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=22.697552597158968 stress="-90.21764084630055 26.11414573064765 2.4136736316673506 26.11414573064765 -77.72475740208603 4.515543747003292 2.4136736316673506 4.515543747003292 -66.67567267978872" pbc="F F F" Ti 0.23171545 0.18190327 -0.17816502 -18.42975017 -16.69763282 -22.10795559 Ti 1.71219253 1.42485375 0.12990665 23.77549133 23.71214927 -19.60521303 Ti 1.28220450 0.28278197 1.56210000 47.44503465 -53.89932907 26.73128386 Ti 0.13362859 1.32702941 1.57034430 -52.79077580 46.88481262 14.98188475