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=121.00269144381627 stress="-26.62386057940637 0.21600223839221575 -6.962949316600118 0.21600223839221575 -13.162528722007075 -1.2425156140886215 -6.962949316600118 -1.2425156140886215 -21.310668137083432" free_energy=121.00269144381627 pbc="T T T" Cu 0.20947124 2.85512851 0.05280714 -222.45580333 -32.97773732 -144.24075045 Cu 1.41333883 1.34655491 2.57486980 73.72550011 31.53595722 146.70272893 Cu 1.32230844 2.91049160 1.22286420 205.20984116 -33.92925889 139.37951322 Cu 2.93858073 1.25205420 1.65488783 -56.47953794 35.37103899 -141.84149170