# 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 = Co2NiW # 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 1.853291081e+02 1.853291081e+02 1.30 1.699055121e+02 1.699055121e+02 1.32 1.557353189e+02 1.557353189e+02 1.34 1.427098236e+02 1.427098236e+02 1.36 1.307290148e+02 1.307290148e+02 1.38 1.197017675e+02 1.197017675e+02 1.40 1.095458171e+02 1.095458171e+02 1.42 1.001875093e+02 1.001875093e+02 1.44 9.156091804e+01 9.156091804e+01 1.46 8.360658605e+01 8.360658605e+01 1.48 7.627063065e+01 7.627063065e+01 1.50 6.950432862e+01 6.950432862e+01 1.52 6.326372735e+01 6.326372735e+01 1.54 5.750911725e+01 5.750911725e+01 1.56 5.220448439e+01 5.220448439e+01 1.58 4.731695800e+01 4.731695800e+01 1.60 4.281625619e+01 4.281625619e+01 1.62 3.867421283e+01 3.867421283e+01 1.64 3.486441762e+01 3.486441762e+01 1.66 3.136195814e+01 3.136195814e+01 1.68 2.814332974e+01 2.814332974e+01 1.70 2.518694661e+01 2.518694661e+01 1.72 2.247204847e+01 2.247204847e+01 1.74 1.997876739e+01 1.997876739e+01 1.76 1.768838921e+01 1.768838921e+01 1.78 1.558489070e+01 1.558489070e+01 1.80 1.365268346e+01 1.365268346e+01 1.82 1.187733756e+01 1.187733756e+01 1.84 1.024621792e+01 1.024621792e+01 1.86 8.748347120e+00 8.748347120e+00 1.88 7.374121167e+00 7.374121167e+00 1.90 6.114957349e+00 6.114957349e+00 1.92 4.962958075e+00 4.962958075e+00 1.94 3.910664902e+00 3.910664902e+00 1.96 2.950939903e+00 2.950939903e+00 1.98 2.076957003e+00 2.076957003e+00 2.00 1.282247192e+00 1.282247192e+00 2.02 5.607354776e-01 5.607354776e-01 2.04 -9.327112115e-02 -9.327112115e-02 2.06 -6.851449394e-01 -6.851449394e-01 2.08 -1.220012018e+00 -1.220012018e+00 2.10 -1.702796369e+00 -1.702796369e+00 2.12 -2.138212699e+00 -2.138212699e+00 2.14 -2.530713196e+00 -2.530713196e+00 2.16 -2.884411437e+00 -2.884411437e+00 2.18 -3.203012514e+00 -3.203012514e+00 2.20 -3.489774594e+00 -3.489774594e+00 2.22 -3.747504468e+00 -3.747504468e+00 2.24 -3.978499410e+00 -3.978499410e+00 2.26 -4.184984853e+00 -4.184984853e+00 2.28 -4.368963452e+00 -4.368963452e+00 2.30 -4.532199107e+00 -4.532199107e+00 2.32 -4.676286581e+00 -4.676286581e+00 2.34 -4.802698129e+00 -4.802698129e+00 2.36 -4.912708649e+00 -4.912708649e+00 2.38 -5.007189168e+00 -5.007189168e+00 2.40 -5.086967593e+00 -5.086967593e+00 2.42 -5.152880218e+00 -5.152880218e+00 2.44 -5.205742586e+00 -5.205742586e+00 2.46 -5.246341683e+00 -5.246341683e+00 2.48 -5.275439541e+00 -5.275439541e+00 2.50 -5.293780290e+00 -5.293780290e+00 2.52 -5.302097351e+00 -5.302097351e+00 2.54 -5.301120749e+00 -5.301120749e+00 2.56 -5.291584143e+00 -5.291584143e+00 2.58 -5.274224310e+00 -5.274224310e+00 2.60 -5.249848519e+00 -5.249848519e+00 2.62 -5.219157875e+00 -5.219157875e+00 2.64 -5.182730401e+00 -5.182730401e+00 2.66 -5.141095857e+00 -5.141095857e+00 2.68 -5.094722285e+00 -5.094722285e+00 2.70 -5.043918253e+00 -5.043918253e+00 2.72 -4.988804181e+00 -4.988804181e+00 2.74 -4.929504672e+00 -4.929504672e+00 2.76 -4.866147700e+00 -4.866147700e+00 2.78 -4.798782702e+00 -4.798782702e+00 2.80 -4.727467799e+00 -4.727467799e+00 2.82 -4.652298287e+00 -4.652298287e+00 2.84 -4.573396914e+00 -4.573396914e+00 2.86 -4.490909481e+00 -4.490909481e+00 2.88 -4.405005740e+00 -4.405005740e+00 2.90 -4.315884427e+00 -4.315884427e+00 2.92 -4.223780509e+00 -4.223780509e+00 2.94 -4.128972443e+00 -4.128972443e+00 2.96 -4.031787313e+00 -4.031787313e+00 2.98 -3.932601773e+00 -3.932601773e+00 3.00 -3.831837094e+00 -3.831837094e+00 3.02 -3.729947218e+00 -3.729947218e+00 3.04 -3.627399926e+00 -3.627399926e+00 3.06 -3.524652851e+00 -3.524652851e+00 3.08 -3.422127787e+00 -3.422127787e+00 3.10 -3.320187675e+00 -3.320187675e+00 3.12 -3.219120334e+00 -3.219120334e+00 3.14 -3.119131325e+00 -3.119131325e+00 3.16 -3.020346080e+00 -3.020346080e+00 3.18 -2.922819571e+00 -2.922819571e+00 3.20 -2.826550858e+00 -2.826550858e+00 3.22 -2.731499893e+00 -2.731499893e+00 3.24 -2.637604518e+00 -2.637604518e+00 3.26 -2.544796360e+00 -2.544796360e+00 3.28 -2.453014883e+00 -2.453014883e+00 3.30 -2.362219267e+00 -2.362219267e+00 3.32 -2.272397953e+00 -2.272397953e+00 3.34 -2.183575717e+00 -2.183575717e+00 3.36 -2.095818098e+00 -2.095818098e+00 3.38 -2.009232978e+00 -2.009232978e+00 3.40 -1.923969091e+00 -1.923969091e+00 3.42 -1.840211381e+00 -1.840211381e+00 3.44 -1.758173305e+00 -1.758173305e+00 3.46 -1.678086504e+00 -1.678086504e+00 3.48 -1.600188560e+00 -1.600188560e+00 3.50 -1.524709855e+00 -1.524709855e+00 3.52 -1.451860719e+00 -1.451860719e+00 3.54 -1.381820053e+00 -1.381820053e+00 3.56 -1.314726419e+00 -1.314726419e+00 3.58 -1.250672290e+00 -1.250672290e+00 3.60 -1.189701735e+00 -1.189701735e+00 3.62 -1.131811405e+00 -1.131811405e+00 3.64 -1.076954367e+00 -1.076954367e+00 3.66 -1.025046111e+00 -1.025046111e+00 3.68 -9.759719611e-01 -9.759719611e-01 3.70 -9.295951517e-01 -9.295951517e-01 3.72 -8.857649261e-01 -8.857649261e-01 3.74 -8.443241342e-01 -8.443241342e-01 3.76 -8.051159506e-01 -8.051159506e-01 3.78 -7.679894353e-01 -7.679894353e-01 3.80 -7.328037499e-01 -7.328037499e-01 3.82 -6.994309127e-01 -6.994309127e-01 3.84 -6.677570486e-01 -6.677570486e-01 3.86 -6.376821854e-01 -6.376821854e-01 3.88 -6.091187694e-01 -6.091187694e-01 3.90 -5.819892042e-01 -5.819892042e-01 3.92 -5.562228378e-01 -5.562228378e-01 3.94 -5.317528765e-01 -5.317528765e-01 3.96 -5.085136820e-01 -5.085136820e-01 3.98 -4.864387961e-01 -4.864387961e-01 4.00 -4.654598632e-01 -4.654598632e-01 4.02 -4.455064467e-01 -4.455064467e-01 4.04 -4.265065863e-01 -4.265065863e-01 4.06 -4.083878699e-01 -4.083878699e-01 4.08 -3.910787782e-01 -3.910787782e-01 4.10 -3.745100990e-01 -3.745100990e-01 4.12 -3.586162720e-01 -3.586162720e-01 4.14 -3.433365754e-01 -3.433365754e-01 4.16 -3.286161220e-01 -3.286161220e-01 4.18 -3.144066369e-01 -3.144066369e-01 4.20 -3.006670019e-01 -3.006670019e-01 4.22 -2.873635340e-01 -2.873635340e-01 4.24 -2.744699627e-01 -2.744699627e-01 4.26 -2.619670763e-01 -2.619670763e-01 4.28 -2.498420339e-01 -2.498420339e-01 4.30 -2.380873869e-01 -2.380873869e-01 4.32 -2.266999081e-01 -2.266999081e-01 4.34 -2.156793659e-01 -2.156793659e-01 4.36 -2.050273925e-01 -2.050273925e-01 4.38 -1.947465649e-01 -1.947465649e-01 4.40 -1.848397508e-01 -1.848397508e-01 4.42 -1.753096950e-01 -1.753096950e-01 4.44 -1.661587565e-01 -1.661587565e-01 4.46 -1.573886772e-01 -1.573886772e-01 4.48 -1.490002792e-01 -1.490002792e-01 4.50 -1.409930363e-01 -1.409930363e-01 4.52 -1.333645305e-01 -1.333645305e-01 4.54 -1.261098632e-01 -1.261098632e-01 4.56 -1.192211228e-01 -1.192211228e-01 4.58 -1.126870119e-01 -1.126870119e-01 4.60 -1.064927156e-01 -1.064927156e-01 4.62 -1.006200456e-01 -1.006200456e-01 4.64 -9.504784021e-02 -9.504784021e-02 4.66 -8.975229602e-02 -8.975229602e-02 4.68 -8.470850027e-02 -8.470850027e-02 4.70 -7.989100144e-02 -7.989100144e-02 4.72 -7.527447983e-02 -7.527447983e-02 4.74 -7.083468547e-02 -7.083468547e-02 4.76 -6.654930865e-02 -6.654930865e-02 4.78 -6.239876349e-02 -6.239876349e-02 4.80 -5.836686817e-02 -5.836686817e-02 4.82 -5.444140295e-02 -5.444140295e-02 4.84 -5.061451794e-02 -5.061451794e-02 4.86 -4.688295738e-02 -4.688295738e-02 4.88 -4.324805907e-02 -4.324805907e-02 4.90 -3.971549321e-02 -3.971549321e-02 4.92 -3.629471831e-02 -3.629471831e-02 4.94 -3.299815887e-02 -3.299815887e-02 4.96 -2.984014470e-02 -2.984014470e-02 4.98 -2.683568852e-02 -2.683568852e-02 5.00 -2.399921244e-02 -2.399921244e-02 5.02 -2.134334945e-02 -2.134334945e-02 5.04 -1.887793873e-02 -1.887793873e-02 5.06 -1.660930986e-02 -1.660930986e-02 5.08 -1.453968266e-02 -1.453968266e-02 5.10 -1.266743612e-02 -1.266743612e-02 5.12 -1.098773426e-02 -1.098773426e-02 5.14 -9.492496308e-03 -9.492496308e-03 5.16 -8.171071216e-03 -8.171071216e-03 5.18 -7.010973181e-03 -7.010973181e-03 5.20 -5.998596551e-03 -5.998596551e-03 5.22 -5.119856015e-03 -5.119856015e-03 5.24 -4.360720220e-03 -4.360720220e-03 5.26 -3.707626372e-03 -3.707626372e-03 5.28 -3.147778137e-03 -3.147778137e-03 5.30 -2.669338822e-03 -2.669338822e-03 5.32 -2.261536903e-03 -2.261536903e-03 5.34 -1.914702534e-03 -1.914702534e-03 5.36 -1.620252919e-03 -1.620252919e-03 5.38 -1.370642193e-03 -1.370642193e-03 5.40 -1.159288787e-03 -1.159288787e-03 5.42 -9.804903597e-04 -9.804903597e-04 5.44 -8.293338070e-04 -8.293338070e-04 5.46 -7.016056555e-04 -7.016056555e-04 5.48 -5.937063495e-04 -5.937063495e-04 5.50 -5.025705859e-04 -5.025705859e-04 5.52 -4.255948349e-04 -4.255948349e-04 5.54 -3.605724711e-04 -3.605724711e-04 5.56 -3.056364570e-04 -3.056364570e-04 5.58 -2.592092143e-04 -2.592092143e-04 5.60 -2.199591399e-04 -2.199591399e-04 5.62 -1.867631349e-04 -1.867631349e-04 5.64 -1.586744883e-04 -1.586744883e-04 5.66 -1.348954698e-04 -1.348954698e-04 5.68 -1.147540243e-04 -1.147540243e-04 5.70 -9.768401162e-05 -9.768401162e-05 5.72 -8.320848989e-05 -8.320848989e-05 5.74 -7.092560054e-05 -7.092560054e-05 5.76 -6.049666720e-05 -6.049666720e-05 5.78 -5.163617253e-05 -5.163617253e-05 5.80 -4.410332406e-05 -4.410332406e-05 5.82 -3.769496123e-05 -3.769496123e-05 5.84 -3.223959315e-05 -3.223959315e-05 5.86 -2.759238780e-05 -2.759238780e-05 5.88 -2.363096156e-05 -2.363096156e-05 5.90 -2.025184096e-05 -2.025184096e-05 5.92 -1.736748916e-05 -1.736748916e-05 5.94 -1.490380641e-05 -1.490380641e-05 5.96 -1.279802831e-05 -1.279802831e-05 5.98 -1.099695813e-05 -1.099695813e-05 6.00 -9.455479290e-06 -9.455479290e-06