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=-15.492043304086064 stress="-0.8133459808429703 -0.0021026186776905995 0.05453048500559672 -0.0021026186776905995 -1.433128069484039 0.011732866782751119 0.05453048500559672 0.011732866782751119 -1.3776942560879837" free_energy=-15.492043304086064 pbc="F T T" Mo 0.16523617 0.03445026 -0.12153834 -15.07515300 -2.14189113 -2.54818596 Mo 1.35733739 1.68360837 -0.08107182 14.13811139 -3.73804223 -1.41036741 Ni 1.45061547 -0.13024458 1.40603634 4.06597420 3.43806399 0.04579969 Ni 0.20359985 1.24650703 1.22822113 -3.12893259 2.44186937 3.91275368