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=6.672546260301779 stress="-2.3959187139833946 0.12839892315205928 0.48016148682304094 0.12839892315205928 -3.8248892924695572 0.2902906468401938 0.48016148682304094 0.2902906468401938 -2.645819697939041" free_energy=6.672546260301779 pbc="T T T" V 2.95297513 2.84681875 2.72157774 -3.68907372 -3.93244594 10.44899640 V 1.54737131 1.53238783 0.24404962 3.44870722 6.66672304 -10.37418936 V 1.36810690 0.12937675 1.25818085 8.31492263 -14.67605787 6.74296550 V 0.09119645 1.29640878 1.71456242 -8.07455613 11.94178077 -6.81777254