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=12.724873769028315 stress="-3.5918216706318615 0.7730510180763669 1.3736077452145463 0.7730510180763669 -2.982332472571464 -0.4773677095319007 1.3736077452145463 -0.4773677095319007 -4.1242865143030505" free_energy=12.724873769028315 pbc="T T T" N 2.75294705 2.76067717 0.17871475 15.93369199 14.67534537 -18.96157146 Ti 1.69104769 1.46850990 2.95283623 -42.02227550 -5.97666076 49.40926479 Al 1.28353165 2.70072959 1.51229390 -10.10122728 20.08702122 -5.09415281 Al 2.84628414 1.29061752 1.74339277 36.18981079 -28.78570584 -25.35354053