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=20.605165924129782 stress="-4.252404104663189 1.2365163237617498 -0.05291492773780354 1.2365163237617498 -4.44273533607465 -0.018609823742394838 -0.05291492773780354 -0.018609823742394838 -3.9895631329883248" pbc="F T F" W 0.04737131 0.03238783 0.24404962 -26.46533595 -22.09306142 -36.99153105 Re 1.36810690 1.39130086 0.09119645 39.87180804 6.82326628 -39.03254838 W 1.29640878 0.21456242 1.77913633 57.57972855 -40.03487223 38.25784186 Re 0.18492541 1.33178173 1.38323780 -70.98620064 55.30466737 37.76623757