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=-1.575699217433197 stress="-0.43744419389511224 -0.02180848662090036 0.0179985370750148 -0.02180848662090036 -0.5717636307256655 0.07057518248461707 0.0179985370750148 0.07057518248461707 -0.5345670012358057" free_energy=-1.575699217433197 pbc="F T F" Cu 0.29768454 2.98273691 0.17089611 -4.60322122 -1.65909476 -4.98010622 Cu 1.47011124 1.20220318 0.26235339 6.13367462 2.85982364 -5.39678021 Cu 1.34838096 0.21005355 1.71211731 4.38702051 -2.62837424 5.56747543 Cu 0.29594673 1.51397658 1.49042854 -5.91747391 1.42764537 4.80941100