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=75.47066806808083 stress="-1.236110287441852 0.0013244716542168617 0.002671675023859047 0.0013244716542168617 -3.530737348843141 -0.02091789501263362 0.002671675023859047 -0.02091789501263362 -3.3624503327086512" free_energy=75.47066806808083 pbc="F T T" Cs 0.21219253 -0.07514625 0.26652280 -11.28613023 1.23183839 -2.24725860 Cs 1.28220450 1.78278197 0.17251877 10.18039600 -2.10206909 -2.72164653 Cs 1.63362859 -0.17297059 1.33770040 14.29736300 1.48627933 2.30477574 Cs 0.04852473 1.39006944 1.15709704 -13.19162877 -0.61604863 2.66412940