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=7.05693338773996 stress="-81.81529889396819 2.3572400442142403 0.8801804526680783 2.3572400442142403 -83.65492103230024 3.4483394866833024 0.8801804526680783 3.4483394866833024 -82.8831740246388" pbc="F F F" U -0.03169295 -0.00225821 -0.00999767 -25.66420047 -26.20804770 -25.25805743 U 1.52508775 1.46292870 -0.01239354 26.50897934 28.13090888 -29.82112130 U 1.49974193 0.03523405 1.50125149 27.01767331 -30.69483388 29.23776610 U -0.00193333 1.51271265 1.48474171 -27.86245217 28.77197270 25.84141263