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=3.2746441845984524 stress="-2.204366569469856 0.2499755980205945 0.16766197664807575 0.2499755980205945 -1.8482587001124096 0.060078944314695557 0.16766197664807575 0.060078944314695557 -1.3408474255280165" free_energy=3.2746441845984524 pbc="T F T" Ti 0.18292312 0.00795275 2.74043896 -8.51544652 -21.21418871 16.44040082 Ti 1.71547056 1.51635763 2.86828723 2.50419185 16.94730679 12.51620210 Ni 1.42773702 0.04797327 1.65944719 14.09409832 -13.87636097 -14.43621835 Ni 0.25900491 1.38008494 1.75685297 -8.08284365 18.14324289 -14.52038457