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=22.697553645638507 stress="-90.21602394700227 26.112982831696826 2.413152434564509 26.112982831696826 -77.72222106501349 4.514140847207301 2.413152434564509 4.514140847207301 -66.67342688866685" pbc="F F F" Ti 0.23171545 0.18190327 -0.17816502 -18.42983189 -16.69764468 -22.10777534 Ti 1.71219253 1.42485375 0.12990665 23.77523469 23.71117628 -19.60386463 Ti 1.28220450 0.28278197 1.56210000 47.44398659 -53.89697834 26.72986906 Ti 0.13362859 1.32702941 1.57034430 -52.78938939 46.88344674 14.98177091