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=467.99522569019854 stress="-54.96152833715994 -20.014447155791277 -41.659032600161346 -20.014447155791277 -62.261471163449464 20.570022668846136 -41.659032600161346 20.570022668846136 -101.25804272107804" free_energy=467.99522569019854 pbc="F T T" Ta 0.17000230 0.07769264 0.36998252 -104.24855736 -117.29270838 -165.60593850 Ta 1.36810690 1.62937675 2.75818085 1010.27117653 -663.84313042 2040.53266307 Cu 1.59119645 2.79640878 1.71456242 283.85035596 953.07760543 -850.08245823 Cu 0.27913633 1.35263676 1.68492541 -1189.87297513 -171.94176663 -1024.84426633