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=17.511577135977323 stress="-3.9928791268188597 0.24651674881315733 -0.22171364142028524 0.24651674881315733 -4.964269559595377 -0.1221862935785063 -0.22171364142028524 -0.1221862935785063 -2.9255040256520672" free_energy=17.511577135977323 pbc="T T F" Ta 0.06482696 2.84620060 0.01821382 -36.35428001 16.88061861 -30.02323638 Ta 1.20575425 1.46963223 0.15586213 30.02831222 -25.50244095 -29.33499197 Cu 1.40395547 2.83226600 1.23049600 17.55487398 15.65480141 37.98985316 Cu 0.12036030 1.60063909 1.74843919 -11.22890619 -7.03297908 21.36837519