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=64.35707733022096 stress="-10.066827524171083 -0.47445143841356524 -0.1460306512555539 -0.47445143841356524 -6.803780913505213 -0.3519952287271653 -0.1460306512555539 -0.3519952287271653 -11.76522331462695" free_energy=64.35707733022096 pbc="T F T" Ta 0.03848316 0.19178619 0.17895518 23.97002374 -65.63412435 -30.68762076 Ta 1.79140871 1.61455359 0.09583508 -36.91744264 61.48212469 -18.23599092 Ta 1.64904689 0.10609294 1.46603997 -41.71778584 -75.30868950 16.30952618 Ta -0.19401975 1.32157598 1.51361598 54.66520474 79.46068916 32.61408549