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=52.56701143844977 stress="-8.027905264661753 0.12484061855316853 -0.1848562283975419 0.12484061855316853 -8.236015149585286 -0.14130450747317355 -0.1848562283975419 -0.14130450747317355 -8.340043764067362" pbc="T T T" Ta -0.14459490 0.11115480 0.11044915 10.20867289 -12.01522718 -1.85771498 Ta 1.70960170 1.31143450 -0.16166483 -15.00372880 13.12379856 2.67123653 Ta 1.28829595 0.03769167 1.64041416 -4.60770036 -8.20569082 -4.68564077 Ta -0.22187219 1.51878885 1.32834452 9.40275626 7.09711945 3.87211922