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=1.8356024780953826 stress="-0.9656847189346901 -0.16359651856301374 -0.07214447151587318 -0.16359651856301374 -2.2772750377440714 -0.5548299322828982 -0.07214447151587318 -0.5548299322828982 -2.0970102213998034" free_energy=1.8356024780953826 pbc="F T T" Ti 0.03926819 0.23010044 0.09566688 -8.30679270 -8.21939452 -6.04745732 Ni 1.62528982 1.62033173 0.17828948 7.34097434 -15.52542923 -18.36699663 Ni 1.71182891 2.79301824 1.23241985 8.78339283 17.23347841 18.46285890 Ti 0.07255377 1.51129231 1.51258782 -7.81757447 6.51134534 5.95159505