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=17.520638238954866 stress="-2.4286483646465773 -0.2909643002306827 -0.3297189134919285 -0.2909643002306827 -2.4457639161668236 0.5140364038874778 -0.3297189134919285 0.5140364038874778 -3.206040064312155" pbc="F F T" Ti 0.21211731 0.29594673 0.21042663 -28.78947172 -36.81851998 -7.22442037 Ti 1.49042854 1.35687199 0.20775101 26.73972376 36.20522387 -11.58606946 Ti 1.74122900 0.02201293 1.31634348 18.69662133 -22.57613814 15.83527692 Ti 0.04376171 1.22051529 1.69273990 -16.64687337 23.18943424 2.97521291