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=175.03842072122973 stress="-19.067900449321396 -1.549440812530871 -4.757996861293427 -1.549440812530871 -21.691007445653636 -1.2804170197368343 -4.757996861293427 -1.2804170197368343 -26.77926030746762" free_energy=175.03842072122973 pbc="F T T" W 0.27143892 2.90295338 0.14189940 -220.43527885 106.61299021 -47.71224171 W 1.74759167 1.61018303 2.92518197 153.51580464 -64.99758746 40.17543157 W 1.24663523 2.98702489 1.44857885 277.61693265 126.93850015 65.94801075 W 0.18843096 1.67061300 1.79169807 -210.69745844 -168.55390290 -58.41120060