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=-37.09362952783205 stress="-0.00044902145220534204 -2.1494496427416804e-05 0.0002002802565803534 -2.1494496427416804e-05 0.0002547805762074514 2.418194394875422e-05 0.0002002802565803534 2.418194394875422e-05 -0.0004851636844493617" free_energy=-37.09362952783205 pbc="F F F" Ni 21.12569908 21.21734744 20.87174021 0.30475973 0.35358097 -0.04059687 Ti 22.23677887 22.51683428 22.77093457 10.31416199 1.43288272 -20.06336419 Ni 23.57842328 20.73155877 20.92113482 -0.21306045 1.23713564 1.05445142 Ni 25.29375489 22.41205768 22.56194135 0.71300388 0.04158317 -1.41304028 Ni 20.87455773 23.76501852 20.75979631 0.88189141 -0.38043225 0.79403903 Ni 22.41814665 25.55114214 22.80899846 -0.10766807 -0.79512824 -2.14919235 Ni 23.96055881 23.71084439 20.87728820 -0.81559656 -0.56368490 0.91987150 Ti 25.48990828 25.24397345 22.29998375 -0.24246951 -0.06821267 0.75482066 Ti 21.23232047 21.14379487 24.24140249 -9.43026624 8.73849711 7.80492872 Ti 22.73672153 22.61017801 25.60895215 -1.71262632 -0.69226684 4.84445988 Ni 23.75381041 21.25912702 23.74222034 1.21329859 -2.63418397 0.40527695 Ti 25.35844045 22.69291102 25.22817044 4.50914943 -2.20339047 2.29717614 Ni 20.91911278 23.99305848 24.13074612 -5.57065902 -10.73060176 7.43142285 Ti 22.67171396 25.38256280 25.07383176 -1.67205112 2.90125048 2.63762888 Ti 23.87930643 23.73253452 24.02826565 1.10398562 3.29570877 -5.57205395 Ti 25.23116772 25.50060624 25.69960282 0.72414663 0.06726226 0.29417161