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=194695.94075283347 stress="-410652.6376817132 -97258.72728425529 -103636.9030883642 -97258.72728425529 -898250.6198569005 -679218.8035404424 -103636.9030883642 -679218.8035404424 -1043011.9664849157" pbc="F F F" Gd -0.23772099 0.22170012 0.06497517 -200262.30444331 -668149.74694375 -795131.12464677 Gd 1.48887245 1.55317436 0.25737656 141495.39584931 90236.73106282 -116862.23510785 Gd 1.30178261 -0.05329411 1.29698241 117126.69237008 -151427.16964020 67000.79832694 Gd 0.00164502 1.23146368 1.22824097 -58359.78377607 729340.18552113 844992.56142769