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=51.41980943107397 stress="-3.2538113832632387 -0.2300242975338407 0.0371510132824406 -0.2300242975338407 -3.453118343934413 -0.0017555486189053753 0.0371510132824406 -0.0017555486189053753 -3.709608196256526" free_energy=51.41980943107397 pbc="F F T" Ta 0.12365747 0.04737131 0.03238783 -38.93808954 -24.08803265 -13.71221570 Ta 1.74404962 1.36810690 0.12937675 36.43027907 28.12885367 -13.25288522 Ta 1.25818085 0.09119645 1.29640878 27.39851647 -37.37169229 17.26735764 Ta 0.21456242 1.77913633 1.35263676 -24.89070599 33.33087127 9.69774328