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:Z:I:1:forces:R:3 energy=13625.367077843872 pbc="F T T" Rf -0.00263941 0.16247657 0.26345376 104 -18917.35896647 -18542.33063035 -8498.86966434 Rf 1.27743147 1.36285040 -0.07530793 104 27643.14157765 14396.25901034 7037.78238568 Rf 1.49938902 0.09452307 1.53740009 104 13446.45761930 -10347.91422374 -1175.24207626 Rf 0.26862629 1.50150406 1.47000446 104 -22172.24023048 14493.98584375 2636.32935493