# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgCu2W # 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 2024-04-11 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.142708811e+02 2.142708811e+02 1.30 1.973291357e+02 1.973291357e+02 1.32 1.817233383e+02 1.817233383e+02 1.34 1.673448248e+02 1.673448248e+02 1.36 1.540912791e+02 1.540912791e+02 1.38 1.418664822e+02 1.418664822e+02 1.40 1.305811888e+02 1.305811888e+02 1.42 1.201545011e+02 1.201545011e+02 1.44 1.105143346e+02 1.105143346e+02 1.46 1.015965277e+02 1.015965277e+02 1.48 9.334343341e+01 9.334343341e+01 1.50 8.570295505e+01 8.570295505e+01 1.52 7.862814923e+01 7.862814923e+01 1.54 7.207685740e+01 7.207685740e+01 1.56 6.601103463e+01 6.601103463e+01 1.58 6.039603048e+01 6.039603048e+01 1.60 5.520018350e+01 5.520018350e+01 1.62 5.039468251e+01 5.039468251e+01 1.64 4.595344970e+01 4.595344970e+01 1.66 4.185311572e+01 4.185311572e+01 1.68 3.807131928e+01 3.807131928e+01 1.70 3.458653492e+01 3.458653492e+01 1.72 3.137827312e+01 3.137827312e+01 1.74 2.842699975e+01 2.842699975e+01 1.76 2.571191899e+01 2.571191899e+01 1.78 2.321262864e+01 2.321262864e+01 1.80 2.090968616e+01 2.090968616e+01 1.82 1.878509380e+01 1.878509380e+01 1.84 1.682277517e+01 1.682277517e+01 1.86 1.500881282e+01 1.500881282e+01 1.88 1.333139442e+01 1.333139442e+01 1.90 1.178051881e+01 1.178051881e+01 1.92 1.034757996e+01 1.034757996e+01 1.94 9.024958568e+00 9.024958568e+00 1.96 7.805708636e+00 7.805708636e+00 1.98 6.683357405e+00 6.683357405e+00 2.00 5.651785040e+00 5.651785040e+00 2.02 4.705139775e+00 4.705139775e+00 2.04 3.837763866e+00 3.837763866e+00 2.06 3.044129880e+00 3.044129880e+00 2.08 2.318801236e+00 2.318801236e+00 2.10 1.656432668e+00 1.656432668e+00 2.12 1.051816509e+00 1.051816509e+00 2.14 4.999646903e-01 4.999646903e-01 2.16 -3.796844594e-03 -3.796844594e-03 2.18 -4.637483528e-01 -4.637483528e-01 2.20 -8.836358628e-01 -8.836358628e-01 2.22 -1.266876926e+00 -1.266876926e+00 2.24 -1.616668425e+00 -1.616668425e+00 2.26 -1.935800985e+00 -1.935800985e+00 2.28 -2.226748811e+00 -2.226748811e+00 2.30 -2.491753467e+00 -2.491753467e+00 2.32 -2.732778691e+00 -2.732778691e+00 2.34 -2.951264090e+00 -2.951264090e+00 2.36 -3.148568814e+00 -3.148568814e+00 2.38 -3.326040660e+00 -3.326040660e+00 2.40 -3.484953479e+00 -3.484953479e+00 2.42 -3.626478278e+00 -3.626478278e+00 2.44 -3.751684663e+00 -3.751684663e+00 2.46 -3.861560359e+00 -3.861560359e+00 2.48 -3.957035192e+00 -3.957035192e+00 2.50 -4.039000208e+00 -4.039000208e+00 2.52 -4.108318438e+00 -4.108318438e+00 2.54 -4.165828261e+00 -4.165828261e+00 2.56 -4.212342434e+00 -4.212342434e+00 2.58 -4.248645949e+00 -4.248645949e+00 2.60 -4.275494538e+00 -4.275494538e+00 2.62 -4.293614221e+00 -4.293614221e+00 2.64 -4.303701452e+00 -4.303701452e+00 2.66 -4.306423263e+00 -4.306423263e+00 2.68 -4.302416826e+00 -4.302416826e+00 2.70 -4.292287513e+00 -4.292287513e+00 2.72 -4.276604676e+00 -4.276604676e+00 2.74 -4.256243197e+00 -4.256243197e+00 2.76 -4.231652334e+00 -4.231652334e+00 2.78 -4.202801763e+00 -4.202801763e+00 2.80 -4.169703148e+00 -4.169703148e+00 2.82 -4.132488574e+00 -4.132488574e+00 2.84 -4.091247097e+00 -4.091247097e+00 2.86 -4.045853450e+00 -4.045853450e+00 2.88 -3.996234021e+00 -3.996234021e+00 2.90 -3.942384633e+00 -3.942384633e+00 2.92 -3.884407100e+00 -3.884407100e+00 2.94 -3.822483829e+00 -3.822483829e+00 2.96 -3.756883851e+00 -3.756883851e+00 2.98 -3.687937323e+00 -3.687937323e+00 3.00 -3.616025279e+00 -3.616025279e+00 3.02 -3.541568640e+00 -3.541568640e+00 3.04 -3.465011863e+00 -3.465011863e+00 3.06 -3.386802497e+00 -3.386802497e+00 3.08 -3.307368702e+00 -3.307368702e+00 3.10 -3.227097466e+00 -3.227097466e+00 3.12 -3.146316309e+00 -3.146316309e+00 3.14 -3.065280878e+00 -3.065280878e+00 3.16 -2.984169819e+00 -2.984169819e+00 3.18 -2.903087189e+00 -2.903087189e+00 3.20 -2.822071491e+00 -2.822071491e+00 3.22 -2.741109767e+00 -2.741109767e+00 3.24 -2.660154849e+00 -2.660154849e+00 3.26 -2.579144017e+00 -2.579144017e+00 3.28 -2.498017532e+00 -2.498017532e+00 3.30 -2.416735826e+00 -2.416735826e+00 3.32 -2.335294319e+00 -2.335294319e+00 3.34 -2.253735030e+00 -2.253735030e+00 3.36 -2.172154234e+00 -2.172154234e+00 3.38 -2.090705640e+00 -2.090705640e+00 3.40 -2.009598779e+00 -2.009598779e+00 3.42 -1.929092655e+00 -1.929092655e+00 3.44 -1.849485081e+00 -1.849485081e+00 3.46 -1.771098575e+00 -1.771098575e+00 3.48 -1.694264000e+00 -1.694264000e+00 3.50 -1.619303446e+00 -1.619303446e+00 3.52 -1.546513886e+00 -1.546513886e+00 3.54 -1.476153063e+00 -1.476153063e+00 3.56 -1.408428735e+00 -1.408428735e+00 3.58 -1.343492004e+00 -1.343492004e+00 3.60 -1.281434943e+00 -1.281434943e+00 3.62 -1.222292282e+00 -1.222292282e+00 3.64 -1.166046541e+00 -1.166046541e+00 3.66 -1.112635748e+00 -1.112635748e+00 3.68 -1.061962807e+00 -1.061962807e+00 3.70 -1.013905570e+00 -1.013905570e+00 3.72 -9.683267872e-01 -9.683267872e-01 3.74 -9.250832119e-01 -9.250832119e-01 3.76 -8.840333153e-01 -8.840333153e-01 3.78 -8.450431875e-01 -8.450431875e-01 3.80 -8.079903745e-01 -8.079903745e-01 3.82 -7.727655788e-01 -7.727655788e-01 3.84 -7.392723512e-01 -7.392723512e-01 3.86 -7.074251222e-01 -7.074251222e-01 3.88 -6.771461043e-01 -6.771461043e-01 3.90 -6.483617099e-01 -6.483617099e-01 3.92 -6.209991340e-01 -6.209991340e-01 3.94 -5.949836332e-01 -5.949836332e-01 3.96 -5.702368199e-01 -5.702368199e-01 3.98 -5.466760673e-01 -5.466760673e-01 4.00 -5.242148943e-01 -5.242148943e-01 4.02 -5.027640766e-01 -5.027640766e-01 4.04 -4.822331758e-01 -4.822331758e-01 4.06 -4.625322109e-01 -4.625322109e-01 4.08 -4.435732650e-01 -4.435732650e-01 4.10 -4.252719118e-01 -4.252719118e-01 4.12 -4.075484314e-01 -4.075484314e-01 4.14 -3.903288217e-01 -3.903288217e-01 4.16 -3.735456811e-01 -3.735456811e-01 4.18 -3.571390085e-01 -3.571390085e-01 4.20 -3.410569794e-01 -3.410569794e-01 4.22 -3.252567247e-01 -3.252567247e-01 4.24 -3.097051115e-01 -3.097051115e-01 4.26 -2.943794860e-01 -2.943794860e-01 4.28 -2.792683122e-01 -2.792683122e-01 4.30 -2.643716072e-01 -2.643716072e-01 4.32 -2.497010603e-01 -2.497010603e-01 4.34 -2.352797181e-01 -2.352797181e-01 4.36 -2.211411315e-01 -2.211411315e-01 4.38 -2.073278936e-01 -2.073278936e-01 4.40 -1.938895532e-01 -1.938895532e-01 4.42 -1.808799569e-01 -1.808799569e-01 4.44 -1.683541576e-01 -1.683541576e-01 4.46 -1.563651024e-01 -1.563651024e-01 4.48 -1.449603728e-01 -1.449603728e-01 4.50 -1.341792711e-01 -1.341792711e-01 4.52 -1.240505223e-01 -1.240505223e-01 4.54 -1.145907925e-01 -1.145907925e-01 4.56 -1.058041197e-01 -1.058041197e-01 4.58 -9.768223981e-02 -9.768223981e-02 4.60 -9.020568699e-02 -9.020568699e-02 4.62 -8.334547432e-02 -8.334547432e-02 4.64 -7.706512736e-02 -7.706512736e-02 4.66 -7.132284715e-02 -7.132284715e-02 4.68 -6.607361820e-02 -6.607361820e-02 4.70 -6.127111886e-02 -6.127111886e-02 4.72 -5.686909417e-02 -5.686909417e-02 4.74 -5.282297747e-02 -5.282297747e-02 4.76 -4.909136205e-02 -4.909136205e-02 4.78 -4.563612288e-02 -4.563612288e-02 4.80 -4.242278206e-02 -4.242278206e-02 4.82 -3.942084919e-02 -3.942084919e-02 4.84 -3.660396127e-02 -3.660396127e-02 4.86 -3.394987971e-02 -3.394987971e-02 4.88 -3.144036731e-02 -3.144036731e-02 4.90 -2.906097174e-02 -2.906097174e-02 4.92 -2.680072910e-02 -2.680072910e-02 4.94 -2.465179744e-02 -2.465179744e-02 4.96 -2.260902908e-02 -2.260902908e-02 4.98 -2.066949404e-02 -2.066949404e-02 5.00 -1.883196882e-02 -1.883196882e-02 5.02 -1.709641122e-02 -1.709641122e-02 5.04 -1.546344569e-02 -1.546344569e-02 5.06 -1.393388558e-02 -1.393388558e-02 5.08 -1.250823302e-02 -1.250823302e-02 5.10 -1.118636220e-02 -1.118636220e-02 5.12 -9.967621353e-03 -9.967621353e-03 5.14 -8.850402387e-03 -8.850402387e-03 5.16 -7.832088750e-03 -7.832088750e-03 5.18 -6.909102592e-03 -6.909102592e-03 5.20 -6.077017170e-03 -6.077017170e-03 5.22 -5.330713494e-03 -5.330713494e-03 5.24 -4.664560502e-03 -4.664560502e-03 5.26 -4.072600541e-03 -4.072600541e-03 5.28 -3.548725693e-03 -3.548725693e-03 5.30 -3.086834774e-03 -3.086834774e-03 5.32 -2.680965012e-03 -2.680965012e-03 5.34 -2.325395942e-03 -2.325395942e-03 5.36 -2.014725864e-03 -2.014725864e-03 5.38 -1.743923061e-03 -1.743923061e-03 5.40 -1.508355128e-03 -1.508355128e-03 5.42 -1.303800268e-03 -1.303800268e-03 5.44 -1.126444428e-03 -1.126444428e-03 5.46 -9.728678798e-04 -9.728678798e-04 5.48 -8.400244189e-04 -8.400244189e-04 5.50 -7.252158140e-04 -7.252158140e-04 5.52 -6.260636341e-04 -6.260636341e-04 5.54 -5.404800754e-04 -5.404800754e-04 5.56 -4.666389945e-04 -4.666389945e-04 5.58 -4.029479899e-04 -4.029479899e-04 5.60 -3.480220925e-04 -3.480220925e-04 5.62 -3.006593966e-04 -3.006593966e-04 5.64 -2.598187961e-04 -2.598187961e-04 5.66 -2.245998694e-04 -2.245998694e-04 5.68 -1.942248679e-04 -1.942248679e-04 5.70 -1.680227091e-04 -1.680227091e-04 5.72 -1.454148375e-04 -1.454148375e-04 5.74 -1.259028007e-04 -1.259028007e-04 5.76 -1.090573788e-04 -1.090573788e-04 5.78 -9.450910700e-05 -9.450910700e-05 5.80 -8.194003834e-05 -8.194003834e-05 5.82 -7.107660194e-05 -7.107660194e-05 5.84 -6.168342379e-05 -6.168342379e-05 5.86 -5.355798999e-05 -5.355798999e-05 5.88 -4.652604411e-05 -4.652604411e-05 5.90 -4.043762225e-05 -4.043762225e-05 5.92 -3.516364074e-05 -3.516364074e-05 5.94 -3.059296168e-05 -3.059296168e-05 5.96 -2.662987075e-05 -2.662987075e-05 5.98 -2.319191049e-05 -2.319191049e-05 6.00 -2.020801940e-05 -2.020801940e-05