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=28.171849675974094 stress="-4.517397404285244 -0.8286963533818478 0.08881927990440573 -0.8286963533818478 -6.695230934686628 -1.01070204702854 0.08881927990440573 -1.01070204702854 -4.4902682902632955" free_energy=28.171849675974094 pbc="F T F" Ta 0.29977655 0.18543805 0.07327937 -35.38169185 -36.77347222 -59.84309906 Ta 1.69989723 1.34717085 0.15720406 59.23533458 15.43892659 -27.06269037 Ta 1.26564846 2.88507600 1.79768454 32.84656490 3.20442179 42.65199138 Ta 0.17089611 1.47011124 1.20220318 -56.70020763 18.13012384 44.25379805