32 Lattice="90.48057556152344 0.0 0.0 0.0 90.48057556152344 0.0 0.0 0.0 90.48057556152344" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15.517015997043114 stress="-3.2592517119457412e-06 -3.8628342513724054e-07 2.040903208298651e-06 -3.8628342513724054e-07 -3.8466839175596185e-06 -1.5170791362805178e-06 2.040903208298651e-06 -1.5170791362805178e-06 -3.045010422400209e-06" free_energy=-15.517015997043114 pbc="F F F" K 45.40670350 45.33186391 45.31274538 -0.20243742 -0.25264073 -0.03270370 K 48.25729981 48.33998846 45.09534960 0.37596010 0.30623554 0.05324712 K 48.45677530 45.29880962 48.55954608 -0.16928152 -0.19396549 -0.22091177 K 44.99563103 48.69480055 48.23210080 0.09328298 -0.09763472 0.21430456 K 51.53618733 45.10264707 45.38356450 0.12044080 0.04438207 0.02238280 K 55.05591433 48.59336008 45.20516513 -0.11805844 -0.14167703 0.11539144 K 55.14061701 45.06707287 48.70217717 -0.08038618 0.05919344 -0.16449909 K 51.47828947 48.29853271 48.59720238 0.35056149 0.40520970 -0.31979546 K 45.37517188 51.78973247 45.11456106 -0.15504551 0.07898879 -0.16922051 K 48.65512575 54.94217912 45.12662172 -0.07032513 0.15068330 -0.07082625 K 48.26996748 51.94767540 48.24964357 0.28928504 -0.39083253 0.31676730 K 45.10015677 54.86280228 48.66838815 -0.06888438 0.10580363 -0.14636729 K 51.86854696 51.87402387 45.30575100 -0.27098100 -0.52744800 -0.15898267 K 54.69041560 55.05366105 45.08552487 0.18030603 0.18577210 -0.16394231 K 55.13270720 51.93833949 48.25471074 0.06071882 -0.24378203 0.23384636 K 51.81881131 54.80547259 48.27395985 -0.20268253 0.31720348 0.39416371 K 45.42771573 45.21150459 51.56992129 -0.27644463 -0.12229999 -0.05538079 K 48.43510753 48.25396927 51.66507308 0.09455322 0.58129804 -0.23000621 K 48.54647798 45.42248704 54.74590926 0.17952533 -0.30625035 0.23790523 K 45.43715961 48.27442406 54.78785954 -0.35627682 0.14623549 0.15157092 K 51.62003890 45.07474445 51.49871674 0.13303388 -0.11723664 0.19724679 K 54.85762884 48.31341444 51.71696456 0.08073740 0.12546336 -0.21284502 K 54.87930764 45.23410552 55.02528547 0.06154937 -0.12469872 -0.04403389 K 51.93529016 48.33649267 54.89547366 -0.30585229 0.15209799 -0.02331476 K 45.03087530 51.63648217 51.65994335 0.06302219 -0.15977069 0.01355327 K 48.31093412 54.83273811 51.79847205 0.30663083 0.03150318 -0.13764953 K 48.46153345 51.39483861 54.75726296 0.23386081 0.09956389 0.05722337 K 45.41076688 54.65444388 54.92314047 -0.15495738 0.05597654 0.15545456 K 51.76173993 51.76592915 51.49703818 -0.03326989 -0.05993406 0.12241754 K 55.05013587 55.10660073 51.59086724 -0.05517026 -0.07195903 0.04376902 K 55.05358657 51.50690862 54.83490670 -0.01965475 0.15501271 -0.03066266 K 51.90483799 55.14819893 55.09102804 -0.08376013 -0.19049325 -0.14810209