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=56.55118509100867 stress="-7.548594242806871 -1.4698608520699712 -0.7911311180883366 -1.4698608520699712 -9.458976338068252 0.8396142012454767 -0.7911311180883366 0.8396142012454767 -6.763597876704906" pbc="F T F" W 0.04852473 0.01848935 0.13661615 -98.58369123 -8.76467227 -82.23248142 W 1.40480033 1.28303047 0.11041876 61.39837571 23.10445733 -66.27332100 W 1.26735611 -0.16466555 1.24148635 100.86102480 7.52538260 89.45082513 W 0.08611608 1.53369179 1.52598936 -63.67570928 -21.86516766 59.05497729