# 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 = AlFe2Ni # 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 1.308107384e+02 1.308107384e+02 1.30 1.196618979e+02 1.196618979e+02 1.32 1.094267812e+02 1.094267812e+02 1.34 1.000214469e+02 1.000214469e+02 1.36 9.137324524e+01 9.137324524e+01 1.38 8.342038650e+01 8.342038650e+01 1.40 7.610919156e+01 7.610919156e+01 1.42 6.939087297e+01 6.939087297e+01 1.44 6.321931081e+01 6.321931081e+01 1.46 5.755029252e+01 5.755029252e+01 1.48 5.234207230e+01 5.234207230e+01 1.50 4.755647583e+01 4.755647583e+01 1.52 4.315949270e+01 4.315949270e+01 1.54 3.912087721e+01 3.912087721e+01 1.56 3.541312428e+01 3.541312428e+01 1.58 3.201047097e+01 3.201047097e+01 1.60 2.888819764e+01 2.888819764e+01 1.62 2.602294774e+01 2.602294774e+01 1.64 2.339284535e+01 2.339284535e+01 1.66 2.097944452e+01 2.097944452e+01 1.68 1.876468710e+01 1.876468710e+01 1.70 1.673146864e+01 1.673146864e+01 1.72 1.486457928e+01 1.486457928e+01 1.74 1.315054620e+01 1.315054620e+01 1.76 1.157730729e+01 1.157730729e+01 1.78 1.013390333e+01 1.013390333e+01 1.80 8.810320110e+00 8.810320110e+00 1.82 7.597457930e+00 7.597457930e+00 1.84 6.487109163e+00 6.487109163e+00 1.86 5.471847514e+00 5.471847514e+00 1.88 4.544822509e+00 4.544822509e+00 1.90 3.699519625e+00 3.699519625e+00 1.92 2.929559069e+00 2.929559069e+00 1.94 2.228589472e+00 2.228589472e+00 1.96 1.590303907e+00 1.590303907e+00 1.98 1.008566536e+00 1.008566536e+00 2.00 4.776014485e-01 4.776014485e-01 2.02 -7.819924609e-03 -7.819924609e-03 2.04 -4.522480553e-01 -4.522480553e-01 2.06 -8.595130111e-01 -8.595130111e-01 2.08 -1.232771349e+00 -1.232771349e+00 2.10 -1.574616141e+00 -1.574616141e+00 2.12 -1.887213274e+00 -1.887213274e+00 2.14 -2.172432349e+00 -2.172432349e+00 2.16 -2.431952797e+00 -2.431952797e+00 2.18 -2.667338033e+00 -2.667338033e+00 2.20 -2.880079597e+00 -2.880079597e+00 2.22 -3.071618726e+00 -3.071618726e+00 2.24 -3.243354026e+00 -3.243354026e+00 2.26 -3.396642192e+00 -3.396642192e+00 2.28 -3.532795771e+00 -3.532795771e+00 2.30 -3.653079109e+00 -3.653079109e+00 2.32 -3.758701287e+00 -3.758701287e+00 2.34 -3.850803170e+00 -3.850803170e+00 2.36 -3.930438077e+00 -3.930438077e+00 2.38 -3.998550888e+00 -3.998550888e+00 2.40 -4.055965834e+00 -4.055965834e+00 2.42 -4.103388667e+00 -4.103388667e+00 2.44 -4.141433545e+00 -4.141433545e+00 2.46 -4.170658736e+00 -4.170658736e+00 2.48 -4.191602500e+00 -4.191602500e+00 2.50 -4.204811905e+00 -4.204811905e+00 2.52 -4.210926961e+00 -4.210926961e+00 2.54 -4.211295573e+00 -4.211295573e+00 2.56 -4.206281159e+00 -4.206281159e+00 2.58 -4.196007354e+00 -4.196007354e+00 2.60 -4.180729858e+00 -4.180729858e+00 2.62 -4.160791506e+00 -4.160791506e+00 2.64 -4.136575300e+00 -4.136575300e+00 2.66 -4.108426909e+00 -4.108426909e+00 2.68 -4.076411714e+00 -4.076411714e+00 2.70 -4.040520686e+00 -4.040520686e+00 2.72 -4.000787545e+00 -4.000787545e+00 2.74 -3.957283000e+00 -3.957283000e+00 2.76 -3.910114123e+00 -3.910114123e+00 2.78 -3.859422441e+00 -3.859422441e+00 2.80 -3.805379529e+00 -3.805379529e+00 2.82 -3.748180608e+00 -3.748180608e+00 2.84 -3.688037461e+00 -3.688037461e+00 2.86 -3.625171418e+00 -3.625171418e+00 2.88 -3.559806670e+00 -3.559806670e+00 2.90 -3.492164059e+00 -3.492164059e+00 2.92 -3.422455909e+00 -3.422455909e+00 2.94 -3.350882926e+00 -3.350882926e+00 2.96 -3.277634153e+00 -3.277634153e+00 2.98 -3.202890282e+00 -3.202890282e+00 3.00 -3.126829586e+00 -3.126829586e+00 3.02 -3.049634618e+00 -3.049634618e+00 3.04 -2.971497350e+00 -2.971497350e+00 3.06 -2.892620865e+00 -2.892620865e+00 3.08 -2.813216780e+00 -2.813216780e+00 3.10 -2.733499619e+00 -2.733499619e+00 3.12 -2.653680406e+00 -2.653680406e+00 3.14 -2.573962342e+00 -2.573962342e+00 3.16 -2.494540391e+00 -2.494540391e+00 3.18 -2.415605149e+00 -2.415605149e+00 3.20 -2.337349521e+00 -2.337349521e+00 3.22 -2.259975792e+00 -2.259975792e+00 3.24 -2.183700570e+00 -2.183700570e+00 3.26 -2.108755685e+00 -2.108755685e+00 3.28 -2.035384234e+00 -2.035384234e+00 3.30 -1.963832110e+00 -1.963832110e+00 3.32 -1.894336301e+00 -1.894336301e+00 3.34 -1.827111862e+00 -1.827111862e+00 3.36 -1.762339620e+00 -1.762339620e+00 3.38 -1.700156387e+00 -1.700156387e+00 3.40 -1.640648928e+00 -1.640648928e+00 3.42 -1.583852157e+00 -1.583852157e+00 3.44 -1.529751323e+00 -1.529751323e+00 3.46 -1.478287457e+00 -1.478287457e+00 3.48 -1.429364976e+00 -1.429364976e+00 3.50 -1.382860327e+00 -1.382860327e+00 3.52 -1.338630679e+00 -1.338630679e+00 3.54 -1.296521927e+00 -1.296521927e+00 3.56 -1.256375518e+00 -1.256375518e+00 3.58 -1.218033939e+00 -1.218033939e+00 3.60 -1.181344831e+00 -1.181344831e+00 3.62 -1.146163891e+00 -1.146163891e+00 3.64 -1.112356778e+00 -1.112356778e+00 3.66 -1.079800250e+00 -1.079800250e+00 3.68 -1.048382772e+00 -1.048382772e+00 3.70 -1.018004788e+00 -1.018004788e+00 3.72 -9.885788044e-01 -9.885788044e-01 3.74 -9.600293582e-01 -9.600293582e-01 3.76 -9.322929141e-01 -9.322929141e-01 3.78 -9.053176301e-01 -9.053176301e-01 3.80 -8.790629105e-01 -8.790629105e-01 3.82 -8.534986228e-01 -8.534986228e-01 3.84 -8.286038619e-01 -8.286038619e-01 3.86 -8.043651933e-01 -8.043651933e-01 3.88 -7.807744014e-01 -7.807744014e-01 3.90 -7.578258791e-01 -7.578258791e-01 3.92 -7.355139012e-01 -7.355139012e-01 3.94 -7.138301115e-01 -7.138301115e-01 3.96 -6.927614833e-01 -6.927614833e-01 3.98 -6.722890327e-01 -6.722890327e-01 4.00 -6.523873383e-01 -6.523873383e-01 4.02 -6.330248485e-01 -6.330248485e-01 4.04 -6.141648628e-01 -6.141648628e-01 4.06 -5.957669408e-01 -5.957669408e-01 4.08 -5.777882390e-01 -5.777882390e-01 4.10 -5.601859523e-01 -5.601859523e-01 4.12 -5.429188064e-01 -5.429188064e-01 4.14 -5.259482103e-01 -5.259482103e-01 4.16 -5.092398180e-01 -5.092398180e-01 4.18 -4.927648215e-01 -4.927648215e-01 4.20 -4.765010365e-01 -4.765010365e-01 4.22 -4.604337312e-01 -4.604337312e-01 4.24 -4.445561504e-01 -4.445561504e-01 4.26 -4.288696744e-01 -4.288696744e-01 4.28 -4.133835673e-01 -4.133835673e-01 4.30 -3.981142964e-01 -3.981142964e-01 4.32 -3.830844496e-01 -3.830844496e-01 4.34 -3.683213300e-01 -3.683213300e-01 4.36 -3.538553427e-01 -3.538553427e-01 4.38 -3.397183132e-01 -3.397183132e-01 4.40 -3.259418585e-01 -3.259418585e-01 4.42 -3.125559043e-01 -3.125559043e-01 4.44 -2.995873873e-01 -2.995873873e-01 4.46 -2.870591448e-01 -2.870591448e-01 4.48 -2.749889699e-01 -2.749889699e-01 4.50 -2.633888135e-01 -2.633888135e-01 4.52 -2.522641417e-01 -2.522641417e-01 4.54 -2.416134817e-01 -2.416134817e-01 4.56 -2.314282092e-01 -2.314282092e-01 4.58 -2.216926375e-01 -2.216926375e-01 4.60 -2.123844346e-01 -2.123844346e-01 4.62 -2.034752307e-01 -2.034752307e-01 4.64 -1.949318341e-01 -1.949318341e-01 4.66 -1.867177036e-01 -1.867177036e-01 4.68 -1.787939358e-01 -1.787939358e-01 4.70 -1.711207218e-01 -1.711207218e-01 4.72 -1.636587686e-01 -1.636587686e-01 4.74 -1.563706312e-01 -1.563706312e-01 4.76 -1.492219297e-01 -1.492219297e-01 4.78 -1.421824385e-01 -1.421824385e-01 4.80 -1.352270297e-01 -1.352270297e-01 4.82 -1.283364975e-01 -1.283364975e-01 4.84 -1.214981541e-01 -1.214981541e-01 4.86 -1.147062899e-01 -1.147062899e-01 4.88 -1.079623667e-01 -1.079623667e-01 4.90 -1.012749413e-01 -1.012749413e-01 4.92 -9.465927443e-02 -9.465927443e-02 4.94 -8.813660498e-02 -8.813660498e-02 4.96 -8.173309058e-02 -8.173309058e-02 4.98 -7.547845248e-02 -7.547845248e-02 5.00 -6.940439527e-02 -6.940439527e-02 5.02 -6.354290537e-02 -6.354290537e-02 5.04 -5.792455277e-02 -5.792455277e-02 5.06 -5.257692605e-02 -5.257692605e-02 5.08 -4.752331854e-02 -4.752331854e-02 5.10 -4.278175519e-02 -4.278175519e-02 5.12 -3.836441024e-02 -3.836441024e-02 5.14 -3.427742309e-02 -3.427742309e-02 5.16 -3.052108071e-02 -3.052108071e-02 5.18 -2.709029906e-02 -2.709029906e-02 5.20 -2.397532608e-02 -2.397532608e-02 5.22 -2.116258393e-02 -2.116258393e-02 5.24 -1.863556011e-02 -1.863556011e-02 5.26 -1.637564831e-02 -1.637564831e-02 5.28 -1.436239903e-02 -1.436239903e-02 5.30 -1.257567546e-02 -1.257567546e-02 5.32 -1.099555216e-02 -1.099555216e-02 5.34 -9.602428354e-03 -9.602428354e-03 5.36 -8.377448565e-03 -8.377448565e-03 5.38 -7.302795765e-03 -7.302795765e-03 5.40 -6.361877662e-03 -6.361877662e-03 5.42 -5.539427109e-03 -5.539427109e-03 5.44 -4.821536106e-03 -4.821536106e-03 5.46 -4.195640524e-03 -4.195640524e-03 5.48 -3.650469986e-03 -3.650469986e-03 5.50 -3.175974596e-03 -3.175974596e-03 5.52 -2.763237691e-03 -2.763237691e-03 5.54 -2.404381585e-03 -2.404381585e-03 5.56 -2.092471432e-03 -2.092471432e-03 5.58 -1.821420813e-03 -1.821420813e-03 5.60 -1.585901505e-03 -1.585901505e-03 5.62 -1.381258955e-03 -1.381258955e-03 5.64 -1.203434300e-03 -1.203434300e-03 5.66 -1.048893314e-03 -1.048893314e-03 5.68 -9.145622822e-04 -9.145622822e-04 5.70 -7.977705832e-04 -7.977705832e-04 5.72 -6.961996075e-04 -6.961996075e-04 5.74 -6.078375568e-04 -6.078375568e-04 5.76 -5.309396200e-04 -5.309396200e-04 5.78 -4.639930140e-04 -4.639930140e-04 5.80 -4.056863900e-04 -4.056863900e-04 5.82 -3.548831247e-04 -3.548831247e-04 5.84 -3.105980536e-04 -3.105980536e-04 5.86 -2.719772365e-04 -2.719772365e-04 5.88 -2.382803852e-04 -2.382803852e-04 5.90 -2.088656198e-04 -2.088656198e-04 5.92 -1.831762586e-04 -1.831762586e-04 5.94 -1.607293772e-04 -1.607293772e-04 5.96 -1.411059054e-04 -1.411059054e-04 5.98 -1.239420599e-04 -1.239420599e-04 6.00 -1.089219334e-04 -1.089219334e-04