4 Lattice="3.39130716874067 4.570720823827273e-19 0.0 -1.695653584370335 2.9369581601657 0.0 2.0767032047822294e-19 0.0 19.3567560289804" Properties=species:S:1:pos:R:3 energy=-33.980522560047696 dipole="6.188856031996636 -3.573137696049123 2.6177576750480416e-07" free_energy=-33.989003286685666 pbc="T T F" Zr 1.69565358 0.97898605 8.21281717 Zr 1.69565358 0.97898605 11.14393788 O -0.00000000 1.95797211 7.49727453 O -0.00000000 1.95797211 11.85947976