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=-37.337572501545466 stress="-0.5146376161926297 0.4121495413076107 -1.2902084483715934 0.4121495413076107 -1.3012391562508858 -2.3068578382619056 -1.2902084483715934 -2.3068578382619056 -0.09377449337500242" pbc="F F T" S 0.15729190 0.01292086 0.23551373 -13.86266346 -35.83299886 -62.68920093 S 1.78701539 1.76069734 -0.15790966 -10.30916247 -13.72013294 3.06968053 S 1.71708974 0.04570451 1.38885866 19.67484346 7.15546081 19.08266320 S 0.15896447 1.40164339 1.48501705 4.49698247 42.39767099 40.53685720