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=-14.626679054810714 stress="-0.03791397440920796 -0.06307044052294976 0.06999547977485883 -0.06307044052294976 -0.27592879759240646 0.10349663354970072 0.06999547977485883 0.10349663354970072 -0.21913817272929" free_energy=-14.626679054810714 pbc="F T T" C 0.29128921 0.23171545 0.18190327 -0.44199767 1.62977061 2.42718136 C 1.32183498 1.71219253 2.92485375 0.70308889 -3.40380557 1.91374657 C 1.62990665 2.78220450 1.78278197 0.15261628 3.58288383 -3.09794282 C 0.06210000 1.68215332 1.38176440 -0.41370749 -1.80884887 -1.24298511