# 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 = Ag2PbPt # 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 3.399979140e+02 3.399979140e+02 1.30 3.167896245e+02 3.167896245e+02 1.32 2.951885341e+02 2.951885341e+02 1.34 2.750738082e+02 2.750738082e+02 1.36 2.563359146e+02 2.563359146e+02 1.38 2.388717567e+02 2.388717567e+02 1.40 2.225827845e+02 2.225827845e+02 1.42 2.073766825e+02 2.073766825e+02 1.44 1.931697779e+02 1.931697779e+02 1.46 1.798883651e+02 1.798883651e+02 1.48 1.674684494e+02 1.674684494e+02 1.50 1.558535261e+02 1.558535261e+02 1.52 1.449910666e+02 1.449910666e+02 1.54 1.348298464e+02 1.348298464e+02 1.56 1.253193427e+02 1.253193427e+02 1.58 1.164107082e+02 1.164107082e+02 1.60 1.080579898e+02 1.080579898e+02 1.62 1.002189658e+02 1.002189658e+02 1.64 9.285561816e+01 9.285561816e+01 1.66 8.593447494e+01 8.593447494e+01 1.68 7.942671237e+01 7.942671237e+01 1.70 7.331657198e+01 7.331657198e+01 1.72 6.764122897e+01 6.764122897e+01 1.74 6.238383894e+01 6.238383894e+01 1.76 5.751474241e+01 5.751474241e+01 1.78 5.300462981e+01 5.300462981e+01 1.80 4.882501387e+01 4.882501387e+01 1.82 4.494910096e+01 4.494910096e+01 1.84 4.135251256e+01 4.135251256e+01 1.86 3.801355969e+01 3.801355969e+01 1.88 3.491307306e+01 3.491307306e+01 1.90 3.203394186e+01 3.203394186e+01 1.92 2.936057486e+01 2.936057486e+01 1.94 2.687851850e+01 2.687851850e+01 1.96 2.457429006e+01 2.457429006e+01 1.98 2.243537404e+01 2.243537404e+01 2.00 2.045022692e+01 2.045022692e+01 2.02 1.860820213e+01 1.860820213e+01 2.04 1.689941254e+01 1.689941254e+01 2.06 1.531460397e+01 1.531460397e+01 2.08 1.384508466e+01 1.384508466e+01 2.10 1.248269633e+01 1.248269633e+01 2.12 1.121980699e+01 1.121980699e+01 2.14 1.004929786e+01 1.004929786e+01 2.16 8.964550289e+00 8.964550289e+00 2.18 7.959435993e+00 7.959435993e+00 2.20 7.028306960e+00 7.028306960e+00 2.22 6.165983625e+00 6.165983625e+00 2.24 5.367733306e+00 5.367733306e+00 2.26 4.629238980e+00 4.629238980e+00 2.28 3.946559061e+00 3.946559061e+00 2.30 3.316083470e+00 3.316083470e+00 2.32 2.734483824e+00 2.734483824e+00 2.34 2.198672022e+00 2.198672022e+00 2.36 1.705756942e+00 1.705756942e+00 2.38 1.253012114e+00 1.253012114e+00 2.40 8.378505052e-01 8.378505052e-01 2.42 4.578057467e-01 4.578057467e-01 2.44 1.097523403e-01 1.097523403e-01 2.46 -2.092580384e-01 -2.092580384e-01 2.48 -5.010317961e-01 -5.010317961e-01 2.50 -7.673732431e-01 -7.673732431e-01 2.52 -1.010078260e+00 -1.010078260e+00 2.54 -1.230913458e+00 -1.230913458e+00 2.56 -1.431585000e+00 -1.431585000e+00 2.58 -1.613703096e+00 -1.613703096e+00 2.60 -1.778751256e+00 -1.778751256e+00 2.62 -1.928067315e+00 -1.928067315e+00 2.64 -2.062841273e+00 -2.062841273e+00 2.66 -2.184119755e+00 -2.184119755e+00 2.68 -2.292822439e+00 -2.292822439e+00 2.70 -2.389758254e+00 -2.389758254e+00 2.72 -2.475642504e+00 -2.475642504e+00 2.74 -2.551113175e+00 -2.551113175e+00 2.76 -2.616745764e+00 -2.616745764e+00 2.78 -2.673066131e+00 -2.673066131e+00 2.80 -2.720562334e+00 -2.720562334e+00 2.82 -2.759693889e+00 -2.759693889e+00 2.84 -2.790902506e+00 -2.790902506e+00 2.86 -2.814622844e+00 -2.814622844e+00 2.88 -2.831294632e+00 -2.831294632e+00 2.90 -2.841375374e+00 -2.841375374e+00 2.92 -2.845351817e+00 -2.845351817e+00 2.94 -2.843747382e+00 -2.843747382e+00 2.96 -2.837168379e+00 -2.837168379e+00 2.98 -2.826330883e+00 -2.826330883e+00 3.00 -2.811713580e+00 -2.811713580e+00 3.02 -2.793779850e+00 -2.793779850e+00 3.04 -2.772976471e+00 -2.772976471e+00 3.06 -2.749713950e+00 -2.749713950e+00 3.08 -2.724345339e+00 -2.724345339e+00 3.10 -2.697164283e+00 -2.697164283e+00 3.12 -2.668405079e+00 -2.668405079e+00 3.14 -2.638252039e+00 -2.638252039e+00 3.16 -2.606851353e+00 -2.606851353e+00 3.18 -2.574324453e+00 -2.574324453e+00 3.20 -2.540768373e+00 -2.540768373e+00 3.22 -2.506297030e+00 -2.506297030e+00 3.24 -2.471068145e+00 -2.471068145e+00 3.26 -2.435174216e+00 -2.435174216e+00 3.28 -2.398690955e+00 -2.398690955e+00 3.30 -2.361685983e+00 -2.361685983e+00 3.32 -2.324222610e+00 -2.324222610e+00 3.34 -2.286362563e+00 -2.286362563e+00 3.36 -2.248167828e+00 -2.248167828e+00 3.38 -2.209701663e+00 -2.209701663e+00 3.40 -2.171027981e+00 -2.171027981e+00 3.42 -2.132206381e+00 -2.132206381e+00 3.44 -2.093293930e+00 -2.093293930e+00 3.46 -2.054348823e+00 -2.054348823e+00 3.48 -2.015428674e+00 -2.015428674e+00 3.50 -1.976589051e+00 -1.976589051e+00 3.52 -1.937882204e+00 -1.937882204e+00 3.54 -1.899356025e+00 -1.899356025e+00 3.56 -1.861053302e+00 -1.861053302e+00 3.58 -1.823011257e+00 -1.823011257e+00 3.60 -1.785261359e+00 -1.785261359e+00 3.62 -1.747829390e+00 -1.747829390e+00 3.64 -1.710735713e+00 -1.710735713e+00 3.66 -1.673995676e+00 -1.673995676e+00 3.68 -1.637620108e+00 -1.637620108e+00 3.70 -1.601615818e+00 -1.601615818e+00 3.72 -1.565986057e+00 -1.565986057e+00 3.74 -1.530730900e+00 -1.530730900e+00 3.76 -1.495847548e+00 -1.495847548e+00 3.78 -1.461330582e+00 -1.461330582e+00 3.80 -1.427172213e+00 -1.427172213e+00 3.82 -1.393362580e+00 -1.393362580e+00 3.84 -1.359890128e+00 -1.359890128e+00 3.86 -1.326742066e+00 -1.326742066e+00 3.88 -1.293904870e+00 -1.293904870e+00 3.90 -1.261364796e+00 -1.261364796e+00 3.92 -1.229108125e+00 -1.229108125e+00 3.94 -1.197122581e+00 -1.197122581e+00 3.96 -1.165396185e+00 -1.165396185e+00 3.98 -1.133918782e+00 -1.133918782e+00 4.00 -1.102682276e+00 -1.102682276e+00 4.02 -1.071681300e+00 -1.071681300e+00 4.04 -1.040914090e+00 -1.040914090e+00 4.06 -1.010383556e+00 -1.010383556e+00 4.08 -9.800984883e-01 -9.800984883e-01 4.10 -9.500738197e-01 -9.500738197e-01 4.12 -9.203357563e-01 -9.203357563e-01 4.14 -8.909160857e-01 -8.909160857e-01 4.16 -8.618567617e-01 -8.618567617e-01 4.18 -8.332080461e-01 -8.332080461e-01 4.20 -8.050269764e-01 -8.050269764e-01 4.22 -7.773750107e-01 -7.773750107e-01 4.24 -7.503150264e-01 -7.503150264e-01 4.26 -7.239079646e-01 -7.239079646e-01 4.28 -6.982094761e-01 -6.982094761e-01 4.30 -6.732669171e-01 -6.732669171e-01 4.32 -6.491169747e-01 -6.491169747e-01 4.34 -6.257840885e-01 -6.257840885e-01 4.36 -6.032797127e-01 -6.032797127e-01 4.38 -5.816023621e-01 -5.816023621e-01 4.40 -5.607383143e-01 -5.607383143e-01 4.42 -5.406628110e-01 -5.406628110e-01 4.44 -5.213415966e-01 -5.213415966e-01 4.46 -5.027326512e-01 -5.027326512e-01 4.48 -4.847879944e-01 -4.847879944e-01 4.50 -4.674554678e-01 -4.674554678e-01 4.52 -4.506804273e-01 -4.506804273e-01 4.54 -4.344073062e-01 -4.344073062e-01 4.56 -4.185810295e-01 -4.185810295e-01 4.58 -4.031482854e-01 -4.031482854e-01 4.60 -3.880586683e-01 -3.880586683e-01 4.62 -3.732657214e-01 -3.732657214e-01 4.64 -3.587279011e-01 -3.587279011e-01 4.66 -3.444094823e-01 -3.444094823e-01 4.68 -3.302814046e-01 -3.302814046e-01 4.70 -3.163220448e-01 -3.163220448e-01 4.72 -3.025178746e-01 -3.025178746e-01 4.74 -2.888639493e-01 -2.888639493e-01 4.76 -2.753641541e-01 -2.753641541e-01 4.78 -2.620311365e-01 -2.620311365e-01 4.80 -2.488850937e-01 -2.488850937e-01 4.82 -2.359560922e-01 -2.359560922e-01 4.84 -2.232778133e-01 -2.232778133e-01 4.86 -2.108893700e-01 -2.108893700e-01 4.88 -1.988324712e-01 -1.988324712e-01 4.90 -1.871493519e-01 -1.871493519e-01 4.92 -1.758807110e-01 -1.758807110e-01 4.94 -1.650638107e-01 -1.650638107e-01 4.96 -1.547308674e-01 -1.547308674e-01 4.98 -1.449078262e-01 -1.449078262e-01 5.00 -1.356135657e-01 -1.356135657e-01 5.02 -1.268595295e-01 -1.268595295e-01 5.04 -1.186497531e-01 -1.186497531e-01 5.06 -1.109812246e-01 -1.109812246e-01 5.08 -1.038445024e-01 -1.038445024e-01 5.10 -9.722451664e-02 -9.722451664e-02 5.12 -9.110147792e-02 -9.110147792e-02 5.14 -8.545183929e-02 -8.545183929e-02 5.16 -8.024925674e-02 -8.024925674e-02 5.18 -7.546550574e-02 -7.546550574e-02 5.20 -7.107110156e-02 -7.107110156e-02 5.22 -6.703608239e-02 -6.703608239e-02 5.24 -6.333160433e-02 -6.333160433e-02 5.26 -5.992953915e-02 -5.992953915e-02 5.28 -5.680285750e-02 -5.680285750e-02 5.30 -5.392595211e-02 -5.392595211e-02 5.32 -5.127485142e-02 -5.127485142e-02 5.34 -4.882733837e-02 -4.882733837e-02 5.36 -4.656324900e-02 -4.656324900e-02 5.38 -4.446420331e-02 -4.446420331e-02 5.40 -4.251295072e-02 -4.251295072e-02 5.42 -4.069397651e-02 -4.069397651e-02 5.44 -3.899337247e-02 -3.899337247e-02 5.46 -3.739868948e-02 -3.739868948e-02 5.48 -3.589879414e-02 -3.589879414e-02 5.50 -3.448373298e-02 -3.448373298e-02 5.52 -3.314460633e-02 -3.314460633e-02 5.54 -3.187345288e-02 -3.187345288e-02 5.56 -3.066314529e-02 -3.066314529e-02 5.58 -2.950729665e-02 -2.950729665e-02 5.60 -2.840017725e-02 -2.840017725e-02 5.62 -2.733664153e-02 -2.733664153e-02 5.64 -2.631206380e-02 -2.631206380e-02 5.66 -2.532228296e-02 -2.532228296e-02 5.68 -2.436355553e-02 -2.436355553e-02 5.70 -2.343251640e-02 -2.343251640e-02 5.72 -2.252614675e-02 -2.252614675e-02 5.74 -2.164174897e-02 -2.164174897e-02 5.76 -2.077692783e-02 -2.077692783e-02 5.78 -1.992957770e-02 -1.992957770e-02 5.80 -1.909787490e-02 -1.909787490e-02 5.82 -1.828027473e-02 -1.828027473e-02 5.84 -1.747551218e-02 -1.747551218e-02 5.86 -1.668260526e-02 -1.668260526e-02 5.88 -1.590085983e-02 -1.590085983e-02 5.90 -1.512987432e-02 -1.512987432e-02 5.92 -1.436954298e-02 -1.436954298e-02 5.94 -1.362004310e-02 -1.362004310e-02 5.96 -1.288175556e-02 -1.288175556e-02 5.98 -1.215544224e-02 -1.215544224e-02 6.00 -1.144215015e-02 -1.144215015e-02