# 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 = CoNiPb2 # 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 2.787621225e+02 2.787621225e+02 1.30 2.594994491e+02 2.594994491e+02 1.32 2.416135708e+02 2.416135708e+02 1.34 2.249964634e+02 2.249964634e+02 1.36 2.095486170e+02 2.095486170e+02 1.38 1.951779051e+02 1.951779051e+02 1.40 1.817998324e+02 1.817998324e+02 1.42 1.693381337e+02 1.693381337e+02 1.44 1.577245100e+02 1.577245100e+02 1.46 1.468975287e+02 1.468975287e+02 1.48 1.368012871e+02 1.368012871e+02 1.50 1.273842149e+02 1.273842149e+02 1.52 1.185981852e+02 1.185981852e+02 1.54 1.103980566e+02 1.103980566e+02 1.56 1.027414820e+02 1.027414820e+02 1.58 9.558893778e+01 9.558893778e+01 1.60 8.890381768e+01 8.890381768e+01 1.62 8.265257486e+01 8.265257486e+01 1.64 7.680473689e+01 7.680473689e+01 1.66 7.133273245e+01 7.133273245e+01 1.68 6.621302112e+01 6.621302112e+01 1.70 6.143516914e+01 6.143516914e+01 1.72 5.697895663e+01 5.697895663e+01 1.74 5.282227068e+01 5.282227068e+01 1.76 4.894439631e+01 4.894439631e+01 1.78 4.532611380e+01 4.532611380e+01 1.80 4.194971174e+01 4.194971174e+01 1.82 3.879890217e+01 3.879890217e+01 1.84 3.585866434e+01 3.585866434e+01 1.86 3.311508401e+01 3.311508401e+01 1.88 3.055522014e+01 3.055522014e+01 1.90 2.816697600e+01 2.816697600e+01 1.92 2.593898260e+01 2.593898260e+01 1.94 2.386055962e+01 2.386055962e+01 1.96 2.192169887e+01 2.192169887e+01 1.98 2.011306410e+01 2.011306410e+01 2.00 1.842595437e+01 1.842595437e+01 2.02 1.685224520e+01 1.685224520e+01 2.04 1.538433990e+01 1.538433990e+01 2.06 1.401515489e+01 1.401515489e+01 2.08 1.273813005e+01 1.273813005e+01 2.10 1.154722545e+01 1.154722545e+01 2.12 1.043690383e+01 1.043690383e+01 2.14 9.402076934e+00 9.402076934e+00 2.16 8.438042031e+00 8.438042031e+00 2.18 7.540419706e+00 7.540419706e+00 2.20 6.705099189e+00 6.705099189e+00 2.22 5.928203316e+00 5.928203316e+00 2.24 5.206068190e+00 5.206068190e+00 2.26 4.535236370e+00 4.535236370e+00 2.28 3.912458027e+00 3.912458027e+00 2.30 3.334686462e+00 3.334686462e+00 2.32 2.799060783e+00 2.799060783e+00 2.34 2.302891052e+00 2.302891052e+00 2.36 1.843623231e+00 1.843623231e+00 2.38 1.418818181e+00 1.418818181e+00 2.40 1.026141280e+00 1.026141280e+00 2.42 6.633665910e-01 6.633665910e-01 2.44 3.283907388e-01 3.283907388e-01 2.46 1.925045532e-02 1.925045532e-02 2.48 -2.658638295e-01 -2.658638295e-01 2.50 -5.286023246e-01 -5.286023246e-01 2.52 -7.704598631e-01 -7.704598631e-01 2.54 -9.928157987e-01 -9.928157987e-01 2.56 -1.196907367e+00 -1.196907367e+00 2.58 -1.383825501e+00 -1.383825501e+00 2.60 -1.554593364e+00 -1.554593364e+00 2.62 -1.710181309e+00 -1.710181309e+00 2.64 -1.851521824e+00 -1.851521824e+00 2.66 -1.979509402e+00 -1.979509402e+00 2.68 -2.095009373e+00 -2.095009373e+00 2.70 -2.198844368e+00 -2.198844368e+00 2.72 -2.291698814e+00 -2.291698814e+00 2.74 -2.374177233e+00 -2.374177233e+00 2.76 -2.446884957e+00 -2.446884957e+00 2.78 -2.510422139e+00 -2.510422139e+00 2.80 -2.565373631e+00 -2.565373631e+00 2.82 -2.612296577e+00 -2.612296577e+00 2.84 -2.651715418e+00 -2.651715418e+00 2.86 -2.684118721e+00 -2.684118721e+00 2.88 -2.709960041e+00 -2.709960041e+00 2.90 -2.729661289e+00 -2.729661289e+00 2.92 -2.743617472e+00 -2.743617472e+00 2.94 -2.752201945e+00 -2.752201945e+00 2.96 -2.755771609e+00 -2.755771609e+00 2.98 -2.754671650e+00 -2.754671650e+00 3.00 -2.749239374e+00 -2.749239374e+00 3.02 -2.739806613e+00 -2.739806613e+00 3.04 -2.726699587e+00 -2.726699587e+00 3.06 -2.710240690e+00 -2.710240690e+00 3.08 -2.690741242e+00 -2.690741242e+00 3.10 -2.668513447e+00 -2.668513447e+00 3.12 -2.643909227e+00 -2.643909227e+00 3.14 -2.617151264e+00 -2.617151264e+00 3.16 -2.588436386e+00 -2.588436386e+00 3.18 -2.557966264e+00 -2.557966264e+00 3.20 -2.525942320e+00 -2.525942320e+00 3.22 -2.492561397e+00 -2.492561397e+00 3.24 -2.458010966e+00 -2.458010966e+00 3.26 -2.422464450e+00 -2.422464450e+00 3.28 -2.386069727e+00 -2.386069727e+00 3.30 -2.348941849e+00 -2.348941849e+00 3.32 -2.311181335e+00 -2.311181335e+00 3.34 -2.272876714e+00 -2.272876714e+00 3.36 -2.234106072e+00 -2.234106072e+00 3.38 -2.194938836e+00 -2.194938836e+00 3.40 -2.155437049e+00 -2.155437049e+00 3.42 -2.115657923e+00 -2.115657923e+00 3.44 -2.075652508e+00 -2.075652508e+00 3.46 -2.035467668e+00 -2.035467668e+00 3.48 -1.995145995e+00 -1.995145995e+00 3.50 -1.954726095e+00 -1.954726095e+00 3.52 -1.914242971e+00 -1.914242971e+00 3.54 -1.873728573e+00 -1.873728573e+00 3.56 -1.833212548e+00 -1.833212548e+00 3.58 -1.792723180e+00 -1.792723180e+00 3.60 -1.752288490e+00 -1.752288490e+00 3.62 -1.711937409e+00 -1.711937409e+00 3.64 -1.671700956e+00 -1.671700956e+00 3.66 -1.631613298e+00 -1.631613298e+00 3.68 -1.591712579e+00 -1.591712579e+00 3.70 -1.552041397e+00 -1.552041397e+00 3.72 -1.512646839e+00 -1.512646839e+00 3.74 -1.473580032e+00 -1.473580032e+00 3.76 -1.434895247e+00 -1.434895247e+00 3.78 -1.396648652e+00 -1.396648652e+00 3.80 -1.358896853e+00 -1.358896853e+00 3.82 -1.321695375e+00 -1.321695375e+00 3.84 -1.285097175e+00 -1.285097175e+00 3.86 -1.249151259e+00 -1.249151259e+00 3.88 -1.213901391e+00 -1.213901391e+00 3.90 -1.179384915e+00 -1.179384915e+00 3.92 -1.145630956e+00 -1.145630956e+00 3.94 -1.112662869e+00 -1.112662869e+00 3.96 -1.080492641e+00 -1.080492641e+00 3.98 -1.049124432e+00 -1.049124432e+00 4.00 -1.018554001e+00 -1.018554001e+00 4.02 -9.887695101e-01 -9.887695101e-01 4.04 -9.597526317e-01 -9.597526317e-01 4.06 -9.314798537e-01 -9.314798537e-01 4.08 -9.039238432e-01 -9.039238432e-01 4.10 -8.770527901e-01 -8.770527901e-01 4.12 -8.508398968e-01 -8.508398968e-01 4.14 -8.252514384e-01 -8.252514384e-01 4.16 -8.002568383e-01 -8.002568383e-01 4.18 -7.758270505e-01 -7.758270505e-01 4.20 -7.519352368e-01 -7.519352368e-01 4.22 -7.285573206e-01 -7.285573206e-01 4.24 -7.056724117e-01 -7.056724117e-01 4.26 -6.832630959e-01 -6.832630959e-01 4.28 -6.613155878e-01 -6.613155878e-01 4.30 -6.398197649e-01 -6.398197649e-01 4.32 -6.187691138e-01 -6.187691138e-01 4.34 -5.981606340e-01 -5.981606340e-01 4.36 -5.779947355e-01 -5.779947355e-01 4.38 -5.582751427e-01 -5.582751427e-01 4.40 -5.390087778e-01 -5.390087778e-01 4.42 -5.202055579e-01 -5.202055579e-01 4.44 -5.018780162e-01 -5.018780162e-01 4.46 -4.840406708e-01 -4.840406708e-01 4.48 -4.667090983e-01 -4.667090983e-01 4.50 -4.498987415e-01 -4.498987415e-01 4.52 -4.336235422e-01 -4.336235422e-01 4.54 -4.178945501e-01 -4.178945501e-01 4.56 -4.027186766e-01 -4.027186766e-01 4.58 -3.880977497e-01 -3.880977497e-01 4.60 -3.740279783e-01 -3.740279783e-01 4.62 -3.604998678e-01 -3.604998678e-01 4.64 -3.474985649e-01 -3.474985649e-01 4.66 -3.350045536e-01 -3.350045536e-01 4.68 -3.229945985e-01 -3.229945985e-01 4.70 -3.114428210e-01 -3.114428210e-01 4.72 -3.003218081e-01 -3.003218081e-01 4.74 -2.896036745e-01 -2.896036745e-01 4.76 -2.792610263e-01 -2.792610263e-01 4.78 -2.692677953e-01 -2.692677953e-01 4.80 -2.595983970e-01 -2.595983970e-01 4.82 -2.502346431e-01 -2.502346431e-01 4.84 -2.411561690e-01 -2.411561690e-01 4.86 -2.323476055e-01 -2.323476055e-01 4.88 -2.237968207e-01 -2.237968207e-01 4.90 -2.154948126e-01 -2.154948126e-01 4.92 -2.074354280e-01 -2.074354280e-01 4.94 -1.996149199e-01 -1.996149199e-01 4.96 -1.920313721e-01 -1.920313721e-01 4.98 -1.846840368e-01 -1.846840368e-01 5.00 -1.775726494e-01 -1.775726494e-01 5.02 -1.706967894e-01 -1.706967894e-01 5.04 -1.640553492e-01 -1.640553492e-01 5.06 -1.576461720e-01 -1.576461720e-01 5.08 -1.514658770e-01 -1.514658770e-01 5.10 -1.455098724e-01 -1.455098724e-01 5.12 -1.397725289e-01 -1.397725289e-01 5.14 -1.342474700e-01 -1.342474700e-01 5.16 -1.289279173e-01 -1.289279173e-01 5.18 -1.238070441e-01 -1.238070441e-01 5.20 -1.188782871e-01 -1.188782871e-01 5.22 -1.141355813e-01 -1.141355813e-01 5.24 -1.095734998e-01 -1.095734998e-01 5.26 -1.051872911e-01 -1.051872911e-01 5.28 -1.009728116e-01 -1.009728116e-01 5.30 -9.692578420e-02 -9.692578420e-02 5.32 -9.304284914e-02 -9.304284914e-02 5.34 -8.932112721e-02 -8.932112721e-02 5.36 -8.575752178e-02 -8.575752178e-02 5.38 -8.234854877e-02 -8.234854877e-02 5.40 -7.909020557e-02 -7.909020557e-02 5.42 -7.597788963e-02 -7.597788963e-02 5.44 -7.300636997e-02 -7.300636997e-02 5.46 -7.016980877e-02 -7.016980877e-02 5.48 -6.746182497e-02 -6.746182497e-02 5.50 -6.487558935e-02 -6.487558935e-02 5.52 -6.240393913e-02 -6.240393913e-02 5.54 -6.003950079e-02 -6.003950079e-02 5.56 -5.777481177e-02 -5.777481177e-02 5.58 -5.560243354e-02 -5.560243354e-02 5.60 -5.351505143e-02 -5.351505143e-02 5.62 -5.150555877e-02 -5.150555877e-02 5.64 -4.956712494e-02 -4.956712494e-02 5.66 -4.769324834e-02 -4.769324834e-02 5.68 -4.587779622e-02 -4.587779622e-02 5.70 -4.411503421e-02 -4.411503421e-02 5.72 -4.239964796e-02 -4.239964796e-02 5.74 -4.072675984e-02 -4.072675984e-02 5.76 -3.909194283e-02 -3.909194283e-02 5.78 -3.749123365e-02 -3.749123365e-02 5.80 -3.592114627e-02 -3.592114627e-02 5.82 -3.437868663e-02 -3.437868663e-02 5.84 -3.286136867e-02 -3.286136867e-02 5.86 -3.136723086e-02 -3.136723086e-02 5.88 -2.989485232e-02 -2.989485232e-02 5.90 -2.844336643e-02 -2.844336643e-02 5.92 -2.701246974e-02 -2.701246974e-02 5.94 -2.560242356e-02 -2.560242356e-02 5.96 -2.421404540e-02 -2.421404540e-02 5.98 -2.284868695e-02 -2.284868695e-02 6.00 -2.150819748e-02 -2.150819748e-02