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=4.654836693895132 stress="-2.116912141105241 0.9027719087632639 -0.46103472212686547 0.9027719087632639 -2.7205497084595427 0.2918597814247365 -0.46103472212686547 0.2918597814247365 -2.1723996434261066" free_energy=4.654836693895132 pbc="T T T" Cu 2.85540510 0.11115480 0.31304306 14.27736609 -18.62859947 -10.60756248 Cu 1.70960170 1.31143450 2.83833517 -20.25454849 -2.65466573 3.23563844 Cu 1.35333724 2.54375720 1.64041416 -6.86888695 19.29859367 -4.77309816 Cu 2.77812781 1.51878885 1.32834452 12.84606934 1.98467153 12.14502220