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=5.24061540461 stress="-1.7087206030736448 -0.10610643439701119 -0.12325090613549841 -0.10610643439701119 -1.7689290044428276 -0.10043547902045181 -0.12325090613549841 -0.10043547902045181 -1.6753807969246717" pbc="F F F" O 0.18190327 -0.17816502 0.21219253 -3.93908034 -5.18145823 -3.70225661 O 1.42485375 1.62990665 -0.21779550 2.72588805 3.47318632 -3.23520863 O 1.78278197 0.06210000 1.63362859 4.21320448 -1.54183112 3.72788355 O -0.17297059 1.57034430 1.54852473 -3.00001220 3.25010302 3.20958168