6 Lattice="6.481250352056861 2.4529170418487077e-82 0.0 1.2201579899472261e-18 3.667950417339604 0.0 6.010613710103977e-19 2.562832836672953e-37 17.88689268" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-40.23563140591228 stress="3.281341217591751e-05 0.0 -1.1020928956020388e-24 0.0 -1.6244852676714753e-05 -1.7223486209263188e-11 -1.1020928956020388e-24 -1.7223486209263188e-11 5.42250797142123e-05" dipole="7.68305154850213e-15 -1.7916456458019108 -9.672224403759836e-06" magmom=0.0 free_energy=-40.23566590408397 pbc="T T F" S 4.91633466 0.85895637 10.37726446 0.00000000 0.00453107 -0.00006628 0.00135548 0.00000000 S 4.80554087 2.69293158 7.50963502 0.00000000 -0.00454212 -0.00006627 -0.00145899 0.00000000 S 1.67570948 2.69293158 7.50963502 0.00000000 0.00454212 -0.00006627 -0.00145899 0.00000000 S 1.56491569 0.85895637 10.37726446 0.00000000 -0.00453107 -0.00006628 0.00135548 0.00000000 Zr 0.00000000 2.69291867 9.41867429 0.00000000 0.00000000 0.00014587 -0.00321696 0.00000000 Zr 3.24062518 0.85894346 8.46820479 0.00000000 0.00000000 0.00014593 0.00361158 0.00000000