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=6.236242553153104 stress="-44.735129271351965 6.698134329842329 0.7388886708624938 6.698134329842329 -36.867136008474 1.8707261138896207 0.7388886708624938 1.8707261138896207 -38.086910724761864" pbc="F F F" Ti 0.03369179 0.02598936 -0.27670350 -13.15789023 -10.03610000 -11.18737429 Ti 1.46375436 1.40583543 -0.24440284 10.12020261 14.65301702 -12.16343403 Ti 1.20178472 0.29874826 1.27290972 23.26227058 -21.46918914 15.31048056 Ti -0.11909813 1.36136659 1.55835534 -20.22458296 16.85227212 8.04032776