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:Z:I:1:forces:R:3 energy=557.599136091 pbc="T T T" Zr 0.31660339 0.14066906 0.10378427 40 -284.67672862 -218.81544221 -348.51582599 Zr 0.91911338 0.55454100 0.33821990 40 432.03271157 371.68513667 -224.28447712 Zr 0.70588739 0.23211146 0.59681875 40 77.52558769 -347.06175705 416.72523978 Zr 0.05386640 0.79737131 0.78238783 40 -224.88157064 194.19206259 156.07506333