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=34.40851407700902 stress="-6.301692071964621 0.6113612367616637 0.4378977738556058 0.6113612367616637 -5.522791259529171 -1.1625910345309487 0.4378977738556058 -1.1625910345309487 -6.277475007435713" free_energy=34.40851407700902 pbc="T F T" Ta 2.73387496 0.08501927 0.06603388 27.33220262 -36.77377165 -30.81149027 Ta 1.50693356 1.66501753 0.22580078 2.44702298 35.75057818 -27.04920466 Ta 1.42866320 0.18883157 1.49955875 -16.05812168 -72.43771887 3.77452463 Ta 0.31457858 1.44832183 1.75980354 -13.72110392 73.46091235 54.08617029