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=-4.986206679450237 stress="-1.0705496745307312 0.039272797034220146 0.06256875499457905 0.039272797034220146 -0.9959761692311981 0.0779972041338136 0.06256875499457905 0.0779972041338136 -0.9563780420116726" free_energy=-4.986206679450237 pbc="T T F" Cu -0.04105180 0.20259391 0.06504129 -5.39560833 -6.59784616 -5.88563987 Cu 1.20865944 1.36550211 0.22277084 7.19739783 8.67247274 -11.12038301 Cu 1.53986855 0.39359151 1.69581920 4.01303722 -6.70596549 8.98703095 Cu 0.14685009 1.76166535 1.67626233 -5.81482672 4.63133891 8.01899193