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=2.3066433287004107 stress="-2.8499179813919433 0.3698623406153865 -0.03003437101652491 0.3698623406153865 -2.5341088954903586 0.03527277927246033 -0.03003437101652491 0.03527277927246033 -2.094508602688312" free_energy=2.3066433287004107 pbc="T T T" Ni 0.20384132 2.79224623 2.73214964 -12.17706181 8.86173373 4.68927966 Ni 1.50041025 1.75551247 2.85444624 10.24607900 -13.06949571 3.47236501 Ti 1.49188881 0.06482696 1.34620060 4.32213353 -3.60049338 -3.38671965 Ti 0.01821382 1.20575425 1.46963223 -2.39115073 7.80825536 -4.77492502