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=-3.5969105473269596 stress="-29.63493257026314 -7.932975242275478 -10.867905338360826 -7.932975242275478 20.731708423961496 40.222674241684594 -10.867905338360826 40.222674241684594 -0.2823144647598852" pbc="F F F" Nb 0.18843096 0.17061300 0.29169807 -22.41168308 31.36980397 15.57388824 Al 1.46863002 1.44630638 0.03851086 9.52381108 8.81757289 -11.09755524 Ti 1.64982991 -0.25204613 1.32929456 12.14055652 -10.45372050 12.50042726 Al -0.21252151 1.39476746 1.20458391 0.74731548 -29.73365637 -16.97676025