: 261 15:20:57 -125.844255 0.002353 BFGS: 262 15:20:57 -125.844255 0.002320 BFGS: 263 15:20:57 -125.844256 0.002255 BFGS: 264 15:20:57 -125.844258 0.002127 BFGS: 265 15:20:57 -125.844263 0.001865 BFGS: 266 15:20:57 -125.844270 0.001536 BFGS: 267 15:20:57 -125.844276 0.001945 BFGS: 268 15:20:57 -125.844279 0.002527 BFGS: 269 15:20:57 -125.844281 0.002671 BFGS: 270 15:20:57 -125.844283 0.002508 BFGS: 271 15:20:57 -125.844286 0.001865 BFGS: 272 15:20:57 -125.844289 0.000941 BFGS: 273 15:20:57 -125.844290 0.000474 BFGS: 274 15:20:57 -125.844290 0.000372 BFGS: 275 15:20:57 -125.844290 0.000344 BFGS: 276 15:20:57 -125.844290 0.000302 BFGS: 277 15:20:57 -125.844290 0.000209 BFGS: 278 15:20:57 -125.844290 0.000280 BFGS: 279 15:20:57 -125.844291 0.000307 BFGS: 280 15:20:57 -125.844291 0.000208 BFGS: 281 15:20:57 -125.844291 0.000086 BFGS: 282 15:20:57 -125.844291 0.000020 BFGS: 283 15:20:58 -125.844291 0.000003 BFGS: 284 15:20:58 -125.844291 0.000001 BFGS: 285 15:20:58 -125.844291 0.000000 BFGS: 286 15:20:58 -125.844291 0.000000 BFGS: 287 15:20:58 -125.844291 0.000000 BFGS: 288 15:20:58 -125.844291 0.000000 BFGS: 289 15:20:58 -125.844291 0.000000 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