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=23379.70914988121 stress="-74004.75446036992 30889.2626192024 -22009.72812304829 30889.2626192024 -110106.39346213284 -26576.83653769015 -22009.72812304829 -26576.83653769015 -101364.90829640371" pbc="F F F"
Lu       0.15077394      -0.00735204      -0.00689906  -26805.72796180  -35557.94013637  -59058.15771971 
Lu       1.53372692       1.70212233      -0.20145718   14344.26384907    7423.64646488  -14302.77716922 
Lu       1.34390264      -0.16058339       1.44359398   48787.80043494  -40936.77418976   31081.70763078 
Lu       0.26206545       1.31220282       1.25845959  -36326.33632220   69071.06786125   42279.22725816