4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=31.050712085098542 stress="-3.7758186019528774 0.4147206065118355 0.29406823836610807 0.4147206065118355 -2.9046198405664794 0.20543074955842675 0.29406823836610807 0.20543074955842675 -3.94757223842016" free_energy=31.050712085098542 pbc="T F T" W 0.03848316 0.19178619 0.15463060 8.36509419 -27.13824284 -1.90458813 W 1.79140871 1.61455359 0.09583508 -5.20203618 35.79691751 -2.22594613 W 1.58650132 0.10609294 1.24450855 0.18311983 -30.66808439 5.79708829 W 2.80049453 1.32157598 1.35488418 -3.34617784 22.00940972 -1.66655403