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=-2.7503247520739436 stress="-0.44089224969208757 0.0627282228009992 -0.010071488714788673 0.0627282228009992 -0.44470706273201616 -0.009626418966226548 -0.010071488714788673 -0.009626418966226548 -0.43503284905495965" free_energy=-2.7503247520739436 pbc="T F F" Cu 2.93745442 0.09073906 0.27219963 -0.79651484 -4.56956535 -4.82711684 Cu 1.43381326 1.63132919 0.25978669 1.14497683 3.26084415 -4.31559227 Cu 1.22592512 0.18365717 1.70288723 2.73122996 -4.86092700 3.69497841 Cu 0.08343331 1.29585403 1.44809454 -3.07969194 6.16964821 5.44773070