# 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 = Cu2MgNi # 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 1.594434213e+02 1.594434213e+02 1.30 1.468527166e+02 1.468527166e+02 1.32 1.352511555e+02 1.352511555e+02 1.34 1.245519981e+02 1.245519981e+02 1.36 1.146791710e+02 1.146791710e+02 1.38 1.055665563e+02 1.055665563e+02 1.40 9.715562070e+01 9.715562070e+01 1.42 8.939328557e+01 8.939328557e+01 1.44 8.223042289e+01 8.223042289e+01 1.46 7.562074003e+01 7.562074003e+01 1.48 6.952014286e+01 6.952014286e+01 1.50 6.388683001e+01 6.388683001e+01 1.52 5.868201682e+01 5.868201682e+01 1.54 5.387060468e+01 5.387060468e+01 1.56 4.942104009e+01 4.942104009e+01 1.58 4.530472950e+01 4.530472950e+01 1.60 4.149610767e+01 4.149610767e+01 1.62 3.797227247e+01 3.797227247e+01 1.64 3.471290962e+01 3.471290962e+01 1.66 3.169990919e+01 3.169990919e+01 1.68 2.891667815e+01 2.891667815e+01 1.70 2.634742316e+01 2.634742316e+01 1.72 2.397663951e+01 2.397663951e+01 1.74 2.178895101e+01 2.178895101e+01 1.76 1.976932244e+01 1.976932244e+01 1.78 1.790351824e+01 1.790351824e+01 1.80 1.617857139e+01 1.617857139e+01 1.82 1.458305452e+01 1.458305452e+01 1.84 1.310705667e+01 1.310705667e+01 1.86 1.174192876e+01 1.174192876e+01 1.88 1.047993437e+01 1.047993437e+01 1.90 9.313949702e+00 9.313949702e+00 1.92 8.237281388e+00 8.237281388e+00 1.94 7.243607317e+00 7.243607317e+00 1.96 6.326999121e+00 6.326999121e+00 1.98 5.481973036e+00 5.481973036e+00 2.00 4.703515212e+00 4.703515212e+00 2.02 3.987056732e+00 3.987056732e+00 2.04 3.328409985e+00 3.328409985e+00 2.06 2.723694545e+00 2.723694545e+00 2.08 2.169276577e+00 2.169276577e+00 2.10 1.661732282e+00 1.661732282e+00 2.12 1.197831680e+00 1.197831680e+00 2.14 7.745309345e-01 7.745309345e-01 2.16 3.889623411e-01 3.889623411e-01 2.18 3.841353762e-02 3.841353762e-02 2.20 -2.797007642e-01 -2.797007642e-01 2.22 -5.678684016e-01 -5.678684016e-01 2.24 -8.285002282e-01 -8.285002282e-01 2.26 -1.063939597e+00 -1.063939597e+00 2.28 -1.276464778e+00 -1.276464778e+00 2.30 -1.468283367e+00 -1.468283367e+00 2.32 -1.641518000e+00 -1.641518000e+00 2.34 -1.798164008e+00 -1.798164008e+00 2.36 -1.940036030e+00 -1.940036030e+00 2.38 -2.068707978e+00 -2.068707978e+00 2.40 -2.185476022e+00 -2.185476022e+00 2.42 -2.291363508e+00 -2.291363508e+00 2.44 -2.387163856e+00 -2.387163856e+00 2.46 -2.473528925e+00 -2.473528925e+00 2.48 -2.551277409e+00 -2.551277409e+00 2.50 -2.620398163e+00 -2.620398163e+00 2.52 -2.680783973e+00 -2.680783973e+00 2.54 -2.732449030e+00 -2.732449030e+00 2.56 -2.775504909e+00 -2.775504909e+00 2.58 -2.810140194e+00 -2.810140194e+00 2.60 -2.836606244e+00 -2.836606244e+00 2.62 -2.855213928e+00 -2.855213928e+00 2.64 -2.866375835e+00 -2.866375835e+00 2.66 -2.870581270e+00 -2.870581270e+00 2.68 -2.868369337e+00 -2.868369337e+00 2.70 -2.860329516e+00 -2.860329516e+00 2.72 -2.847093615e+00 -2.847093615e+00 2.74 -2.829315802e+00 -2.829315802e+00 2.76 -2.807642411e+00 -2.807642411e+00 2.78 -2.782677519e+00 -2.782677519e+00 2.80 -2.754953528e+00 -2.754953528e+00 2.82 -2.724912243e+00 -2.724912243e+00 2.84 -2.692902363e+00 -2.692902363e+00 2.86 -2.659189564e+00 -2.659189564e+00 2.88 -2.623974998e+00 -2.623974998e+00 2.90 -2.587416157e+00 -2.587416157e+00 2.92 -2.549645505e+00 -2.549645505e+00 2.94 -2.510784363e+00 -2.510784363e+00 2.96 -2.470951520e+00 -2.470951520e+00 2.98 -2.430267236e+00 -2.430267236e+00 3.00 -2.388853937e+00 -2.388853937e+00 3.02 -2.346841536e+00 -2.346841536e+00 3.04 -2.304364092e+00 -2.304364092e+00 3.06 -2.261522926e+00 -2.261522926e+00 3.08 -2.218414816e+00 -2.218414816e+00 3.10 -2.175132859e+00 -2.175132859e+00 3.12 -2.131764239e+00 -2.131764239e+00 3.14 -2.088389812e+00 -2.088389812e+00 3.16 -2.045081880e+00 -2.045081880e+00 3.18 -2.001904125e+00 -2.001904125e+00 3.20 -1.958896297e+00 -1.958896297e+00 3.22 -1.916074718e+00 -1.916074718e+00 3.24 -1.873454504e+00 -1.873454504e+00 3.26 -1.831050995e+00 -1.831050995e+00 3.28 -1.788880202e+00 -1.788880202e+00 3.30 -1.746959293e+00 -1.746959293e+00 3.32 -1.705306889e+00 -1.705306889e+00 3.34 -1.663943039e+00 -1.663943039e+00 3.36 -1.622888920e+00 -1.622888920e+00 3.38 -1.582166339e+00 -1.582166339e+00 3.40 -1.541797136e+00 -1.541797136e+00 3.42 -1.501802781e+00 -1.501802781e+00 3.44 -1.462203522e+00 -1.462203522e+00 3.46 -1.423018004e+00 -1.423018004e+00 3.48 -1.384262625e+00 -1.384262625e+00 3.50 -1.345950977e+00 -1.345950977e+00 3.52 -1.308093377e+00 -1.308093377e+00 3.54 -1.270696557e+00 -1.270696557e+00 3.56 -1.233763569e+00 -1.233763569e+00 3.58 -1.197293948e+00 -1.197293948e+00 3.60 -1.161284162e+00 -1.161284162e+00 3.62 -1.125728361e+00 -1.125728361e+00 3.64 -1.090619456e+00 -1.090619456e+00 3.66 -1.055950511e+00 -1.055950511e+00 3.68 -1.021716471e+00 -1.021716471e+00 3.70 -9.879161533e-01 -9.879161533e-01 3.72 -9.545544289e-01 -9.545544289e-01 3.74 -9.216443924e-01 -9.216443924e-01 3.76 -8.892092728e-01 -8.892092728e-01 3.78 -8.572837436e-01 -8.572837436e-01 3.80 -8.259142710e-01 -8.259142710e-01 3.82 -7.951581823e-01 -7.951581823e-01 3.84 -7.650812727e-01 -7.650812727e-01 3.86 -7.357539901e-01 -7.357539901e-01 3.88 -7.072465061e-01 -7.072465061e-01 3.90 -6.796232324e-01 -6.796232324e-01 3.92 -6.529373991e-01 -6.529373991e-01 3.94 -6.272270393e-01 -6.272270393e-01 3.96 -6.025113433e-01 -6.025113433e-01 3.98 -5.787899055e-01 -5.787899055e-01 4.00 -5.560431080e-01 -5.560431080e-01 4.02 -5.342340774e-01 -5.342340774e-01 4.04 -5.133116309e-01 -5.133116309e-01 4.06 -4.932137117e-01 -4.932137117e-01 4.08 -4.738708716e-01 -4.738708716e-01 4.10 -4.552092155e-01 -4.552092155e-01 4.12 -4.371543039e-01 -4.371543039e-01 4.14 -4.196316384e-01 -4.196316384e-01 4.16 -4.025697618e-01 -4.025697618e-01 4.18 -3.859014104e-01 -3.859014104e-01 4.20 -3.695647859e-01 -3.695647859e-01 4.22 -3.535047257e-01 -3.535047257e-01 4.24 -3.376738654e-01 -3.376738654e-01 4.26 -3.220338420e-01 -3.220338420e-01 4.28 -3.065565409e-01 -3.065565409e-01 4.30 -2.912253312e-01 -2.912253312e-01 4.32 -2.760361795e-01 -2.760361795e-01 4.34 -2.609984827e-01 -2.609984827e-01 4.36 -2.461354291e-01 -2.461354291e-01 4.38 -2.314836912e-01 -2.314836912e-01 4.40 -2.170922864e-01 -2.170922864e-01 4.42 -2.030205155e-01 -2.030205155e-01 4.44 -1.893350002e-01 -1.893350002e-01 4.46 -1.761059726e-01 -1.761059726e-01 4.48 -1.634031026e-01 -1.634031026e-01 4.50 -1.512912427e-01 -1.512912427e-01 4.52 -1.398265129e-01 -1.398265129e-01 4.54 -1.290531145e-01 -1.290531145e-01 4.56 -1.190011629e-01 -1.190011629e-01 4.58 -1.096856873e-01 -1.096856873e-01 4.60 -1.011067840e-01 -1.011067840e-01 4.62 -9.325077689e-02 -9.325077689e-02 4.64 -8.609212332e-02 -8.609212332e-02 4.66 -7.959577558e-02 -7.959577558e-02 4.68 -7.371975163e-02 -7.371975163e-02 4.70 -6.841761802e-02 -6.841761802e-02 4.72 -6.363986610e-02 -6.363986610e-02 4.74 -5.933761159e-02 -5.933761159e-02 4.76 -5.546384666e-02 -5.546384666e-02 4.78 -5.197340071e-02 -5.197340071e-02 4.80 -4.882366864e-02 -4.882366864e-02 4.82 -4.597602765e-02 -4.597602765e-02 4.84 -4.339474692e-02 -4.339474692e-02 4.86 -4.104798264e-02 -4.104798264e-02 4.88 -3.890742266e-02 -3.890742266e-02 4.90 -3.694808362e-02 -3.694808362e-02 4.92 -3.514805023e-02 -3.514805023e-02 4.94 -3.348815214e-02 -3.348815214e-02 4.96 -3.195172263e-02 -3.195172263e-02 4.98 -3.052432862e-02 -3.052432862e-02 5.00 -2.919345640e-02 -2.919345640e-02 5.02 -2.794826521e-02 -2.794826521e-02 5.04 -2.677936432e-02 -2.677936432e-02 5.06 -2.567861451e-02 -2.567861451e-02 5.08 -2.463895348e-02 -2.463895348e-02 5.10 -2.365424381e-02 -2.365424381e-02 5.12 -2.271914189e-02 -2.271914189e-02 5.14 -2.182898583e-02 -2.182898583e-02 5.16 -2.097970055e-02 -2.097970055e-02 5.18 -2.016771795e-02 -2.016771795e-02 5.20 -1.938991072e-02 -1.938991072e-02 5.22 -1.864353783e-02 -1.864353783e-02 5.24 -1.792620030e-02 -1.792620030e-02 5.26 -1.723580563e-02 -1.723580563e-02 5.28 -1.657053942e-02 -1.657053942e-02 5.30 -1.592884258e-02 -1.592884258e-02 5.32 -1.530939253e-02 -1.530939253e-02 5.34 -1.471108663e-02 -1.471108663e-02 5.36 -1.413300529e-02 -1.413300529e-02 5.38 -1.357442565e-02 -1.357442565e-02 5.40 -1.303481145e-02 -1.303481145e-02 5.42 -1.251377073e-02 -1.251377073e-02 5.44 -1.201102940e-02 -1.201102940e-02 5.46 -1.152640105e-02 -1.152640105e-02 5.48 -1.105975413e-02 -1.105975413e-02 5.50 -1.061097804e-02 -1.061097804e-02 5.52 -1.017995032e-02 -1.017995032e-02 5.54 -9.766507152e-03 -9.766507152e-03 5.56 -9.370419426e-03 -9.370419426e-03 5.58 -8.991375761e-03 -8.991375761e-03 5.60 -8.628973411e-03 -8.628973411e-03 5.62 -8.282716911e-03 -8.282716911e-03 5.64 -7.952023648e-03 -7.952023648e-03 5.66 -7.636234903e-03 -7.636234903e-03 5.68 -7.334630587e-03 -7.334630587e-03 5.70 -7.046445885e-03 -7.046445885e-03 5.72 -6.770888169e-03 -6.770888169e-03 5.74 -6.507152891e-03 -6.507152891e-03 5.76 -6.254437580e-03 -6.254437580e-03 5.78 -6.011953424e-03 -6.011953424e-03 5.80 -5.778934327e-03 -5.778934327e-03 5.82 -5.554643524e-03 -5.554643524e-03 5.84 -5.338378062e-03 -5.338378062e-03 5.86 -5.129471548e-03 -5.129471548e-03 5.88 -4.927295587e-03 -4.927295587e-03 5.90 -4.731260353e-03 -4.731260353e-03 5.92 -4.540814684e-03 -4.540814684e-03 5.94 -4.355446054e-03 -4.355446054e-03 5.96 -4.174680699e-03 -4.174680699e-03 5.98 -3.998084136e-03 -3.998084136e-03 6.00 -3.825262225e-03 -3.825262225e-03