16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.91690113689542 stress="-0.0001125019472711947 -1.5716841579663874e-05 0.0002026612795665615 -1.5716841579663874e-05 -0.00011396247627284471 -9.001261887532682e-05 0.0002026612795665615 -9.001261887532682e-05 0.00014245330163443725" free_energy=-44.91690113689542 pbc="F F F" Ti 21.29977655 21.18543805 21.04403286 -1.26546115 0.58101304 0.32542966 Al 22.53034361 22.69989723 22.62961200 -2.55247958 -1.39472840 -4.08667377 Ti 23.87425859 21.15720406 21.04124827 0.94743244 0.04952831 -1.01531445 Al 25.38507600 22.79768454 22.48273691 3.08978690 -1.61658497 -3.84295823 N 20.86065667 23.88411324 20.97011124 1.79344612 -3.15958571 3.53388594 Ti 22.20220318 25.21755886 22.35541431 3.09627301 5.47100065 -3.64194786 N 23.89917148 24.26235339 20.84838096 0.78348921 -1.36568578 4.01929361 Ti 25.71005355 25.71211731 22.66705135 -0.90874220 -0.49161310 -0.12082037 N 21.29594673 21.15710459 23.99042854 0.60259038 0.98488096 -0.76941242 Al 22.35687199 22.47664413 25.52727679 -0.54414946 -0.90181403 0.11793347 Al 24.02201293 20.81634348 23.92534241 0.97915305 0.84136556 1.36345961 N 25.48566276 22.31443107 25.54376171 -1.82529829 -1.72350053 -2.03143952 Al 20.72051529 24.19273990 23.80722932 -5.56629993 -1.91387253 1.47280188 Al 22.26172667 25.34556827 25.11651437 1.68922863 0.72888583 0.59576621 Ti 24.23110688 23.99816022 24.01283276 1.03036204 2.98621773 6.64154249 N 25.70071341 25.32858036 25.64720807 -1.34933116 0.92449297 -2.56154626