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=10479.796882494475 stress="-149.9374601145302 -1429.0360180071198 -1004.1247286117602 -1429.0360180071198 -15546.458867630152 -9779.789288660237 -1004.1247286117602 -9779.789288660237 -6876.390661721633" free_energy=10479.796882494475 pbc="T T T" Nb 2.53187450 0.19449984 0.28380155 -28328.80630333 -275937.99204535 -193902.29360556 Zr 1.36365755 1.17262962 2.61653590 -9.20520325 3.37836956 2.49181818 Zr 1.73442678 2.74555632 1.61923877 -9.86403797 -2.74388218 0.03172062 Nb 2.67171740 1.63029344 1.24074451 28347.87554455 275937.35755797 193899.77006677