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=775.2824553226232 stress="-140.29961930489245 64.46985388433174 32.40302283732226 64.46985388433174 -150.5003568505924 -34.58495772704046 32.40302283732226 -34.58495772704046 -67.68312124829656" free_energy=775.2824553226232 pbc="F F T" Ta 0.24706405 0.27405519 0.15064923 -769.06699484 -1518.05581993 -490.72812669 Cu 1.22953295 1.47681529 2.76177624 694.59743651 1003.98480038 -311.07212223 Ta 1.42756476 0.29071439 1.19823578 2830.05594438 -2530.22038824 -582.30229667 Cu 0.33242281 1.22603650 1.44803743 -2755.58638605 3044.29140779 1384.10254559