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=-8.385200862563261 stress="-16.2188174169035 -1.478734259770511 -2.5057284145348504 -1.478734259770511 -17.254862799905343 2.506402861836884 -2.5057284145348504 2.506402861836884 -12.572849821839686" pbc="F F F" Ti 0.26235339 -0.15161904 0.21005355 -7.05455018 -4.47781201 -5.38472233 Ti 1.71211731 1.44968690 0.29594673 4.69687463 7.68348939 -5.59510558 Ti 1.65710459 -0.00957146 1.35687199 6.00018147 -6.29375305 8.18486921 Ti -0.02335587 1.74122900 1.52201293 -3.64250592 3.08807567 2.79495870