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=2.3946854592050775 stress="-4.1205513857340526 -0.6194393077853654 -0.2686496655065148 -0.6194393077853654 -2.9992171112564674 -0.18086063140626613 -0.2686496655065148 -0.18086063140626613 -3.347308267551662" free_energy=2.3946854592050775 pbc="T F T" Nb 0.48252084 0.03605731 0.06337422 -14.83416250 -30.93335400 -8.55669786 Nb 1.74684207 1.62315688 0.23886447 7.90040844 27.85816550 -7.41697358 Zr 1.34265519 0.25232904 1.27665686 5.18669452 -20.40063638 7.38970063 Zr 2.89806491 1.79008583 1.21078421 1.74705954 23.47582489 8.58397081