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=34.134651634650865 stress="-1.875394824555391 0.014550065544679809 -0.015773414463415434 0.014550065544679809 -1.01249258690987 -0.002886381811546496 -0.015773414463415434 -0.002886381811546496 -1.8975579576842483" free_energy=34.134651634650865 pbc="T F T" Na 0.03848316 0.19178619 0.17895518 2.00989904 -10.01004071 -2.96569098 Na 1.79140871 1.61455359 0.09583508 -2.84049339 11.21752915 -2.52220374 Na 1.64904689 0.10609294 1.40349439 -2.22965893 -10.48272391 2.08454235 Na -0.19401975 1.32157598 1.29208456 3.06025329 9.27523547 3.40335238