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=23.10154401595358 stress="-2.9129709280376304 -0.4291533624191375 0.25994077814046934 -0.4291533624191375 -4.3805053283565165 0.8242448049372819 0.25994077814046934 0.8242448049372819 -3.673538859403735" free_energy=23.10154401595358 pbc="F T F" Cu 0.29119256 2.56182964 0.16188986 -40.62405449 16.75395380 -43.00102266 Ta 1.44564997 1.24841186 0.00795817 30.55763529 -5.67530250 -29.58292634 Cu 1.26680101 2.90920482 1.23108817 41.28759478 15.85798067 31.93846376 Ta 0.19215061 1.66717744 1.64995810 -31.22117558 -26.93663197 40.64548524