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:Z:I:1:forces:R:3 energy=55.08850887427899 pbc="F T T" Ti 0.21736445 -0.21395222 0.20384132 22 -43.34083461 8.77565473 -50.32639656 Ti 1.29224623 1.23214964 0.15627238 22 72.89959099 17.03807657 -64.61776505 Al 1.75551247 -0.14555376 1.49188881 13 52.49270636 -18.83764021 41.92518910 Al 0.06482696 1.34620060 1.51821382 13 -82.05146274 -6.97609108 73.01897251