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=218091.10845270127 stress="-733922.304647295 -172519.2311681991 208032.76928381168 -172519.2311681991 -1077451.5695700326 -339490.762934989 208032.76928381168 -339490.762934989 -824831.3011227371" pbc="F F F" Ac 0.28278197 0.06210000 0.13362859 -218034.37841469 -707920.42525607 -444393.04889949 Ac 1.32702941 1.57034430 0.04852473 408219.16734943 373295.29117019 -204541.15893715 Ac 1.55473499 0.02602945 1.63661615 142886.94696156 -55039.30949577 152032.70466970 Ac -0.09519967 1.37719504 1.29869006 -333071.73589629 389664.44358164 496901.50316694