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=5.441885348601553 stress="-2.3522876529593604 -1.4435715975534877 -0.34990741417037935 -1.4435715975534877 -3.5930622656881734 1.3477333462919487 -0.34990741417037935 1.3477333462919487 -2.82985188131683" free_energy=5.441885348601553 pbc="F F T" Ta 0.12937675 0.09119645 2.79640878 -34.94950626 -53.31838241 9.16768947 Ta 1.71456242 1.77913633 2.85263676 26.80309832 36.32140564 -10.47091050 Ta 1.68492541 0.12263099 1.54530481 13.50355355 -11.89306605 16.70971869 Ta 0.12593290 1.34000708 1.39901191 -5.35714562 28.89004282 -15.40649765