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=51.240715911705664 pbc="F F T" Zr 0.22083292 -0.21015034 -0.01264569 40 -47.32159266 -42.62356125 14.66867599 Zr 1.42299150 1.40698366 0.14539107 40 50.24001140 44.05672738 7.36618273 Zr 1.32825321 0.13102478 1.59995250 40 58.07466485 -53.30821188 -9.82319578 Zr 0.26120756 1.51193751 1.75226748 40 -60.99308359 51.87504575 -12.21166294