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=227.27669143323627 stress="-19.37945647888935 1.795179764241479 -5.994179262092611 1.795179764241479 -25.204533523102167 -4.44922504022249 -5.994179262092611 -4.44922504022249 -34.04310897314875" pbc="F T T" W 0.02031036 0.18745344 0.23996280 -246.74917328 -43.35544444 -164.26165006 W 1.37970777 1.77711528 -0.12128882 175.90307119 -141.44171180 -54.71695610 W 1.25213077 -0.26874888 1.21824351 247.24284937 109.67751177 188.94429483 W 0.13616082 1.26429260 1.62968218 -176.39674728 75.11964448 30.03431134