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=-0.5688768403913792 stress="-0.9840969200853328 0.02284214165808837 -0.014585427083153465 0.02284214165808837 -1.2146434899127254 -0.03126950865365285 -0.014585427083153465 -0.03126950865365285 -1.3049149800688866" free_energy=-0.5688768403913792 pbc="T F T" Cu 0.15300231 0.03848316 -0.04225341 -10.93530091 -9.41765229 6.82396627 Cu 1.41852158 1.45789336 -0.11174318 11.51668743 11.52277630 8.38558587 Cu 1.27041603 0.19178619 1.67895518 11.27895910 -13.88677560 -9.07598526 Cu 0.29140871 1.61455359 1.53253581 -11.86034562 11.78165159 -6.13356688