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=6.387598485520528 stress="-2.1754946004619726 -0.6186151773740204 0.824912209708608 -0.6186151773740204 -2.274709546362301 -0.4331299557672486 0.824912209708608 -0.4331299557672486 -3.028107972995704" free_energy=6.387598485520528 pbc="T T T" Cu 2.60704314 0.11042859 0.20947124 30.40069772 -7.38132376 -39.69320444 Cu 1.51001633 1.61269254 2.91333883 -9.13139726 -3.38784842 -4.75709908 Cu 1.51086573 2.87241235 1.32230844 -33.68208792 -8.94187491 27.57930937 Cu 2.72474889 1.22286420 1.43858073 12.41278746 19.71104710 16.87099416