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=-4.994355049821963 stress="-0.8671616391949821 0.004835723170772111 0.051886411295155505 0.004835723170772111 -1.0202380424860842 -0.05763087875368867 0.051886411295155505 -0.05763087875368867 -0.938866824710649" free_energy=-4.994355049821963 pbc="F T F" V 0.23010044 0.09566688 0.12528982 -8.19838954 2.18385675 -9.30741980 V 1.62033173 1.67828948 0.21182891 9.10044312 -3.65377651 -8.25428669 V 1.29301824 2.73241985 1.57255377 8.24222117 4.11215857 10.85807672 V 0.01129231 1.51258782 1.66911338 -9.14427475 -2.64223881 6.70362976