# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPdPt2 # 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 1.035795531e+03 1.035795531e+03 0.98 9.457141388e+02 9.457141388e+02 1.00 8.641332324e+02 8.641332324e+02 1.02 7.901787053e+02 7.901787053e+02 1.04 7.230797371e+02 7.230797371e+02 1.06 6.621482849e+02 6.621482849e+02 1.08 6.067685323e+02 6.067685323e+02 1.10 5.563975772e+02 5.563975772e+02 1.12 5.105424997e+02 5.105424997e+02 1.14 4.687638146e+02 4.687638146e+02 1.16 4.306735561e+02 4.306735561e+02 1.18 3.959195441e+02 3.959195441e+02 1.20 3.641836075e+02 3.641836075e+02 1.22 3.351789164e+02 3.351789164e+02 1.24 3.086521398e+02 3.086521398e+02 1.26 2.843721533e+02 2.843721533e+02 1.28 2.621306424e+02 2.621306424e+02 1.30 2.417380990e+02 2.417380990e+02 1.32 2.230264961e+02 2.230264961e+02 1.34 2.058429600e+02 2.058429600e+02 1.36 1.900505519e+02 1.900505519e+02 1.38 1.755244580e+02 1.755244580e+02 1.40 1.621510488e+02 1.621510488e+02 1.42 1.498284281e+02 1.498284281e+02 1.44 1.384651479e+02 1.384651479e+02 1.46 1.279775262e+02 1.279775262e+02 1.48 1.182895728e+02 1.182895728e+02 1.50 1.093330162e+02 1.093330162e+02 1.52 1.010461855e+02 1.010461855e+02 1.54 9.337231626e+01 9.337231626e+01 1.56 8.625974665e+01 8.625974665e+01 1.58 7.966258211e+01 7.966258211e+01 1.60 7.353979842e+01 7.353979842e+01 1.62 6.785340536e+01 6.785340536e+01 1.64 6.256818053e+01 6.256818053e+01 1.66 5.765249442e+01 5.765249442e+01 1.68 5.307754093e+01 5.307754093e+01 1.70 4.881688395e+01 4.881688395e+01 1.72 4.484578605e+01 4.484578605e+01 1.74 4.114346858e+01 4.114346858e+01 1.76 3.768988787e+01 3.768988787e+01 1.78 3.446605673e+01 3.446605673e+01 1.80 3.145560861e+01 3.145560861e+01 1.82 2.864348439e+01 2.864348439e+01 1.84 2.601953261e+01 2.601953261e+01 1.86 2.357637278e+01 2.357637278e+01 1.88 2.130339031e+01 2.130339031e+01 1.90 1.916007156e+01 1.916007156e+01 1.92 1.717358217e+01 1.717358217e+01 1.94 1.531486525e+01 1.531486525e+01 1.96 1.357757384e+01 1.357757384e+01 1.98 1.195568735e+01 1.195568735e+01 2.00 1.044342366e+01 1.044342366e+01 2.02 9.035224184e+00 9.035224184e+00 2.04 7.725742662e+00 7.725742662e+00 2.06 6.509573030e+00 6.509573030e+00 2.08 5.381574995e+00 5.381574995e+00 2.10 4.337309740e+00 4.337309740e+00 2.12 3.371899307e+00 3.371899307e+00 2.14 2.481499060e+00 2.481499060e+00 2.16 1.662343679e+00 1.662343679e+00 2.18 9.098120924e-01 9.098120924e-01 2.20 2.200576380e-01 2.200576380e-01 2.22 -4.106037972e-01 -4.106037972e-01 2.24 -9.856978124e-01 -9.856978124e-01 2.26 -1.508278816e+00 -1.508278816e+00 2.28 -1.981670039e+00 -1.981670039e+00 2.30 -2.409178024e+00 -2.409178024e+00 2.32 -2.793860790e+00 -2.793860790e+00 2.34 -3.138360463e+00 -3.138360463e+00 2.36 -3.445344811e+00 -3.445344811e+00 2.38 -3.717246371e+00 -3.717246371e+00 2.40 -3.956316030e+00 -3.956316030e+00 2.42 -4.165026645e+00 -4.165026645e+00 2.44 -4.345677973e+00 -4.345677973e+00 2.46 -4.500324779e+00 -4.500324779e+00 2.48 -4.630915666e+00 -4.630915666e+00 2.50 -4.739291020e+00 -4.739291020e+00 2.52 -4.827584420e+00 -4.827584420e+00 2.54 -4.896876565e+00 -4.896876565e+00 2.56 -4.948896480e+00 -4.948896480e+00 2.58 -4.985094161e+00 -4.985094161e+00 2.60 -5.006832221e+00 -5.006832221e+00 2.62 -5.015388484e+00 -5.015388484e+00 2.64 -5.011959499e+00 -5.011959499e+00 2.66 -4.997783724e+00 -4.997783724e+00 2.68 -4.973904333e+00 -4.973904333e+00 2.70 -4.941163754e+00 -4.941163754e+00 2.72 -4.900467439e+00 -4.900467439e+00 2.74 -4.852656518e+00 -4.852656518e+00 2.76 -4.798516627e+00 -4.798516627e+00 2.78 -4.739747634e+00 -4.739747634e+00 2.80 -4.676155766e+00 -4.676155766e+00 2.82 -4.608165212e+00 -4.608165212e+00 2.84 -4.536358669e+00 -4.536358669e+00 2.86 -4.461260720e+00 -4.461260720e+00 2.88 -4.383374751e+00 -4.383374751e+00 2.90 -4.302499905e+00 -4.302499905e+00 2.92 -4.218671170e+00 -4.218671170e+00 2.94 -4.133407934e+00 -4.133407934e+00 2.96 -4.047258121e+00 -4.047258121e+00 2.98 -3.960238936e+00 -3.960238936e+00 3.00 -3.872620553e+00 -3.872620553e+00 3.02 -3.784698314e+00 -3.784698314e+00 3.04 -3.696197367e+00 -3.696197367e+00 3.06 -3.607487735e+00 -3.607487735e+00 3.08 -3.519094267e+00 -3.519094267e+00 3.10 -3.431183322e+00 -3.431183322e+00 3.12 -3.343901963e+00 -3.343901963e+00 3.14 -3.257380860e+00 -3.257380860e+00 3.16 -3.171736057e+00 -3.171736057e+00 3.18 -3.087070184e+00 -3.087070184e+00 3.20 -3.003473550e+00 -3.003473550e+00 3.22 -2.921025175e+00 -2.921025175e+00 3.24 -2.839785850e+00 -2.839785850e+00 3.26 -2.760766246e+00 -2.760766246e+00 3.28 -2.683358598e+00 -2.683358598e+00 3.30 -2.607248712e+00 -2.607248712e+00 3.32 -2.532476879e+00 -2.532476879e+00 3.34 -2.459076750e+00 -2.459076750e+00 3.36 -2.387075113e+00 -2.387075113e+00 3.38 -2.316494301e+00 -2.316494301e+00 3.40 -2.247350187e+00 -2.247350187e+00 3.42 -2.179653203e+00 -2.179653203e+00 3.44 -2.113412770e+00 -2.113412770e+00 3.46 -2.048636691e+00 -2.048636691e+00 3.48 -1.985345386e+00 -1.985345386e+00 3.50 -1.923483964e+00 -1.923483964e+00 3.52 -1.862914705e+00 -1.862914705e+00 3.54 -1.803561322e+00 -1.803561322e+00 3.56 -1.745442623e+00 -1.745442623e+00 3.58 -1.688653776e+00 -1.688653776e+00 3.60 -1.633284042e+00 -1.633284042e+00 3.62 -1.579369601e+00 -1.579369601e+00 3.64 -1.526871784e+00 -1.526871784e+00 3.66 -1.475725594e+00 -1.475725594e+00 3.68 -1.425865581e+00 -1.425865581e+00 3.70 -1.377252858e+00 -1.377252858e+00 3.72 -1.329904843e+00 -1.329904843e+00 3.74 -1.283840346e+00 -1.283840346e+00 3.76 -1.239068522e+00 -1.239068522e+00 3.78 -1.195548155e+00 -1.195548155e+00 3.80 -1.153248685e+00 -1.153248685e+00 3.82 -1.112145447e+00 -1.112145447e+00 3.84 -1.072222731e+00 -1.072222731e+00 3.86 -1.033465328e+00 -1.033465328e+00 3.88 -9.957723765e-01 -9.957723765e-01 3.90 -9.590921074e-01 -9.590921074e-01 3.92 -9.234656111e-01 -9.234656111e-01 3.94 -8.889243916e-01 -8.889243916e-01 3.96 -8.554777786e-01 -8.554777786e-01 3.98 -8.231194609e-01 -8.231194609e-01 4.00 -7.917954485e-01 -7.917954485e-01 4.02 -7.615589017e-01 -7.615589017e-01 4.04 -7.324568972e-01 -7.324568972e-01 4.06 -7.043579709e-01 -7.043579709e-01 4.08 -6.771581311e-01 -6.771581311e-01 4.10 -6.507844488e-01 -6.507844488e-01 4.12 -6.251958043e-01 -6.251958043e-01 4.14 -6.003581623e-01 -6.003581623e-01 4.16 -5.762707420e-01 -5.762707420e-01 4.18 -5.530135001e-01 -5.530135001e-01 4.20 -5.301648114e-01 -5.301648114e-01 4.22 -5.076464446e-01 -5.076464446e-01 4.24 -4.854064397e-01 -4.854064397e-01 4.26 -4.633642040e-01 -4.633642040e-01 4.28 -4.415425975e-01 -4.415425975e-01 4.30 -4.200072045e-01 -4.200072045e-01 4.32 -3.988148811e-01 -3.988148811e-01 4.34 -3.780135742e-01 -3.780135742e-01 4.36 -3.576313737e-01 -3.576313737e-01 4.38 -3.376748842e-01 -3.376748842e-01 4.40 -3.182046945e-01 -3.182046945e-01 4.42 -2.993011975e-01 -2.993011975e-01 4.44 -2.810231557e-01 -2.810231557e-01 4.46 -2.634115053e-01 -2.634115053e-01 4.48 -2.464925676e-01 -2.464925676e-01 4.50 -2.302807604e-01 -2.302807604e-01 4.52 -2.147808788e-01 -2.147808788e-01 4.54 -1.999900101e-01 -1.999900101e-01 4.56 -1.858991377e-01 -1.858991377e-01 4.58 -1.724977221e-01 -1.724977221e-01 4.60 -1.604450623e-01 -1.604450623e-01 4.62 -1.496578404e-01 -1.496578404e-01 4.64 -1.394143139e-01 -1.394143139e-01 4.66 -1.296941974e-01 -1.296941974e-01 4.68 -1.204766898e-01 -1.204766898e-01 4.70 -1.117407632e-01 -1.117407632e-01 4.72 -1.034653952e-01 -1.034653952e-01 4.74 -9.562975562e-02 -9.562975562e-02 4.76 -8.821335432e-02 -8.821335432e-02 4.78 -8.120118139e-02 -8.120118139e-02 4.80 -7.460012618e-02 -7.460012618e-02 4.82 -6.915875258e-02 -6.915875258e-02 4.84 -6.404450008e-02 -6.404450008e-02 4.86 -5.920872186e-02 -5.920872186e-02 4.88 -5.463498608e-02 -5.463498608e-02 4.90 -5.030987300e-02 -5.030987300e-02 4.92 -4.622052870e-02 -4.622052870e-02 4.94 -4.235466278e-02 -4.235466278e-02 4.96 -3.870054131e-02 -3.870054131e-02 4.98 -3.524697631e-02 -3.524697631e-02 5.00 -3.198331249e-02 -3.198331249e-02 5.02 -2.889941196e-02 -2.889941196e-02 5.04 -2.598563735e-02 -2.598563735e-02 5.06 -2.323283394e-02 -2.323283394e-02 5.08 -2.063231114e-02 -2.063231114e-02 5.10 -1.817582359e-02 -1.817582359e-02 5.12 -1.585555217e-02 -1.585555217e-02 5.14 -1.366408519e-02 -1.366408519e-02 5.16 -1.159439969e-02 -1.159439969e-02 5.18 -9.639843277e-03 -9.639843277e-03 5.20 -7.794116274e-03 -7.794116274e-03 5.22 -6.051254477e-03 -6.051254477e-03 5.24 -4.405612465e-03 -4.405612465e-03 5.26 -2.851847546e-03 -2.851847546e-03 5.28 -1.385800473e-03 -1.385800473e-03 5.30 -2.169209420e-15 -2.168416343e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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