# 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 = AgCu2Ti # 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 1.692524436e+02 1.692524436e+02 1.30 1.561133892e+02 1.561133892e+02 1.32 1.439866868e+02 1.439866868e+02 1.34 1.327884859e+02 1.327884859e+02 1.36 1.224428227e+02 1.224428227e+02 1.38 1.128812994e+02 1.128812994e+02 1.40 1.040418952e+02 1.040418952e+02 1.42 9.586790378e+01 9.586790378e+01 1.44 8.830725271e+01 8.830725271e+01 1.46 8.131199252e+01 8.131199252e+01 1.48 7.483783248e+01 7.483783248e+01 1.50 6.884388163e+01 6.884388163e+01 1.52 6.329260381e+01 6.329260381e+01 1.54 5.814968194e+01 5.814968194e+01 1.56 5.338367432e+01 5.338367432e+01 1.58 4.896571357e+01 4.896571357e+01 1.60 4.486946225e+01 4.486946225e+01 1.62 4.107122874e+01 4.107122874e+01 1.64 3.755003843e+01 3.755003843e+01 1.66 3.428742009e+01 3.428742009e+01 1.68 3.126678470e+01 3.126678470e+01 1.70 2.847123584e+01 2.847123584e+01 1.72 2.588463812e+01 2.588463812e+01 1.74 2.349158236e+01 2.349158236e+01 1.76 2.127753683e+01 2.127753683e+01 1.78 1.922897475e+01 1.922897475e+01 1.80 1.733344459e+01 1.733344459e+01 1.82 1.557959556e+01 1.557959556e+01 1.84 1.395713687e+01 1.395713687e+01 1.86 1.245671250e+01 1.245671250e+01 1.88 1.106971809e+01 1.106971809e+01 1.90 9.788119926e+00 9.788119926e+00 1.92 8.604329243e+00 8.604329243e+00 1.94 7.511164236e+00 7.511164236e+00 1.96 6.501895911e+00 6.501895911e+00 1.98 5.570331065e+00 5.570331065e+00 2.00 4.710861154e+00 4.710861154e+00 2.02 3.918435425e+00 3.918435425e+00 2.04 3.188473703e+00 3.188473703e+00 2.06 2.516766002e+00 2.516766002e+00 2.08 1.899396907e+00 1.899396907e+00 2.10 1.332703894e+00 1.332703894e+00 2.12 8.132560704e-01 8.132560704e-01 2.14 3.378355057e-01 3.378355057e-01 2.16 -9.658647897e-02 -9.658647897e-02 2.18 -4.928766352e-01 -4.928766352e-01 2.20 -8.537654521e-01 -8.537654521e-01 2.22 -1.181867567e+00 -1.181867567e+00 2.24 -1.479694726e+00 -1.479694726e+00 2.26 -1.749661543e+00 -1.749661543e+00 2.28 -1.994085123e+00 -1.994085123e+00 2.30 -2.215177026e+00 -2.215177026e+00 2.32 -2.415024482e+00 -2.415024482e+00 2.34 -2.595557327e+00 -2.595557327e+00 2.36 -2.758509002e+00 -2.758509002e+00 2.38 -2.905387285e+00 -2.905387285e+00 2.40 -3.037470963e+00 -3.037470963e+00 2.42 -3.155859961e+00 -3.155859961e+00 2.44 -3.261510199e+00 -3.261510199e+00 2.46 -3.355166428e+00 -3.355166428e+00 2.48 -3.437523939e+00 -3.437523939e+00 2.50 -3.509259937e+00 -3.509259937e+00 2.52 -3.571044330e+00 -3.571044330e+00 2.54 -3.623541423e+00 -3.623541423e+00 2.56 -3.667406408e+00 -3.667406408e+00 2.58 -3.703233603e+00 -3.703233603e+00 2.60 -3.731522494e+00 -3.731522494e+00 2.62 -3.752778552e+00 -3.752778552e+00 2.64 -3.767518408e+00 -3.767518408e+00 2.66 -3.776558964e+00 -3.776558964e+00 2.68 -3.780492629e+00 -3.780492629e+00 2.70 -3.779370683e+00 -3.779370683e+00 2.72 -3.773319277e+00 -3.773319277e+00 2.74 -3.762522468e+00 -3.762522468e+00 2.76 -3.747200808e+00 -3.747200808e+00 2.78 -3.727592150e+00 -3.727592150e+00 2.80 -3.704020602e+00 -3.704020602e+00 2.82 -3.676694000e+00 -3.676694000e+00 2.84 -3.645778497e+00 -3.645778497e+00 2.86 -3.611448605e+00 -3.611448605e+00 2.88 -3.573879143e+00 -3.573879143e+00 2.90 -3.533252491e+00 -3.533252491e+00 2.92 -3.489764672e+00 -3.489764672e+00 2.94 -3.443629346e+00 -3.443629346e+00 2.96 -3.395082130e+00 -3.395082130e+00 2.98 -3.344385261e+00 -3.344385261e+00 3.00 -3.291818921e+00 -3.291818921e+00 3.02 -3.237676168e+00 -3.237676168e+00 3.04 -3.182256115e+00 -3.182256115e+00 3.06 -3.125853894e+00 -3.125853894e+00 3.08 -3.068748013e+00 -3.068748013e+00 3.10 -3.011188278e+00 -3.011188278e+00 3.12 -2.953386176e+00 -2.953386176e+00 3.14 -2.895509977e+00 -2.895509977e+00 3.16 -2.837684212e+00 -2.837684212e+00 3.18 -2.779993561e+00 -2.779993561e+00 3.20 -2.722489023e+00 -2.722489023e+00 3.22 -2.665195258e+00 -2.665195258e+00 3.24 -2.608118020e+00 -2.608118020e+00 3.26 -2.551251108e+00 -2.551251108e+00 3.28 -2.494582537e+00 -2.494582537e+00 3.30 -2.438099845e+00 -2.438099845e+00 3.32 -2.381794447e+00 -2.381794447e+00 3.34 -2.325665014e+00 -2.325665014e+00 3.36 -2.269719824e+00 -2.269719824e+00 3.38 -2.213978101e+00 -2.213978101e+00 3.40 -2.158470416e+00 -2.158470416e+00 3.42 -2.103238405e+00 -2.103238405e+00 3.44 -2.048333761e+00 -2.048333761e+00 3.46 -1.993817018e+00 -1.993817018e+00 3.48 -1.939755970e+00 -1.939755970e+00 3.50 -1.886223815e+00 -1.886223815e+00 3.52 -1.833296891e+00 -1.833296891e+00 3.54 -1.781051889e+00 -1.781051889e+00 3.56 -1.729562529e+00 -1.729562529e+00 3.58 -1.678895942e+00 -1.678895942e+00 3.60 -1.629109229e+00 -1.629109229e+00 3.62 -1.580246824e+00 -1.580246824e+00 3.64 -1.532339246e+00 -1.532339246e+00 3.66 -1.485403525e+00 -1.485403525e+00 3.68 -1.439445268e+00 -1.439445268e+00 3.70 -1.394461952e+00 -1.394461952e+00 3.72 -1.350446868e+00 -1.350446868e+00 3.74 -1.307393074e+00 -1.307393074e+00 3.76 -1.265296793e+00 -1.265296793e+00 3.78 -1.224159827e+00 -1.224159827e+00 3.80 -1.183990693e+00 -1.183990693e+00 3.82 -1.144804382e+00 -1.144804382e+00 3.84 -1.106620780e+00 -1.106620780e+00 3.86 -1.069462017e+00 -1.069462017e+00 3.88 -1.033349149e+00 -1.033349149e+00 3.90 -9.982986801e-01 -9.982986801e-01 3.92 -9.643194471e-01 -9.643194471e-01 3.94 -9.314104180e-01 -9.314104180e-01 3.96 -8.995593191e-01 -8.995593191e-01 3.98 -8.687426192e-01 -8.687426192e-01 4.00 -8.389263522e-01 -8.389263522e-01 4.02 -8.100676771e-01 -8.100676771e-01 4.04 -7.821168435e-01 -7.821168435e-01 4.06 -7.550192882e-01 -7.550192882e-01 4.08 -7.287176565e-01 -7.287176565e-01 4.10 -7.031535682e-01 -7.031535682e-01 4.12 -6.782694556e-01 -6.782694556e-01 4.14 -6.540095305e-01 -6.540095305e-01 4.16 -6.303212509e-01 -6.303212509e-01 4.18 -6.071563191e-01 -6.071563191e-01 4.20 -5.844716916e-01 -5.844716916e-01 4.22 -5.622305611e-01 -5.622305611e-01 4.24 -5.404033159e-01 -5.404033159e-01 4.26 -5.189684535e-01 -5.189684535e-01 4.28 -4.979133904e-01 -4.979133904e-01 4.30 -4.772350875e-01 -4.772350875e-01 4.32 -4.569403864e-01 -4.569403864e-01 4.34 -4.370459493e-01 -4.370459493e-01 4.36 -4.175777005e-01 -4.175777005e-01 4.38 -3.985696968e-01 -3.985696968e-01 4.40 -3.800624010e-01 -3.800624010e-01 4.42 -3.621003990e-01 -3.621003990e-01 4.44 -3.447296766e-01 -3.447296766e-01 4.46 -3.279946479e-01 -3.279946479e-01 4.48 -3.119351844e-01 -3.119351844e-01 4.50 -2.965839196e-01 -2.965839196e-01 4.52 -2.819640839e-01 -2.819640839e-01 4.54 -2.680880646e-01 -2.680880646e-01 4.56 -2.549567918e-01 -2.549567918e-01 4.58 -2.425599440e-01 -2.425599440e-01 4.60 -2.308768736e-01 -2.308768736e-01 4.62 -2.198780795e-01 -2.198780795e-01 4.64 -2.095270250e-01 -2.095270250e-01 4.66 -1.997820954e-01 -1.997820954e-01 4.68 -1.905985262e-01 -1.905985262e-01 4.70 -1.819301739e-01 -1.819301739e-01 4.72 -1.737310387e-01 -1.737310387e-01 4.74 -1.659562690e-01 -1.659562690e-01 4.76 -1.585638280e-01 -1.585638280e-01 4.78 -1.515149045e-01 -1.515149045e-01 4.80 -1.447742290e-01 -1.447742290e-01 4.82 -1.383106690e-01 -1.383106690e-01 4.84 -1.320972092e-01 -1.320972092e-01 4.86 -1.261112740e-01 -1.261112740e-01 4.88 -1.203346966e-01 -1.203346966e-01 4.90 -1.147536345e-01 -1.147536345e-01 4.92 -1.093583808e-01 -1.093583808e-01 4.94 -1.041430619e-01 -1.041430619e-01 4.96 -9.910521651e-02 -9.910521651e-02 4.98 -9.424525185e-02 -9.424525185e-02 5.00 -8.956579113e-02 -8.956579113e-02 5.02 -8.507093494e-02 -8.507093494e-02 5.04 -8.076547619e-02 -8.076547619e-02 5.06 -7.665412030e-02 -7.665412030e-02 5.08 -7.274075974e-02 -7.274075974e-02 5.10 -6.902770190e-02 -6.902770190e-02 5.12 -6.551562233e-02 -6.551562233e-02 5.14 -6.220316432e-02 -6.220316432e-02 5.16 -5.908673870e-02 -5.908673870e-02 5.18 -5.616062265e-02 -5.616062265e-02 5.20 -5.341719371e-02 -5.341719371e-02 5.22 -5.084725648e-02 -5.084725648e-02 5.24 -4.844041842e-02 -4.844041842e-02 5.26 -4.618547503e-02 -4.618547503e-02 5.28 -4.407077358e-02 -4.407077358e-02 5.30 -4.208453373e-02 -4.208453373e-02 5.32 -4.021511348e-02 -4.021511348e-02 5.34 -3.845121688e-02 -3.845121688e-02 5.36 -3.678204579e-02 -3.678204579e-02 5.38 -3.519740248e-02 -3.519740248e-02 5.40 -3.368775156e-02 -3.368775156e-02 5.42 -3.224425078e-02 -3.224425078e-02 5.44 -3.085876000e-02 -3.085876000e-02 5.46 -2.952383658e-02 -2.952383658e-02 5.48 -2.823272439e-02 -2.823272439e-02 5.50 -2.697934237e-02 -2.697934237e-02 5.52 -2.575827693e-02 -2.575827693e-02 5.54 -2.456478126e-02 -2.456478126e-02 5.56 -2.339478310e-02 -2.339478310e-02 5.58 -2.224490073e-02 -2.224490073e-02 5.60 -2.111246649e-02 -2.111246649e-02 5.62 -1.999555429e-02 -1.999555429e-02 5.64 -1.889300673e-02 -1.889300673e-02 5.66 -1.780445608e-02 -1.780445608e-02 5.68 -1.673033232e-02 -1.673033232e-02 5.70 -1.567185106e-02 -1.567185106e-02 5.72 -1.463097448e-02 -1.463097448e-02 5.74 -1.361034017e-02 -1.361034017e-02 5.76 -1.261315474e-02 -1.261315474e-02 5.78 -1.164295363e-02 -1.164295363e-02 5.80 -1.070358628e-02 -1.070358628e-02 5.82 -9.799070746e-03 -9.799070746e-03 5.84 -8.933285961e-03 -8.933285961e-03 5.86 -8.109777493e-03 -8.109777493e-03 5.88 -7.331584206e-03 -7.331584206e-03 5.90 -6.601098818e-03 -6.601098818e-03 5.92 -5.919971716e-03 -5.919971716e-03 5.94 -5.289062744e-03 -5.289062744e-03 5.96 -4.708440669e-03 -4.708440669e-03 5.98 -4.177425539e-03 -4.177425539e-03 6.00 -3.694665729e-03 -3.694665729e-03