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=18.704947455818473 stress="-2.4039661571149007 0.7536610706231613 0.07998085595701497 0.7536610706231613 -2.740161352202792 0.3031553219631947 0.07998085595701497 0.3031553219631947 -2.41338804702742" free_energy=18.704947455818473 pbc="T F F" Ti 0.23454065 0.03480345 0.03310309 -14.30010895 -13.06972605 -21.59671829 Ni 1.31305510 1.34472026 0.23956773 13.43192357 27.13619046 -24.96656845 V 1.22557373 0.14408857 1.47537525 33.89306144 -48.77306741 29.69398226 Ni 0.20902946 1.29590009 1.66265408 -33.02487607 34.70660300 16.86930447