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=2.8076380072219824 stress="-2.4729527966342815 -0.1818862654940553 -0.42492908942609375 -0.1818862654940553 -1.4414457615231873 -0.1252646785288595 -0.42492908942609375 -0.1252646785288595 -3.213501759913248" free_energy=2.8076380072219824 pbc="T F F" Ta 2.78091226 0.10609294 0.01361598 -10.97505234 -9.33089078 -23.32019052 Ta 1.53564422 1.47567541 0.06329927 4.58640765 7.48775341 -26.96769939 Ta 1.64034165 0.09073906 1.77219963 7.21459023 -16.78105174 23.61710430 Ta 2.93381326 1.63132919 1.75978669 -0.82594553 18.62418911 26.67078561