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=13154.974320188843 stress="-56258.35973116224 -15128.29610609567 944.6510054684386 -15128.29610609567 -47641.85576374017 -8158.847342548444 944.6510054684386 -8158.847342548444 -57844.743091214215" pbc="F F F" Lu -0.27941230 0.24528869 -0.06423068 -26653.75818682 -27196.40877311 -19151.24542602 Lu 1.36313313 1.24345978 -0.10578919 26372.67213773 21623.63446255 -18201.86756891 Lu 1.58787898 -0.02806803 1.44022417 8179.80296906 -14019.76954351 11397.85107168 Lu 0.01608214 1.37966771 1.47459980 -7898.71691997 19592.54385407 25955.26192325