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=28.781613770985047 stress="-0.33741681886039976 0.29923772761592177 -0.783254627456303 0.29923772761592177 -1.2502384502748567 -0.1803099482362323 -0.783254627456303 -0.1803099482362323 -1.4830602592170743" free_energy=28.781613770985047 pbc="T T T" N 2.60704314 0.11042859 0.20947124 -23.05267823 8.48941736 15.35857515 N 1.51001633 1.55280714 2.61579628 28.23019501 16.25528359 -18.20063628 N 1.51086573 2.87241235 1.32230844 11.94206344 6.27250857 -6.87050258 N 2.91049160 1.22286420 1.25283802 -17.11958021 -31.01720953 9.71256371