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=-22.155339443437214 stress="-0.0277383621384247 0.1412171133401992 -0.045562244125777585 0.1412171133401992 -0.22123918540118093 0.06774383071377366 -0.045562244125777585 0.06774383071377366 0.8735522971700853" free_energy=-22.155339443437214 pbc="T F T" O 0.18107110 0.13102478 0.12026285 0.36013302 -1.36750020 -0.00187654 O 1.76120756 1.51193751 0.25226748 -1.13005426 1.77501256 0.39995957 Al 1.46431997 0.04396501 1.57236142 2.05951844 -2.46515562 1.02766759 Al 0.20379337 1.73854596 1.26922180 -1.28959721 2.05764327 -1.42575062