# 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 = CuMgNi2 # 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 1.688140564e+02 1.688140564e+02 1.30 1.554678648e+02 1.554678648e+02 1.32 1.431704126e+02 1.431704126e+02 1.34 1.318292789e+02 1.318292789e+02 1.36 1.213633093e+02 1.213633093e+02 1.38 1.117023937e+02 1.117023937e+02 1.40 1.027849220e+02 1.027849220e+02 1.42 9.455517488e+01 9.455517488e+01 1.44 8.696153533e+01 8.696153533e+01 1.46 7.995531675e+01 7.995531675e+01 1.48 7.349011183e+01 7.349011183e+01 1.50 6.752181489e+01 6.752181489e+01 1.52 6.200930222e+01 6.200930222e+01 1.54 5.691520842e+01 5.691520842e+01 1.56 5.220606926e+01 5.220606926e+01 1.58 4.785175716e+01 4.785175716e+01 1.60 4.382471150e+01 4.382471150e+01 1.62 4.010020827e+01 4.010020827e+01 1.64 3.665615377e+01 3.665615377e+01 1.66 3.347275410e+01 3.347275410e+01 1.68 3.053194156e+01 3.053194156e+01 1.70 2.781671510e+01 2.781671510e+01 1.72 2.531062792e+01 2.531062792e+01 1.74 2.299757313e+01 2.299757313e+01 1.76 2.086191050e+01 2.086191050e+01 1.78 1.888884755e+01 1.888884755e+01 1.80 1.706487113e+01 1.706487113e+01 1.82 1.537802847e+01 1.537802847e+01 1.84 1.381793844e+01 1.381793844e+01 1.86 1.237555544e+01 1.237555544e+01 1.88 1.104280087e+01 1.104280087e+01 1.90 9.812218324e+00 9.812218324e+00 1.92 8.676749136e+00 8.676749136e+00 1.94 7.629649889e+00 7.629649889e+00 1.96 6.664515664e+00 6.664515664e+00 1.98 5.775351106e+00 5.775351106e+00 2.00 4.956627672e+00 4.956627672e+00 2.02 4.203291770e+00 4.203291770e+00 2.04 3.510726922e+00 3.510726922e+00 2.06 2.874694633e+00 2.874694633e+00 2.08 2.291278370e+00 2.291278370e+00 2.10 1.756843372e+00 1.756843372e+00 2.12 1.268010530e+00 1.268010530e+00 2.14 8.216356333e-01 8.216356333e-01 2.16 4.147853570e-01 4.147853570e-01 2.18 4.470341977e-02 4.470341977e-02 2.20 -2.912289881e-01 -2.912289881e-01 2.22 -5.955319879e-01 -5.955319879e-01 2.24 -8.706537494e-01 -8.706537494e-01 2.26 -1.118982620e+00 -1.118982620e+00 2.28 -1.342849660e+00 -1.342849660e+00 2.30 -1.544523811e+00 -1.544523811e+00 2.32 -1.726202073e+00 -1.726202073e+00 2.34 -1.889978897e+00 -1.889978897e+00 2.36 -2.037789156e+00 -2.037789156e+00 2.38 -2.171350592e+00 -2.171350592e+00 2.40 -2.292113503e+00 -2.292113503e+00 2.42 -2.401247365e+00 -2.401247365e+00 2.44 -2.499670192e+00 -2.499670192e+00 2.46 -2.588107403e+00 -2.588107403e+00 2.48 -2.667155117e+00 -2.667155117e+00 2.50 -2.737258502e+00 -2.737258502e+00 2.52 -2.798393615e+00 -2.798393615e+00 2.54 -2.850582930e+00 -2.850582930e+00 2.56 -2.893950584e+00 -2.893950584e+00 2.58 -2.928700172e+00 -2.928700172e+00 2.60 -2.955097975e+00 -2.955097975e+00 2.62 -2.973462949e+00 -2.973462949e+00 2.64 -2.984170004e+00 -2.984170004e+00 2.66 -2.987672670e+00 -2.987672670e+00 2.68 -2.984483865e+00 -2.984483865e+00 2.70 -2.975169916e+00 -2.975169916e+00 2.72 -2.960347373e+00 -2.960347373e+00 2.74 -2.940668771e+00 -2.940668771e+00 2.76 -2.916796674e+00 -2.916796674e+00 2.78 -2.889369921e+00 -2.889369921e+00 2.80 -2.858970591e+00 -2.858970591e+00 2.82 -2.826098275e+00 -2.826098275e+00 2.84 -2.791159836e+00 -2.791159836e+00 2.86 -2.754472994e+00 -2.754472994e+00 2.88 -2.716280768e+00 -2.716280768e+00 2.90 -2.676770762e+00 -2.676770762e+00 2.92 -2.636094103e+00 -2.636094103e+00 2.94 -2.594380740e+00 -2.594380740e+00 2.96 -2.551749968e+00 -2.551749968e+00 2.98 -2.508316504e+00 -2.508316504e+00 3.00 -2.464193197e+00 -2.464193197e+00 3.02 -2.419491605e+00 -2.419491605e+00 3.04 -2.374322091e+00 -2.374322091e+00 3.06 -2.328810244e+00 -2.328810244e+00 3.08 -2.283050245e+00 -2.283050245e+00 3.10 -2.237123785e+00 -2.237123785e+00 3.12 -2.191111875e+00 -2.191111875e+00 3.14 -2.145094665e+00 -2.145094665e+00 3.16 -2.099149033e+00 -2.099149033e+00 3.18 -2.053348711e+00 -2.053348711e+00 3.20 -2.007763123e+00 -2.007763123e+00 3.22 -1.962447203e+00 -1.962447203e+00 3.24 -1.917428095e+00 -1.917428095e+00 3.26 -1.872731513e+00 -1.872731513e+00 3.28 -1.828385275e+00 -1.828385275e+00 3.30 -1.784418314e+00 -1.784418314e+00 3.32 -1.740859641e+00 -1.740859641e+00 3.34 -1.697737222e+00 -1.697737222e+00 3.36 -1.655076849e+00 -1.655076849e+00 3.38 -1.612901172e+00 -1.612901172e+00 3.40 -1.571228960e+00 -1.571228960e+00 3.42 -1.530074905e+00 -1.530074905e+00 3.44 -1.489449233e+00 -1.489449233e+00 3.46 -1.449357984e+00 -1.449357984e+00 3.48 -1.409803147e+00 -1.409803147e+00 3.50 -1.370782904e+00 -1.370782904e+00 3.52 -1.332291927e+00 -1.332291927e+00 3.54 -1.294321746e+00 -1.294321746e+00 3.56 -1.256861183e+00 -1.256861183e+00 3.58 -1.219896885e+00 -1.219896885e+00 3.60 -1.183413949e+00 -1.183413949e+00 3.62 -1.147396681e+00 -1.147396681e+00 3.64 -1.111829498e+00 -1.111829498e+00 3.66 -1.076698050e+00 -1.076698050e+00 3.68 -1.041990604e+00 -1.041990604e+00 3.70 -1.007699722e+00 -1.007699722e+00 3.72 -9.738242164e-01 -9.738242164e-01 3.74 -9.403712848e-01 -9.403712848e-01 3.76 -9.073586096e-01 -9.073586096e-01 3.78 -8.748161071e-01 -8.748161071e-01 3.80 -8.427869209e-01 -8.427869209e-01 3.82 -8.113272376e-01 -8.113272376e-01 3.84 -7.805045872e-01 -7.805045872e-01 3.86 -7.503944860e-01 -7.503944860e-01 3.88 -7.210755783e-01 -7.210755783e-01 3.90 -6.926237568e-01 -6.926237568e-01 3.92 -6.651059158e-01 -6.651059158e-01 3.94 -6.385747778e-01 -6.385747778e-01 3.96 -6.130640734e-01 -6.130640734e-01 3.98 -5.885866616e-01 -5.885866616e-01 4.00 -5.651341153e-01 -5.651341153e-01 4.02 -5.426782380e-01 -5.426782380e-01 4.04 -5.211739262e-01 -5.211739262e-01 4.06 -5.005627984e-01 -5.005627984e-01 4.08 -4.807770433e-01 -4.807770433e-01 4.10 -4.617427721e-01 -4.617427721e-01 4.12 -4.433844124e-01 -4.433844124e-01 4.14 -4.256253787e-01 -4.256253787e-01 4.16 -4.083914827e-01 -4.083914827e-01 4.18 -3.916121553e-01 -3.916121553e-01 4.20 -3.752217087e-01 -3.752217087e-01 4.22 -3.591604130e-01 -3.591604130e-01 4.24 -3.433755070e-01 -3.433755070e-01 4.26 -3.278222314e-01 -3.278222314e-01 4.28 -3.124649238e-01 -3.124649238e-01 4.30 -2.972781654e-01 -2.972781654e-01 4.32 -2.822479154e-01 -2.822479154e-01 4.34 -2.673725146e-01 -2.673725146e-01 4.36 -2.526633944e-01 -2.526633944e-01 4.38 -2.381453039e-01 -2.381453039e-01 4.40 -2.238558645e-01 -2.238558645e-01 4.42 -2.098443017e-01 -2.098443017e-01 4.44 -1.961692795e-01 -1.961692795e-01 4.46 -1.828958742e-01 -1.828958742e-01 4.48 -1.700918574e-01 -1.700918574e-01 4.50 -1.578235815e-01 -1.578235815e-01 4.52 -1.461518518e-01 -1.461518518e-01 4.54 -1.351282011e-01 -1.351282011e-01 4.56 -1.247919414e-01 -1.247919414e-01 4.58 -1.151682625e-01 -1.151682625e-01 4.60 -1.062674968e-01 -1.062674968e-01 4.62 -9.808551281e-02 -9.808551281e-02 4.64 -9.060506767e-02 -9.060506767e-02 4.66 -8.379783688e-02 -8.379783688e-02 4.68 -7.762683802e-02 -7.762683802e-02 4.70 -7.204899254e-02 -7.204899254e-02 4.72 -6.701751789e-02 -6.701751789e-02 4.74 -6.248310018e-02 -6.248310018e-02 4.76 -5.839808536e-02 -5.839808536e-02 4.78 -5.471674745e-02 -5.471674745e-02 4.80 -5.139529623e-02 -5.139529623e-02 4.82 -4.839355877e-02 -4.839355877e-02 4.84 -4.567408657e-02 -4.567408657e-02 4.86 -4.320328870e-02 -4.320328870e-02 4.88 -4.095116806e-02 -4.095116806e-02 4.90 -3.889117414e-02 -3.889117414e-02 4.92 -3.699997185e-02 -3.699997185e-02 4.94 -3.525714707e-02 -3.525714707e-02 4.96 -3.364491577e-02 -3.364491577e-02 4.98 -3.214788842e-02 -3.214788842e-02 5.00 -3.075273416e-02 -3.075273416e-02 5.02 -2.944791775e-02 -2.944791775e-02 5.04 -2.822346180e-02 -2.822346180e-02 5.06 -2.707073396e-02 -2.707073396e-02 5.08 -2.598225881e-02 -2.598225881e-02 5.10 -2.495155375e-02 -2.495155375e-02 5.12 -2.397298709e-02 -2.397298709e-02 5.14 -2.304165653e-02 -2.304165653e-02 5.16 -2.215328587e-02 -2.215328587e-02 5.18 -2.130413822e-02 -2.130413822e-02 5.20 -2.049094351e-02 -2.049094351e-02 5.22 -1.971083871e-02 -1.971083871e-02 5.24 -1.896131897e-02 -1.896131897e-02 5.26 -1.824019806e-02 -1.824019806e-02 5.28 -1.754557651e-02 -1.754557651e-02 5.30 -1.687581589e-02 -1.687581589e-02 5.32 -1.622951742e-02 -1.622951742e-02 5.34 -1.560550348e-02 -1.560550348e-02 5.36 -1.500277436e-02 -1.500277436e-02 5.38 -1.442052764e-02 -1.442052764e-02 5.40 -1.385815000e-02 -1.385815000e-02 5.42 -1.331517054e-02 -1.331517054e-02 5.44 -1.279123499e-02 -1.279123499e-02 5.46 -1.228607684e-02 -1.228607684e-02 5.48 -1.179948604e-02 -1.179948604e-02 5.50 -1.133127697e-02 -1.133127697e-02 5.52 -1.088125745e-02 -1.088125745e-02 5.54 -1.044920102e-02 -1.044920102e-02 5.56 -1.003482428e-02 -1.003482428e-02 5.58 -9.637770861e-03 -9.637770861e-03 5.60 -9.257602623e-03 -9.257602623e-03 5.62 -8.893798094e-03 -8.893798094e-03 5.64 -8.545757322e-03 -8.545757322e-03 5.66 -8.212811806e-03 -8.212811806e-03 5.68 -7.894237874e-03 -7.894237874e-03 5.70 -7.589271844e-03 -7.589271844e-03 5.72 -7.297125460e-03 -7.297125460e-03 5.74 -7.017000408e-03 -7.017000408e-03 5.76 -6.748101114e-03 -6.748101114e-03 5.78 -6.489645340e-03 -6.489645340e-03 5.80 -6.240872478e-03 -6.240872478e-03 5.82 -6.001049621e-03 -6.001049621e-03 5.84 -5.769475711e-03 -5.769475711e-03 5.86 -5.545484127e-03 -5.545484127e-03 5.88 -5.328444115e-03 -5.328444115e-03 5.90 -5.117761479e-03 -5.117761479e-03 5.92 -4.912878902e-03 -4.912878902e-03 5.94 -4.713276221e-03 -4.713276221e-03 5.96 -4.518470938e-03 -4.518470938e-03 5.98 -4.328019172e-03 -4.328019172e-03 6.00 -4.141517222e-03 -4.141517222e-03