2 Lattice="3.542634095436875 -0.20238301881797374 2.0351103463266834e-16 -1.668656681124751 3.132145475705801 2.141243819215884e-16 -2.722308745773212e-17 8.01987165628839e-19 15.00009310009194" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-15.910073816810554 stress="7.2348531458961496e-06 -4.2959773844592206e-05 -2.109685438053228e-09 -4.2959773844592206e-05 -3.310444713704528e-05 2.728687366073489e-10 -2.109685438053228e-09 2.728687366073489e-10 7.134523318977396e-05" dipole="2.4420446936618148 1.649266248798818 1.9056576702733442e-05" magmom=0.0 free_energy=-15.92147889883783 pbc="T T F" Zr 1.85853599 1.90765659 7.50001123 0.00000000 -0.00645365 0.00252909 0.00025428 0.00000000 O 0.01549072 1.02208948 7.50008597 0.00000000 0.00669079 -0.00267330 -0.00024376 0.00000000