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=195280.2392045946 stress="-28425.636313699957 -10659.486469058771 1162.6791644189693 -10659.486469058771 -33565.78582155542 -11774.88491025285 1162.6791644189693 -11774.88491025285 -26311.24896774092" pbc="T T T" Np 0.20885868 0.30416159 -0.10536655 -191805.03944742 -165586.08717515 -109368.75400148 Np 1.45414229 1.53476317 0.03976186 224344.28116725 -123873.82076817 -327456.52730186 Np 1.41488747 -0.27162218 1.21971334 218486.98081032 405278.38600204 298963.80749375 Np 0.11062386 1.59505459 1.27946642 -251026.22253015 -115818.47805872 137861.47380959