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=10.859711974849523 pbc="F F T" Zr 0.13362859 -0.17297059 0.07034430 40 -30.23378581 -25.10010601 -11.77438422 Zr 1.54852473 1.55473499 -0.08438932 40 21.65015381 26.43993581 -4.72185853 Zr 1.63661615 -0.09519967 1.37719504 40 30.15787554 -19.90466487 9.03512131 Zr -0.20130994 1.61041876 1.26735611 40 -21.57424354 18.56483506 7.46112144