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=66.83759300869345 stress="-8.740139957546981 -1.3918023674208597 -0.6569141784490895 -1.3918023674208597 -11.942066016839826 0.7695317538010168 -0.6569141784490895 0.7695317538010168 -7.985200752732243" free_energy=66.83759300869345 pbc="F T F" Ta 0.04852473 0.01848935 0.13661615 -111.50516673 -8.38075565 -94.63578152 Ta 1.40480033 1.28303047 0.11041876 74.09915698 21.35440661 -79.72126304 Ta 1.26735611 -0.16466555 1.24148635 113.50678521 7.70707064 101.00095460 Ta 0.08611608 1.53369179 1.52598936 -76.10077547 -20.68072160 73.35608996