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=57.33776280580066 stress="-2.7922522384400565 0.013499472437927063 -0.01008691870044903 0.013499472437927063 -1.2249624686487393 -0.002127578887608958 -0.01008691870044903 -0.002127578887608958 -2.8545277330954004" free_energy=57.33776280580066 pbc="T F T" K -0.08147842 0.19178619 0.17895518 2.40742874 -12.08656346 -2.81589125 K 1.79140871 1.61455359 0.09583508 -2.86438208 13.88144103 -2.30895741 K 1.64904689 0.10609294 1.40349439 -2.62825755 -12.63017145 2.01355976 K -0.19401975 1.32157598 1.29208456 3.08521089 10.83529388 3.11128890