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=87.43456190877467 stress="-5.560467101896715 -0.6561260048378467 -0.24618494989285486 -0.6561260048378467 -8.942614398396952 0.5934325676760439 -0.24618494989285486 0.5934325676760439 -5.398935439995308" pbc="F T F" Pb 0.05473499 -0.12063495 0.13661615 -68.90098889 3.43335105 -63.49908535 Pb 1.40480033 1.28303047 0.11041876 48.67495680 6.33877688 -53.43374485 Pb 1.26735611 -0.16466555 1.24148635 70.92845046 8.01217280 63.59127637 Pb 0.08611608 1.53369179 1.52598936 -50.70241837 -17.78430073 53.34155383