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=-58.421101540397075 stress="-0.0005147940695097668 -0.00025858049459291416 -6.612244088476404e-05 -0.00025858049459291416 -0.0004827061921822397 -0.0001783781153965393 -6.612244088476404e-05 -0.0001783781153965393 -0.000576067080606929" pbc="F F F" Ni 21.04411894 21.12739585 21.04804746 -7.38965672 -7.44868593 -10.08164509 Ni 22.03177797 22.13048448 22.30822427 11.61415016 13.67037907 6.02634579 Zr 23.74754036 20.81650084 20.95099014 -0.30981526 -0.70762442 0.46754807 Ni 25.20488082 22.25979631 22.78205461 0.71571722 1.52006783 -0.74059844 Ni 21.15570026 24.17046757 21.21156390 -1.15440624 -0.65027664 -0.26915551 Zr 22.41062519 25.37728820 22.78055862 -0.65236991 4.18910486 -1.83808977 Zr 23.45397613 23.55678620 21.23232047 1.36471723 0.08942416 -1.03394748 Zr 25.58724999 25.67401618 22.73672153 1.04619570 0.68582399 -2.29330268 Ni 21.18146686 20.89946208 23.54350815 -3.32479166 -5.40691218 5.39266626 Zr 22.63968131 22.25802103 25.37776427 -6.33655491 5.27349127 5.18055426 Zr 24.05866311 21.02348418 24.11507117 4.27629873 -6.70035955 -5.05401032 Ni 25.62172512 22.13718066 25.61722392 -0.12741150 0.86119833 -0.19354249 Ni 21.20501430 24.09184928 23.91374860 -1.16909259 -2.40389552 0.66429845 Ni 22.39229478 25.65672550 25.43000677 0.24490494 -0.07210547 0.25673684 Zr 24.06799256 24.26554664 24.15599623 -7.64972392 -10.35508323 -5.52524590 Zr 25.42244881 25.43792997 25.28940289 8.85183873 7.45545343 9.04138799