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=4.591182476677473 stress="-1.3451779921563496 -0.1421237576551052 0.12980236920770363 -0.1421237576551052 -1.1156081808573226 -0.3328171273843721 0.12980236920770363 -0.3328171273843721 -0.6216839645051747" free_energy=4.591182476677473 pbc="F F T" Ta 0.05332204 0.23110688 2.78420800 -12.02812078 -11.87623128 2.99873239 Ta 1.51283276 1.70071341 2.82858036 13.05069675 12.94891145 6.39878533 Ta 1.64720807 0.08942344 1.45706424 12.75836046 -10.80724044 -7.84108771 Ta 0.27559981 1.21321713 1.92120576 -13.78093643 9.73456027 -1.55643002