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=134.842203081749 stress="-7.494343157588902 -0.860903760621371 -0.2728440235228604 -0.860903760621371 -11.620067431725873 0.782460550002938 -0.2728440235228604 0.782460550002938 -7.291693945397543" free_energy=134.842203081749 pbc="F T F" Pb 0.05473499 -0.12063495 0.13661615 -92.41621006 4.63370916 -85.22372993 Pb 1.40480033 1.28303047 0.11041876 66.48373463 8.24710159 -72.49630561 Pb 1.26735611 -0.16466555 1.24148635 94.62606039 10.59436622 84.90409178 Pb 0.08611608 1.53369179 1.52598936 -68.69358495 -23.47517697 72.81594377