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=81582.49650554317 pbc="T F T" Zr -0.17706278 0.24346782 0.09818012 40 288807.33827008 -292080.91296219 -17271.86134734 Zr 1.66756189 1.27573689 0.09283392 40 -296526.55404854 309226.53839842 -39258.20808735 Zr 1.19571027 0.20163766 1.49383839 40 9563.49042814 -58270.35284517 35471.39542138 Zr 0.05801054 1.74604506 1.38112426 40 -1844.27464967 41124.72740894 21058.67401331