# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al # implementation = 1996--Farkas-D--Nb-Ti-Al--LAMMPS--ipr1 # composition = AlNbTi2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 1.323885239e+05 1.323885239e+05 1.08 1.196282417e+05 1.196282417e+05 1.10 1.082682461e+05 1.082682461e+05 1.12 9.812998925e+04 9.812998925e+04 1.14 8.906342330e+04 8.906342330e+04 1.16 8.094225838e+04 8.094225838e+04 1.18 7.365609105e+04 7.365609105e+04 1.20 6.710310370e+04 6.710310370e+04 1.22 6.119728402e+04 6.119728402e+04 1.24 5.586621121e+04 5.586621121e+04 1.26 5.104743298e+04 5.104743298e+04 1.28 4.668515190e+04 4.668515190e+04 1.30 4.273171372e+04 4.273171372e+04 1.32 3.913848380e+04 3.913848380e+04 1.34 3.586152276e+04 3.586152276e+04 1.36 3.286665540e+04 3.286665540e+04 1.38 3.012402833e+04 3.012402833e+04 1.40 2.760627473e+04 2.760627473e+04 1.42 2.528894405e+04 2.528894405e+04 1.44 2.315243322e+04 2.315243322e+04 1.46 2.118028948e+04 2.118028948e+04 1.48 1.935767580e+04 1.935767580e+04 1.50 1.767091208e+04 1.767091208e+04 1.52 1.610801054e+04 1.610801054e+04 1.54 1.465834253e+04 1.465834253e+04 1.56 1.331245350e+04 1.331245350e+04 1.58 1.206202876e+04 1.206202876e+04 1.60 1.089953847e+04 1.089953847e+04 1.62 9.818279025e+03 9.818279025e+03 1.64 8.812182931e+03 8.812182931e+03 1.66 7.875813181e+03 7.875813181e+03 1.68 7.004385915e+03 7.004385915e+03 1.70 6.193588998e+03 6.193588998e+03 1.72 5.438788944e+03 5.438788944e+03 1.74 4.736365716e+03 4.736365716e+03 1.76 4.081225655e+03 4.081225655e+03 1.78 3.467203681e+03 3.467203681e+03 1.80 2.889579075e+03 2.889579075e+03 1.82 2.345158337e+03 2.345158337e+03 1.84 1.833180035e+03 1.833180035e+03 1.86 1.350503768e+03 1.350503768e+03 1.88 9.078573507e+02 9.078573507e+02 1.90 5.804287962e+02 5.804287962e+02 1.92 3.548891205e+02 3.548891205e+02 1.94 2.048577176e+02 2.048577176e+02 1.96 1.095543773e+02 1.095543773e+02 1.98 5.290510265e+01 5.290510265e+01 2.00 2.236288093e+01 2.236288093e+01 2.02 8.320123155e+00 8.320123155e+00 2.04 3.502864683e+00 3.502864683e+00 2.06 2.492781942e+00 2.492781942e+00 2.08 1.978112021e+00 1.978112021e+00 2.10 1.475698841e+00 1.475698841e+00 2.12 9.888770824e-01 9.888770824e-01 2.14 5.195317006e-01 5.195317006e-01 2.16 6.918177590e-02 6.918177590e-02 2.18 -3.609405416e-01 -3.609405416e-01 2.20 -7.692799268e-01 -7.692799268e-01 2.22 -1.155923091e+00 -1.155923091e+00 2.24 -1.522450670e+00 -1.522450670e+00 2.26 -1.867248541e+00 -1.867248541e+00 2.28 -2.190158523e+00 -2.190158523e+00 2.30 -2.492513478e+00 -2.492513478e+00 2.32 -2.773686400e+00 -2.773686400e+00 2.34 -3.085943153e+00 -3.085943153e+00 2.36 -3.344027127e+00 -3.344027127e+00 2.38 -3.434732837e+00 -3.434732837e+00 2.40 -3.657025547e+00 -3.657025547e+00 2.42 -3.862917664e+00 -3.862917664e+00 2.44 -4.052637620e+00 -4.052637620e+00 2.46 -4.226619162e+00 -4.226619162e+00 2.48 -4.385221860e+00 -4.385221860e+00 2.50 -4.528804402e+00 -4.528804402e+00 2.52 -4.657612084e+00 -4.657612084e+00 2.54 -4.771816217e+00 -4.771816217e+00 2.56 -4.871592759e+00 -4.871592759e+00 2.58 -4.958118984e+00 -4.958118984e+00 2.60 -5.033123897e+00 -5.033123897e+00 2.62 -5.097467292e+00 -5.097467292e+00 2.64 -5.151818257e+00 -5.151818257e+00 2.66 -5.196859032e+00 -5.196859032e+00 2.68 -5.233534636e+00 -5.233534636e+00 2.70 -5.262905669e+00 -5.262905669e+00 2.72 -5.286060069e+00 -5.286060069e+00 2.74 -5.304033152e+00 -5.304033152e+00 2.76 -5.317464758e+00 -5.317464758e+00 2.78 -5.324736711e+00 -5.324736711e+00 2.80 -5.326024762e+00 -5.326024762e+00 2.82 -5.321785187e+00 -5.321785187e+00 2.84 -5.312253102e+00 -5.312253102e+00 2.86 -5.297705882e+00 -5.297705882e+00 2.88 -5.278431061e+00 -5.278431061e+00 2.90 -5.254846063e+00 -5.254846063e+00 2.92 -5.227906499e+00 -5.227906499e+00 2.94 -5.198731340e+00 -5.198731340e+00 2.96 -5.168018064e+00 -5.168018064e+00 2.98 -5.136119276e+00 -5.136119276e+00 3.00 -5.103313302e+00 -5.103313302e+00 3.02 -5.069680701e+00 -5.069680701e+00 3.04 -5.035725255e+00 -5.035725255e+00 3.06 -5.040332720e+00 -5.040332720e+00 3.08 -5.024121633e+00 -5.024121633e+00 3.10 -5.004618979e+00 -5.004618979e+00 3.12 -4.982284633e+00 -4.982284633e+00 3.14 -4.957793897e+00 -4.957793897e+00 3.16 -4.931210826e+00 -4.931210826e+00 3.18 -4.902622066e+00 -4.902622066e+00 3.20 -4.872090507e+00 -4.872090507e+00 3.22 -4.839657524e+00 -4.839657524e+00 3.24 -4.805346438e+00 -4.805346438e+00 3.26 -4.769171100e+00 -4.769171100e+00 3.28 -4.731186783e+00 -4.731186783e+00 3.30 -4.691483341e+00 -4.691483341e+00 3.32 -4.650190281e+00 -4.650190281e+00 3.34 -4.607471978e+00 -4.607471978e+00 3.36 -4.563495626e+00 -4.563495626e+00 3.38 -4.518433424e+00 -4.518433424e+00 3.40 -4.472460112e+00 -4.472460112e+00 3.42 -4.425622609e+00 -4.425622609e+00 3.44 -4.377880337e+00 -4.377880337e+00 3.46 -4.329325706e+00 -4.329325706e+00 3.48 -4.280051109e+00 -4.280051109e+00 3.50 -4.230143606e+00 -4.230143606e+00 3.52 -4.179688614e+00 -4.179688614e+00 3.54 -4.128771200e+00 -4.128771200e+00 3.56 -4.077471041e+00 -4.077471041e+00 3.58 -4.025865138e+00 -4.025865138e+00 3.60 -3.974024193e+00 -3.974024193e+00 3.62 -3.921876798e+00 -3.921876798e+00 3.64 -3.869336692e+00 -3.869336692e+00 3.66 -3.816451443e+00 -3.816451443e+00 3.68 -3.763445486e+00 -3.763445486e+00 3.70 -3.710435126e+00 -3.710435126e+00 3.72 -3.657470892e+00 -3.657470892e+00 3.74 -3.604597648e+00 -3.604597648e+00 3.76 -3.551853629e+00 -3.551853629e+00 3.78 -3.499273345e+00 -3.499273345e+00 3.80 -3.446947950e+00 -3.446947950e+00 3.82 -3.395024516e+00 -3.395024516e+00 3.84 -3.343647086e+00 -3.343647086e+00 3.86 -3.292311917e+00 -3.292311917e+00 3.88 -3.237955644e+00 -3.237955644e+00 3.90 -3.180823144e+00 -3.180823144e+00 3.92 -3.121199105e+00 -3.121199105e+00 3.94 -3.059420605e+00 -3.059420605e+00 3.96 -2.995934641e+00 -2.995934641e+00 3.98 -2.931152387e+00 -2.931152387e+00 4.00 -2.865450548e+00 -2.865450548e+00 4.02 -2.799177736e+00 -2.799177736e+00 4.04 -2.732652336e+00 -2.732652336e+00 4.06 -2.666167396e+00 -2.666167396e+00 4.08 -2.599991393e+00 -2.599991393e+00 4.10 -2.534369272e+00 -2.534369272e+00 4.12 -2.359914998e+00 -2.359914998e+00 4.14 -2.296923821e+00 -2.296923821e+00 4.16 -2.234893168e+00 -2.234893168e+00 4.18 -2.173856296e+00 -2.173856296e+00 4.20 -2.113938618e+00 -2.113938618e+00 4.22 -2.055264947e+00 -2.055264947e+00 4.24 -1.997934015e+00 -1.997934015e+00 4.26 -1.942004063e+00 -1.942004063e+00 4.28 -1.887520702e+00 -1.887520702e+00 4.30 -1.834516591e+00 -1.834516591e+00 4.32 -1.782997835e+00 -1.782997835e+00 4.34 -1.732947414e+00 -1.732947414e+00 4.36 -1.684345111e+00 -1.684345111e+00 4.38 -1.637207799e+00 -1.637207799e+00 4.40 -1.591562146e+00 -1.591562146e+00 4.42 -1.547433497e+00 -1.547433497e+00 4.44 -1.504815443e+00 -1.504815443e+00 4.46 -1.463693322e+00 -1.463693322e+00 4.48 -1.424024445e+00 -1.424024445e+00 4.50 -1.385823080e+00 -1.385823080e+00 4.52 -1.348254198e+00 -1.348254198e+00 4.54 -1.311010800e+00 -1.311010800e+00 4.56 -1.274599070e+00 -1.274599070e+00 4.58 -1.239079753e+00 -1.239079753e+00 4.60 -1.204506924e+00 -1.204506924e+00 4.62 -1.170652585e+00 -1.170652585e+00 4.64 -1.137301486e+00 -1.137301486e+00 4.66 -1.104305862e+00 -1.104305862e+00 4.68 -1.071308829e+00 -1.071308829e+00 4.70 -1.038253265e+00 -1.038253265e+00 4.72 -1.005420247e+00 -1.005420247e+00 4.74 -9.730191275e-01 -9.730191275e-01 4.76 -9.412291864e-01 -9.412291864e-01 4.78 -9.107003463e-01 -9.107003463e-01 4.80 -8.819758677e-01 -8.819758677e-01 4.82 -8.547889840e-01 -8.547889840e-01 4.84 -8.291176229e-01 -8.291176229e-01 4.86 -8.050937262e-01 -8.050937262e-01 4.88 -7.827660370e-01 -7.827660370e-01 4.90 -7.615240741e-01 -7.615240741e-01 4.92 -7.404409195e-01 -7.404409195e-01 4.94 -7.187771270e-01 -7.187771270e-01 4.96 -6.961727132e-01 -6.961727132e-01 4.98 -6.727162590e-01 -6.727162590e-01 5.00 -6.479008254e-01 -6.479008254e-01 5.02 -6.213135675e-01 -6.213135675e-01 5.04 -5.926619806e-01 -5.926619806e-01 5.06 -5.619316099e-01 -5.619316099e-01 5.08 -5.297289959e-01 -5.297289959e-01 5.10 -4.966357799e-01 -4.966357799e-01 5.12 -4.631393210e-01 -4.631393210e-01 5.14 -4.296476823e-01 -4.296476823e-01 5.16 -3.964981771e-01 -3.964981771e-01 5.18 -3.637722900e-01 -3.637722900e-01 5.20 -3.316105096e-01 -3.316105096e-01 5.22 -3.003612444e-01 -3.003612444e-01 5.24 -2.703093418e-01 -2.703093418e-01 5.26 -2.416901331e-01 -2.416901331e-01 5.28 -2.146719137e-01 -2.146719137e-01 5.30 -1.892638298e-01 -1.892638298e-01 5.32 -1.655437678e-01 -1.655437678e-01 5.34 -1.433557628e-01 -1.433557628e-01 5.36 -1.226457305e-01 -1.226457305e-01 5.38 -1.033886008e-01 -1.033886008e-01 5.40 -8.557354450e-02 -8.557354450e-02 5.42 -6.919887898e-02 -6.919887898e-02 5.44 -5.426545011e-02 -5.426545011e-02 5.46 -4.077415713e-02 -4.077415713e-02 5.48 -2.872362396e-02 -2.872362396e-02 5.50 -1.819269580e-02 -1.819269580e-02 5.52 -9.194152039e-03 -9.194152039e-03 5.54 -1.537771303e-03 -1.537771303e-03 5.56 4.959711946e-03 4.959711946e-03 5.58 1.047128492e-02 1.047128492e-02 5.60 1.515992430e-02 1.515992430e-02 5.62 1.917702557e-02 1.917702557e-02 5.64 2.266175648e-02 2.266175648e-02 5.66 2.574020069e-02 2.574020069e-02 5.68 2.852384162e-02 2.852384162e-02 5.70 3.092471575e-02 3.092471575e-02 5.72 3.267681021e-02 3.267681021e-02 5.74 3.389568222e-02 3.389568222e-02 5.76 3.469465713e-02 3.469465713e-02 5.78 3.517304131e-02 3.517304131e-02 5.80 3.541577762e-02 3.541577762e-02 5.82 3.549381824e-02 3.549381824e-02 5.84 3.546463540e-02 3.546463540e-02 5.86 2.244660450e-02 2.244660450e-02 5.88 1.911220474e-02 1.911220474e-02 5.90 1.605818493e-02 1.605818493e-02 5.92 1.329687226e-02 1.329687226e-02 5.94 1.083268634e-02 1.083268634e-02 5.96 8.663482146e-03 8.663482146e-03 5.98 6.781811736e-03 6.781811736e-03 6.00 5.176057459e-03 5.176057459e-03