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=54.22237011652492 stress="-4.771507681481742 0.08437553433596551 0.003768952859611853 0.08437553433596551 -4.865530071155542 0.0316266760496776 0.003768952859611853 0.0316266760496776 -4.784971111409211" free_energy=54.22237011652492 pbc="T T T" Li 2.93927127 0.17093812 2.96777718 -6.68417974 -5.74115191 7.98756111 Li 1.37633299 1.73720612 0.04213952 8.29630382 1.72290361 4.93490551 Li 1.35313536 0.24257962 1.48785390 9.84177620 -7.89365390 -2.52162662 Li 0.06179810 1.48101872 1.71531963 -11.45390028 11.91190220 -10.40084000