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=3.277678466046913 stress="-2.1216452648530035 0.1605369450005313 0.30747156635867307 0.1605369450005313 -2.5237109701213734 0.03439068781828575 0.30747156635867307 0.03439068781828575 -1.6077817601962914" free_energy=3.277678466046913 pbc="T T F" Ni 2.95283623 2.82159205 0.01229390 -4.95243311 -0.01531987 -10.74018014 Ni 1.34628414 1.36859499 0.24339277 11.74928062 0.64868749 -18.41165262 Ti 1.21156333 2.91738082 1.65093924 14.48116818 -7.79305542 10.72255905 V 0.14803915 1.26416454 1.64526935 -21.27801569 7.15968780 18.42927371