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=56.91983654906673 stress="-1.245885599911904 -0.00496318784466755 0.003860852257498803 -0.00496318784466755 -2.8443115142041893 -0.013414091640539917 0.003860852257498803 -0.013414091640539917 -2.721996670497446" free_energy=56.91983654906673 pbc="F T T" K 0.21219253 -0.07514625 0.26652280 -11.55615608 2.71612827 -2.81753137 K 1.28220450 1.78278197 0.17251877 10.50314411 -3.20033849 -3.48898243 K 1.63362859 -0.17297059 1.33770040 14.24055925 2.29490085 2.94061690 K 0.04852473 1.55473499 1.25094513 -13.18754728 -1.81069063 3.36589690