16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-66.849547245071 stress="0.0002191293797700509 0.00020940714939315932 0.00011877209620473638 0.00020940714939315932 0.00011820208321522442 0.0003529616833086736 0.00011877209620473638 0.0003529616833086736 8.242507278445035e-05" free_energy=-66.849547245071 pbc="F F F" Nb 21.06661482 20.89476746 21.06486345 12.67938328 11.12514832 7.45021604 Zr 22.78095696 22.15642761 22.76008946 -6.42859082 1.93675721 -3.62662827 Nb 23.87675974 20.82230465 21.28460712 -6.04127420 -2.99119886 -4.11578207 Nb 25.25346517 22.26772449 22.27715687 4.67987625 0.79649133 -0.17836700 Zr 20.86277990 23.93198894 20.87273599 -0.04455180 -3.71595100 -0.18035656 Zr 22.29546282 25.20940621 22.61893942 -1.30564832 7.02653084 -1.54983898 Nb 23.72956938 23.79091526 21.03926819 -2.75766144 -2.65857946 -3.39398341 Zr 25.73010044 25.43567397 22.52430173 -0.54259283 -0.60227322 2.07796867 Zr 21.12033173 21.17828948 24.21182891 -4.42679911 -3.48464598 -2.79562508 Nb 22.21114470 22.23241985 25.57255377 0.60661223 1.34518994 4.01595201 Zr 24.01129231 21.01258782 24.16911338 2.15729734 -6.90707213 2.05690866 Zr 25.00576114 22.62365747 25.45588739 2.07312867 3.17897134 3.09756958 Nb 21.18510380 23.84681875 23.86894099 -1.89676448 0.33196069 2.85917795 Nb 22.54737131 25.53238783 25.74404962 3.75711837 -6.91141187 -7.69215427 Zr 23.86810690 24.12937675 23.75818085 3.08824058 2.04950452 5.59671800 Nb 25.59119645 25.04935583 25.47523959 -5.59777373 -0.51942170 -3.62177528