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=-50.31233363958083 stress="-4.332231568038211 -4.856111306741373 0.5236951827479641 -4.856111306741373 -6.447396493568582 3.303453800874073 0.5236951827479641 3.303453800874073 -5.047966090669972" pbc="T T F" S -0.05534797 -0.21859989 0.03614497 94.41031177 56.39072332 -19.02822775 S 1.63929345 1.49967585 0.03075235 -64.75316879 30.77045425 -86.69134336 S 1.61470289 0.25636133 1.30688001 -89.94782195 -143.64176572 101.85734528 S -0.05518261 1.46275169 1.69163951 60.29067897 56.48058815 3.86222583