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=421.93409715697067 stress="-31.247057316574214 5.678050758632962 -2.3555293156872072 5.678050758632962 -39.23598376495543 -7.153120182928968 -2.3555293156872072 -7.153120182928968 -28.64855971362889" free_energy=421.93409715697067 pbc="F T F" W 0.14982991 2.74795387 0.28095696 -468.32153604 184.58462974 -355.50690495 W 1.32464588 1.76008946 0.28460712 389.58012194 -384.10726362 -406.07421188 W 1.25346517 2.76772449 1.27715687 342.36157548 268.05148798 497.28917571 W 0.11893942 1.26883758 1.33885520 -263.62016138 -68.52885410 264.29194113