4 Lattice="4.195324899541896 1.7725440724652867e-18 0.0 -2.0976624473745114 3.6342614082143165 0.0 -1.2532535312151408e-17 0.0 18.85580293064" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1 energy=-27.57823794620954 dipole="-2.69715720678464 1.5479727863060548 8.03192430038171e-06" free_energy=-27.582646327477047 pbc="T T F" S -0.00014260 0.00022805 7.76461152 0 0.00000000 S 0.00014259 2.42261290 11.09247324 0 0.00000000 Zr -0.00007239 0.00014552 10.38842013 0 0.00000000 Zr 0.00007237 2.42269543 8.46870264 0 0.00000000