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=75.14081930978702 stress="-7.067866985399268 0.20667708863391077 0.03475054937423782 0.20667708863391077 -6.3658875494695035 0.1255104900582964 0.03475054937423782 0.1255104900582964 -4.550706290224057" free_energy=75.14081930978702 pbc="T T F" Nb -0.01155935 0.03277713 0.21813893 7.20702903 19.80378852 -49.75214419 Nb 1.26716069 1.69410236 0.22586561 -7.68183372 -15.15333471 -49.53036718 Nb 1.79391194 -0.27385471 1.52103145 -11.27946085 17.22769978 51.38203809 Nb -0.22238644 1.68220204 1.39362841 11.75426554 -21.87815359 47.90047328