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=47.86290233367387 stress="-7.050031764241247 -0.3052715829448992 0.08310452750957635 -0.3052715829448992 -5.866810563364014 -0.36652365149245986 0.08310452750957635 -0.36652365149245986 -8.126312024894496" pbc="T F T" Re 0.03848316 0.19178619 0.17895518 25.40869709 -55.41479294 -26.17740712 Re 1.79140871 1.61455359 0.03253581 -36.34222551 52.47394671 -7.33655866 Re 1.64904689 0.10609294 1.46603997 -39.15832325 -66.16556837 14.42174080 Re -0.19401975 1.32157598 1.51361598 50.09185167 69.10641460 19.09222498