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=6.505826502352818 stress="-2.3881906506791446 0.08342240949563254 0.18306128841202013 0.08342240949563254 -2.6662023480266854 -0.013661224384149566 0.18306128841202013 -0.013661224384149566 -2.7275036201059586" free_energy=6.505826502352818 pbc="T T T" V 0.27559981 2.71321713 0.21736445 -11.87604147 9.36960618 6.84674840 V 1.28604778 1.70384132 2.79224623 11.36256695 -12.50055596 4.70569777 V 1.23214964 0.00041025 1.75551247 7.41893850 8.89500112 -7.72044288 V 2.85444624 1.49188881 1.56482696 -6.90546398 -5.76405134 -3.83200329