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=-19.474606829774338 stress="-0.6327081408962936 -0.11474255008156384 0.08801019389076827 -0.11474255008156384 -0.5289110165081595 -0.04361820873910157 0.08801019389076827 -0.04361820873910157 0.5847263574048596" free_energy=-19.474606829774338 pbc="F T T" O 0.24801614 2.84838096 0.25381525 -1.67909946 2.03321202 -1.31431308 O 1.43263261 1.64242680 0.34926876 5.82528604 -3.14315514 -4.53020489 Al 1.65710459 2.87479327 1.35503220 7.17171105 4.82317500 2.13998140 Al 0.24122900 1.52201293 1.32917623 -11.31789764 -3.71323188 3.70453657