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=24.085163410208473 stress="-3.804606138585355 -0.05897379431802724 0.05037624253073399 -0.05897379431802724 -3.9457716189858463 -0.15763592653725272 0.05037624253073399 -0.15763592653725272 -3.837222139865712" free_energy=24.085163410208473 pbc="T T T" Ti 2.60704314 0.11042859 0.20947124 7.67432994 -4.25832193 -9.50237008 Ti 1.51001633 1.61269254 2.91333883 -5.86829144 -1.08821165 -4.45899942 Ti 1.34655491 2.87241235 1.32230844 -5.72394394 -1.27805028 7.62684285 Ti 2.91049160 1.22286420 1.43858073 3.91790544 6.62458386 6.33452665