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=35321.88502791496 stress="-163570.96986514644 28369.065606046555 38591.30718910752 28369.065606046555 -131084.44702098463 -17656.641021676114 38591.30718910752 -17656.641021676114 -133859.3039117093" pbc="F F F" Nd -0.04405355 -0.04660745 0.05164411 -9922.37815946 -54205.72737222 -47170.82949266 Nd 1.34168195 1.52085101 0.19946765 68834.20705755 24593.47651593 -54613.17938404 Nd 1.26328142 0.16329753 1.79721237 48837.82399736 -45456.70679443 30562.33859844 Nd -0.08430956 1.31316610 1.29541962 -107749.65289545 75068.95765072 71221.67027825