# 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 = CuPbW2 # 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 3.962834245e+02 3.962834245e+02 1.30 3.678386056e+02 3.678386056e+02 1.32 3.415107506e+02 3.415107506e+02 1.34 3.171225836e+02 3.171225836e+02 1.36 2.945123485e+02 2.945123485e+02 1.38 2.735336993e+02 2.735336993e+02 1.40 2.540556808e+02 2.540556808e+02 1.42 2.359615512e+02 2.359615512e+02 1.44 2.191463420e+02 2.191463420e+02 1.46 2.035141252e+02 2.035141252e+02 1.48 1.889761343e+02 1.889761343e+02 1.50 1.754501544e+02 1.754501544e+02 1.52 1.628607512e+02 1.628607512e+02 1.54 1.511394305e+02 1.511394305e+02 1.56 1.402241630e+02 1.402241630e+02 1.58 1.300584291e+02 1.300584291e+02 1.60 1.205902489e+02 1.205902489e+02 1.62 1.117714830e+02 1.117714830e+02 1.64 1.035573482e+02 1.035573482e+02 1.66 9.590605808e+01 9.590605808e+01 1.68 8.877852446e+01 8.877852446e+01 1.70 8.213815092e+01 8.213815092e+01 1.72 7.595068816e+01 7.595068816e+01 1.74 7.018415549e+01 7.018415549e+01 1.76 6.480883395e+01 6.480883395e+01 1.78 5.979735003e+01 5.979735003e+01 1.80 5.512481363e+01 5.512481363e+01 1.82 5.076979013e+01 5.076979013e+01 1.84 4.671256861e+01 4.671256861e+01 1.86 4.293468601e+01 4.293468601e+01 1.88 3.941934322e+01 3.941934322e+01 1.90 3.615598102e+01 3.615598102e+01 1.92 3.312994769e+01 3.312994769e+01 1.94 3.032506423e+01 3.032506423e+01 1.96 2.772591812e+01 2.772591812e+01 1.98 2.531789713e+01 2.531789713e+01 2.00 2.308719178e+01 2.308719178e+01 2.02 2.102075375e+01 2.102075375e+01 2.04 1.910622372e+01 1.910622372e+01 2.06 1.733186031e+01 1.733186031e+01 2.08 1.568649763e+01 1.568649763e+01 2.10 1.415955375e+01 1.415955375e+01 2.12 1.274109143e+01 1.274109143e+01 2.14 1.142191484e+01 1.142191484e+01 2.16 1.019367526e+01 1.019367526e+01 2.18 9.048946796e+00 9.048946796e+00 2.20 7.981236952e+00 7.981236952e+00 2.22 6.984926163e+00 6.984926163e+00 2.24 6.055143011e+00 6.055143011e+00 2.26 5.187605865e+00 5.187605865e+00 2.28 4.378460608e+00 4.378460608e+00 2.30 3.624153599e+00 3.624153599e+00 2.32 2.921337806e+00 2.921337806e+00 2.34 2.266839792e+00 2.266839792e+00 2.36 1.657651815e+00 1.657651815e+00 2.38 1.090947442e+00 1.090947442e+00 2.40 5.640957391e-01 5.640957391e-01 2.42 7.473138924e-02 7.473138924e-02 2.44 -3.792761182e-01 -3.792761182e-01 2.46 -8.001531146e-01 -8.001531146e-01 2.48 -1.189942076e+00 -1.189942076e+00 2.50 -1.550503287e+00 -1.550503287e+00 2.52 -1.883532709e+00 -1.883532709e+00 2.54 -2.190577923e+00 -2.190577923e+00 2.56 -2.473053540e+00 -2.473053540e+00 2.58 -2.732210518e+00 -2.732210518e+00 2.60 -2.968801010e+00 -2.968801010e+00 2.62 -3.183371309e+00 -3.183371309e+00 2.64 -3.376516460e+00 -3.376516460e+00 2.66 -3.548875067e+00 -3.548875067e+00 2.68 -3.701131061e+00 -3.701131061e+00 2.70 -3.834009877e+00 -3.834009877e+00 2.72 -3.948271895e+00 -3.948271895e+00 2.74 -4.044701995e+00 -4.044701995e+00 2.76 -4.124097032e+00 -4.124097032e+00 2.78 -4.187254434e+00 -4.187254434e+00 2.80 -4.234965457e+00 -4.234965457e+00 2.82 -4.268015323e+00 -4.268015323e+00 2.84 -4.287191042e+00 -4.287191042e+00 2.86 -4.293295593e+00 -4.293295593e+00 2.88 -4.287165932e+00 -4.287165932e+00 2.90 -4.269691469e+00 -4.269691469e+00 2.92 -4.241829274e+00 -4.241829274e+00 2.94 -4.204613941e+00 -4.204613941e+00 2.96 -4.159334420e+00 -4.159334420e+00 2.98 -4.107121518e+00 -4.107121518e+00 3.00 -4.048974461e+00 -4.048974461e+00 3.02 -3.985924240e+00 -3.985924240e+00 3.04 -3.918984921e+00 -3.918984921e+00 3.06 -3.849107334e+00 -3.849107334e+00 3.08 -3.777133634e+00 -3.777133634e+00 3.10 -3.703767118e+00 -3.703767118e+00 3.12 -3.629563287e+00 -3.629563287e+00 3.14 -3.554943565e+00 -3.554943565e+00 3.16 -3.480168485e+00 -3.480168485e+00 3.18 -3.405354496e+00 -3.405354496e+00 3.20 -3.330494852e+00 -3.330494852e+00 3.22 -3.255484765e+00 -3.255484765e+00 3.24 -3.180147571e+00 -3.180147571e+00 3.26 -3.104260973e+00 -3.104260973e+00 3.28 -3.027582888e+00 -3.027582888e+00 3.30 -2.949876592e+00 -2.949876592e+00 3.32 -2.870934658e+00 -2.870934658e+00 3.34 -2.790669232e+00 -2.790669232e+00 3.36 -2.708926601e+00 -2.708926601e+00 3.38 -2.625543290e+00 -2.625543290e+00 3.40 -2.540484149e+00 -2.540484149e+00 3.42 -2.453842893e+00 -2.453842893e+00 3.44 -2.365775778e+00 -2.365775778e+00 3.46 -2.276537463e+00 -2.276537463e+00 3.48 -2.186516762e+00 -2.186516762e+00 3.50 -2.096211625e+00 -2.096211625e+00 3.52 -2.006195634e+00 -2.006195634e+00 3.54 -1.917079773e+00 -1.917079773e+00 3.56 -1.829473348e+00 -1.829473348e+00 3.58 -1.743948011e+00 -1.743948011e+00 3.60 -1.661008269e+00 -1.661008269e+00 3.62 -1.581070703e+00 -1.581070703e+00 3.64 -1.504452785e+00 -1.504452785e+00 3.66 -1.431370818e+00 -1.431370818e+00 3.68 -1.361945524e+00 -1.361945524e+00 3.70 -1.296213199e+00 -1.296213199e+00 3.72 -1.234140169e+00 -1.234140169e+00 3.74 -1.175638451e+00 -1.175638451e+00 3.76 -1.120580926e+00 -1.120580926e+00 3.78 -1.068814823e+00 -1.068814823e+00 3.80 -1.020172794e+00 -1.020172794e+00 3.82 -9.744813146e-01 -9.744813146e-01 3.84 -9.315664520e-01 -9.315664520e-01 3.86 -8.912573433e-01 -8.912573433e-01 3.88 -8.533878544e-01 -8.533878544e-01 3.90 -8.177970082e-01 -8.177970082e-01 3.92 -7.843283950e-01 -7.843283950e-01 3.94 -7.528312893e-01 -7.528312893e-01 3.96 -7.231580503e-01 -7.231580503e-01 3.98 -6.951659263e-01 -6.951659263e-01 4.00 -6.687170867e-01 -6.687170867e-01 4.02 -6.436793469e-01 -6.436793469e-01 4.04 -6.199269872e-01 -6.199269872e-01 4.06 -5.973415042e-01 -5.973415042e-01 4.08 -5.758122164e-01 -5.758122164e-01 4.10 -5.552351961e-01 -5.552351961e-01 4.12 -5.355195118e-01 -5.355195118e-01 4.14 -5.165776172e-01 -5.165776172e-01 4.16 -4.983318303e-01 -4.983318303e-01 4.18 -4.807118071e-01 -4.807118071e-01 4.20 -4.636564011e-01 -4.636564011e-01 4.22 -4.471119938e-01 -4.471119938e-01 4.24 -4.310322693e-01 -4.310322693e-01 4.26 -4.153783953e-01 -4.153783953e-01 4.28 -4.001191946e-01 -4.001191946e-01 4.30 -3.852312930e-01 -3.852312930e-01 4.32 -3.706991955e-01 -3.706991955e-01 4.34 -3.565152153e-01 -3.565152153e-01 4.36 -3.426791734e-01 -3.426791734e-01 4.38 -3.291977877e-01 -3.291977877e-01 4.40 -3.160837009e-01 -3.160837009e-01 4.42 -3.033541374e-01 -3.033541374e-01 4.44 -2.910292355e-01 -2.910292355e-01 4.46 -2.791301617e-01 -2.791301617e-01 4.48 -2.676771599e-01 -2.676771599e-01 4.50 -2.566877160e-01 -2.566877160e-01 4.52 -2.461750101e-01 -2.461750101e-01 4.54 -2.361467952e-01 -2.361467952e-01 4.56 -2.266047811e-01 -2.266047811e-01 4.58 -2.175445315e-01 -2.175445315e-01 4.60 -2.089558225e-01 -2.089558225e-01 4.62 -2.008233600e-01 -2.008233600e-01 4.64 -1.931277314e-01 -1.931277314e-01 4.66 -1.858464665e-01 -1.858464665e-01 4.68 -1.789550964e-01 -1.789550964e-01 4.70 -1.724281269e-01 -1.724281269e-01 4.72 -1.662398744e-01 -1.662398744e-01 4.74 -1.603651371e-01 -1.603651371e-01 4.76 -1.547796986e-01 -1.547796986e-01 4.78 -1.494606759e-01 -1.494606759e-01 4.80 -1.443859374e-01 -1.443859374e-01 4.82 -1.395375171e-01 -1.395375171e-01 4.84 -1.348964584e-01 -1.348964584e-01 4.86 -1.304463853e-01 -1.304463853e-01 4.88 -1.261724741e-01 -1.261724741e-01 4.90 -1.220613504e-01 -1.220613504e-01 4.92 -1.181009747e-01 -1.181009747e-01 4.94 -1.142805259e-01 -1.142805259e-01 4.96 -1.105902899e-01 -1.105902899e-01 4.98 -1.070215570e-01 -1.070215570e-01 5.00 -1.035665320e-01 -1.035665320e-01 5.02 -1.002182554e-01 -1.002182554e-01 5.04 -9.697053961e-02 -9.697053961e-02 5.06 -9.381791497e-02 -9.381791497e-02 5.08 -9.075558733e-02 -9.075558733e-02 5.10 -8.777940248e-02 -8.777940248e-02 5.12 -8.488581556e-02 -8.488581556e-02 5.14 -8.207186162e-02 -8.207186162e-02 5.16 -7.933512360e-02 -7.933512360e-02 5.18 -7.667369450e-02 -7.667369450e-02 5.20 -7.408613036e-02 -7.408613036e-02 5.22 -7.157139195e-02 -7.157139195e-02 5.24 -6.912877416e-02 -6.912877416e-02 5.26 -6.675781223e-02 -6.675781223e-02 5.28 -6.445814563e-02 -6.445814563e-02 5.30 -6.222956073e-02 -6.222956073e-02 5.32 -6.007182149e-02 -6.007182149e-02 5.34 -5.798455964e-02 -5.798455964e-02 5.36 -5.596719406e-02 -5.596719406e-02 5.38 -5.401886672e-02 -5.401886672e-02 5.40 -5.213839893e-02 -5.213839893e-02 5.42 -5.032426922e-02 -5.032426922e-02 5.44 -4.857461272e-02 -4.857461272e-02 5.46 -4.688723940e-02 -4.688723940e-02 5.48 -4.525966792e-02 -4.525966792e-02 5.50 -4.368917066e-02 -4.368917066e-02 5.52 -4.217282527e-02 -4.217282527e-02 5.54 -4.070756884e-02 -4.070756884e-02 5.56 -3.929025102e-02 -3.929025102e-02 5.58 -3.791768367e-02 -3.791768367e-02 5.60 -3.658668537e-02 -3.658668537e-02 5.62 -3.529412009e-02 -3.529412009e-02 5.64 -3.403692992e-02 -3.403692992e-02 5.66 -3.281216259e-02 -3.281216259e-02 5.68 -3.161699468e-02 -3.161699468e-02 5.70 -3.044875142e-02 -3.044875142e-02 5.72 -2.930492442e-02 -2.930492442e-02 5.74 -2.818318834e-02 -2.818318834e-02 5.76 -2.708141739e-02 -2.708141739e-02 5.78 -2.599770249e-02 -2.599770249e-02 5.80 -2.493036924e-02 -2.493036924e-02 5.82 -2.387799709e-02 -2.387799709e-02 5.84 -2.283943919e-02 -2.283943919e-02 5.86 -2.181384240e-02 -2.181384240e-02 5.88 -2.080066644e-02 -2.080066644e-02 5.90 -1.979970070e-02 -1.979970070e-02 5.92 -1.881107720e-02 -1.881107720e-02 5.94 -1.783526355e-02 -1.783526355e-02 5.96 -1.687301128e-02 -1.687301128e-02 5.98 -1.592549645e-02 -1.592549645e-02 6.00 -1.499422751e-02 -1.499422751e-02