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=5190.182708029737 stress="-20909.394270390647 -682.4296386682272 -1642.1880539018184 -682.4296386682272 -19402.03331485049 -5637.041547093867 -1642.1880539018184 -5637.041547093867 -23851.634629293105" pbc="F F F" Nd -0.14292671 -0.29331735 0.10648855 -7881.14315789 -8822.09192628 -10139.79678317 Nd 1.22984457 1.52906851 -0.22363711 5896.72142606 3521.42571652 -5735.53679984 Nd 1.43582259 -0.29706788 1.56075998 7928.66347829 -2386.30971027 6329.68582941 Nd -0.19292005 1.39469197 1.44250113 -5944.24174646 7686.97592003 9545.64775359