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=-9.252881809201837 stress="-1.7146962639907755 -0.5785624781109331 0.001409070900381099 -0.5785624781109331 -2.3535583807805533 -0.1834176744083136 0.001409070900381099 -0.1834176744083136 -5.0766768479364" free_energy=-9.252881809201837 pbc="F F T" N 0.28148913 0.05210001 2.96864501 -29.75945445 -13.26415319 11.32207492 U 1.76147517 1.50736779 0.00505582 22.46653652 24.62676388 7.47790088 U 0.95741928 0.17858111 1.58352372 18.95031881 -30.24182958 -16.49892944 N 0.26111147 1.72232616 1.67663504 -11.65740087 18.87921889 -2.30104636