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=12.715732893221723 stress="-2.886877348519524 -0.2270685848065813 -0.09790260260775094 -0.2270685848065813 -3.5773068610133514 -0.027008638889131333 -0.09790260260775094 -0.027008638889131333 -3.87476157106541" free_energy=12.715732893221723 pbc="T T T" Ni 2.76192411 2.96490969 2.76260376 18.76920168 1.25536508 14.64271453 Ni 1.62263099 1.54530481 2.95206007 -11.79074114 -17.18095904 3.85872375 V 1.62593290 2.59295414 1.39901191 -19.14699502 14.77481713 -8.50509517 Ti 2.91812645 1.20122014 1.73212867 12.16853448 1.15077684 -9.99634311