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:Z:I:1:forces:R:3 energy=-4.10399839305942 pbc="F F T" Ti 0.21219253 -0.07514625 0.12990665 22 -8.20150849 -8.41679763 -2.05449876 Ti 1.28220450 1.78278197 0.06210000 22 9.12059497 7.61031178 -1.73301282 Ti 1.63362859 -0.17297059 1.47514463 22 8.89967997 -5.00897564 1.41785561 Ti 0.04852473 1.55473499 1.41561068 22 -9.81876644 5.81546149 2.36965597