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=17.582761287254037 stress="-4.14344335112721 0.01207703985058438 0.0006003284541871568 0.01207703985058438 -2.800905122986049 -0.05166858080360173 0.0006003284541871568 -0.05166858080360173 -4.69298253530201" pbc="T F T" Ta 0.03848316 0.19178619 0.17895518 9.70971908 -27.85860038 -8.58676440 Ta 1.79140871 1.61455359 0.03253581 -13.16892414 28.99528684 -3.05085156 Ta 1.64904689 0.10609294 1.46603997 -11.93110961 -29.33410414 6.09827998 Ta -0.19401975 1.32157598 1.51361598 15.39031467 28.19741767 5.53933598