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=-0.9077187507003752 stress="1.8004639540351424 -0.1292390495627112 0.6654008231887364 -0.1292390495627112 1.5319385155226009 0.23645420087932212 0.6654008231887364 0.23645420087932212 1.9535365872813242" pbc="F F F" F 0.27762569 0.05979932 0.21394962 0.92611194 0.62190988 1.19409046 F 1.50179961 1.79533558 -0.03185223 -0.32280210 -0.34399365 0.35515665 F 1.31765073 0.26529417 1.42463586 -1.21278785 0.37978639 -1.14878864 F 0.04140990 1.59996228 1.40112845 0.60947800 -0.65770262 -0.40045847