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=10.409406847398254 stress="-1.4116482505856067 -0.09307336796022476 0.1399705667763795 -0.09307336796022476 -2.238648440579778 0.016133084570672723 0.1399705667763795 0.016133084570672723 -2.188998429550535" pbc="F T T" Ti 0.22094491 0.30205975 0.18190327 -12.79368314 -0.40644490 -1.56464083 Ti 1.32183498 1.71219253 -0.07514625 12.99074164 -4.16976650 1.90202381 Ti 1.62990665 -0.21779550 1.78278197 15.16884917 4.99445727 -3.78025949 Ti 0.06210000 1.68215332 1.32702941 -15.36590767 -0.41824587 3.44287651