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=28.829217706726034 stress="-2.4258441063157132 0.12352079712230368 0.7501041131584822 0.12352079712230368 -2.0891217542721843 0.44247410646822044 0.7501041131584822 0.44247410646822044 -3.0958697029269895" free_energy=28.829217706726034 pbc="F F T" Cu 0.29874826 0.05835534 -0.25354363 -24.75556486 -21.13693690 12.89706817 Cu 1.48193431 1.42001865 0.20070203 24.03292108 20.73184234 -12.43977637 Cu 1.20342959 0.28187239 1.51001192 33.76945665 -25.21934250 -5.10502346 Cu 0.10170120 1.37793365 1.21904386 -33.04681287 25.62443706 4.64773166