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:Z:I:1:forces:R:3 energy=4.306199271223755 pbc="T F F" Cu -0.00811119 0.06482696 -0.15379940 29 0.31926865 -14.05917091 -10.33427861 Zr 1.51821382 1.20575425 -0.03036777 40 -3.12415247 30.77498273 -26.20145204 Zr 1.41609705 -0.09604453 1.33226600 40 -1.46902418 -24.68167255 27.37853024 Cu -0.26950400 1.62036030 1.45631248 29 4.27390800 7.96586073 9.15720040