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=18.587476962302418 stress="-2.750670570976303 0.18574300897097157 -0.23586694308013015 0.18574300897097157 -3.101193121256099 -0.02157566956821034 -0.23586694308013015 -0.02157566956821034 -2.77384118073874" pbc="F T F" Cu 0.16523617 -0.11709003 0.18360837 -33.47619585 -8.50356585 -33.03544887 Cu 1.62919136 1.45061547 0.14592855 13.36006734 16.00279038 -25.65632803 Zr 1.32706660 0.20359985 1.25068542 46.77485548 -24.28285730 38.05270640 Zr 0.15154029 1.28973682 1.79811016 -26.65872697 16.78363278 20.63907050