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=142.18991689440867 stress="-12.372071955673661 0.2056316832067161 0.5645059469471347 0.2056316832067161 -17.77989947191166 1.3588328388060094 0.5645059469471347 1.3588328388060094 -17.117764890805454" pbc="F T T" W 0.20288723 0.08343331 -0.20414597 -122.65321053 -26.40364839 106.02780303 W 1.44809454 1.72094491 0.23171545 114.79250597 -73.98701611 29.24983082 W 1.68190327 -0.17816502 1.71219253 123.50487819 60.50508445 -39.64983064 W 0.12990665 1.28220450 1.78278197 -115.64417363 39.88558005 -95.62780321