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=1.629491809396658 stress="-0.13925327002793597 -0.01708983011186784 -0.018779441152384516 -0.01708983011186784 -0.12837644310414476 -0.04434095543822835 -0.018779441152384516 -0.04434095543822835 -0.1296929413693476" free_energy=1.629491809396658 pbc="F T F" O 0.07255377 0.01129231 0.01258782 -1.63137073 -0.24234425 -1.80093636 O 1.66911338 1.17264790 0.12365747 1.21555804 -0.66045112 -0.37233934 O 1.45588739 -0.04702487 1.47619550 1.29895499 1.09236216 0.82088900 O 0.04737131 1.29056869 1.74404962 -0.88314230 -0.18956678 1.35238670