# 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 = AgPd2W # 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 3.756320296e+02 3.756320296e+02 1.30 3.481520345e+02 3.481520345e+02 1.32 3.226947895e+02 3.226947895e+02 1.34 2.991011451e+02 2.991011451e+02 1.36 2.772289720e+02 2.772289720e+02 1.38 2.569492409e+02 2.569492409e+02 1.40 2.381427388e+02 2.381427388e+02 1.42 2.206977961e+02 2.206977961e+02 1.44 2.045095318e+02 2.045095318e+02 1.46 1.894802851e+02 1.894802851e+02 1.48 1.755200452e+02 1.755200452e+02 1.50 1.625461504e+02 1.625461504e+02 1.52 1.504825304e+02 1.504825304e+02 1.54 1.392590548e+02 1.392590548e+02 1.56 1.288111342e+02 1.288111342e+02 1.58 1.190793968e+02 1.190793968e+02 1.60 1.100093629e+02 1.100093629e+02 1.62 1.015512000e+02 1.015512000e+02 1.64 9.365956064e+01 9.365956064e+01 1.66 8.629336174e+01 8.629336174e+01 1.68 7.941538827e+01 7.941538827e+01 1.70 7.299175647e+01 7.299175647e+01 1.72 6.699157506e+01 6.699157506e+01 1.74 6.138681362e+01 6.138681362e+01 1.76 5.615134803e+01 5.615134803e+01 1.78 5.126170956e+01 5.126170956e+01 1.80 4.671717397e+01 4.671717397e+01 1.82 4.251802843e+01 4.251802843e+01 1.84 3.864214059e+01 3.864214059e+01 1.86 3.506816515e+01 3.506816515e+01 1.88 3.177515431e+01 3.177515431e+01 1.90 2.874247795e+01 2.874247795e+01 1.92 2.595006293e+01 2.595006293e+01 1.94 2.337879823e+01 2.337879823e+01 1.96 2.101090274e+01 2.101090274e+01 1.98 1.883011302e+01 1.883011302e+01 2.00 1.682166213e+01 1.682166213e+01 2.02 1.497211087e+01 1.497211087e+01 2.04 1.326912314e+01 1.326912314e+01 2.06 1.170126029e+01 1.170126029e+01 2.08 1.025783476e+01 1.025783476e+01 2.10 8.928832991e+00 8.928832991e+00 2.12 7.704900163e+00 7.704900163e+00 2.14 6.577368075e+00 6.577368075e+00 2.16 5.538300765e+00 5.538300765e+00 2.18 4.580530830e+00 4.580530830e+00 2.20 3.697665603e+00 3.697665603e+00 2.22 2.884054207e+00 2.884054207e+00 2.24 2.134718967e+00 2.134718967e+00 2.26 1.445263185e+00 1.445263185e+00 2.28 8.117698504e-01 8.117698504e-01 2.30 2.307835534e-01 2.307835534e-01 2.32 -3.009519254e-01 -3.009519254e-01 2.34 -7.865732069e-01 -7.865732069e-01 2.36 -1.229026672e+00 -1.229026672e+00 2.38 -1.631122298e+00 -1.631122298e+00 2.40 -1.995571129e+00 -1.995571129e+00 2.42 -2.325008014e+00 -2.325008014e+00 2.44 -2.621965010e+00 -2.621965010e+00 2.46 -2.888648445e+00 -2.888648445e+00 2.48 -3.127135673e+00 -3.127135673e+00 2.50 -3.339486923e+00 -3.339486923e+00 2.52 -3.527701903e+00 -3.527701903e+00 2.54 -3.693674751e+00 -3.693674751e+00 2.56 -3.839156804e+00 -3.839156804e+00 2.58 -3.965735819e+00 -3.965735819e+00 2.60 -4.074834670e+00 -4.074834670e+00 2.62 -4.167725414e+00 -4.167725414e+00 2.64 -4.245550655e+00 -4.245550655e+00 2.66 -4.309344847e+00 -4.309344847e+00 2.68 -4.360051789e+00 -4.360051789e+00 2.70 -4.398537985e+00 -4.398537985e+00 2.72 -4.425603254e+00 -4.425603254e+00 2.74 -4.441989982e+00 -4.441989982e+00 2.76 -4.448391729e+00 -4.448391729e+00 2.78 -4.445920399e+00 -4.445920399e+00 2.80 -4.435414446e+00 -4.435414446e+00 2.82 -4.417138945e+00 -4.417138945e+00 2.84 -4.391405490e+00 -4.391405490e+00 2.86 -4.358570683e+00 -4.358570683e+00 2.88 -4.319035324e+00 -4.319035324e+00 2.90 -4.273350703e+00 -4.273350703e+00 2.92 -4.221992667e+00 -4.221992667e+00 2.94 -4.165244793e+00 -4.165244793e+00 2.96 -4.103528465e+00 -4.103528465e+00 2.98 -4.037311748e+00 -4.037311748e+00 3.00 -3.967077046e+00 -3.967077046e+00 3.02 -3.893325874e+00 -3.893325874e+00 3.04 -3.816570305e+00 -3.816570305e+00 3.06 -3.737298850e+00 -3.737298850e+00 3.08 -3.655965551e+00 -3.655965551e+00 3.10 -3.572981306e+00 -3.572981306e+00 3.12 -3.488706360e+00 -3.488706360e+00 3.14 -3.403445198e+00 -3.403445198e+00 3.16 -3.317445032e+00 -3.317445032e+00 3.18 -3.230898439e+00 -3.230898439e+00 3.20 -3.143949962e+00 -3.143949962e+00 3.22 -3.056705850e+00 -3.056705850e+00 3.24 -2.969245761e+00 -2.969245761e+00 3.26 -2.881635280e+00 -2.881635280e+00 3.28 -2.793938239e+00 -2.793938239e+00 3.30 -2.706228048e+00 -2.706228048e+00 3.32 -2.618597441e+00 -2.618597441e+00 3.34 -2.531166136e+00 -2.531166136e+00 3.36 -2.444085976e+00 -2.444085976e+00 3.38 -2.357543181e+00 -2.357543181e+00 3.40 -2.271757450e+00 -2.271757450e+00 3.42 -2.186977824e+00 -2.186977824e+00 3.44 -2.103475473e+00 -2.103475473e+00 3.46 -2.021533861e+00 -2.021533861e+00 3.48 -1.941437081e+00 -1.941437081e+00 3.50 -1.863457368e+00 -1.863457368e+00 3.52 -1.787842945e+00 -1.787842945e+00 3.54 -1.714807336e+00 -1.714807336e+00 3.56 -1.644521062e+00 -1.644521062e+00 3.58 -1.577106349e+00 -1.577106349e+00 3.60 -1.512635060e+00 -1.512635060e+00 3.62 -1.451129707e+00 -1.451129707e+00 3.64 -1.392567064e+00 -1.392567064e+00 3.66 -1.336883735e+00 -1.336883735e+00 3.68 -1.283982944e+00 -1.283982944e+00 3.70 -1.233741839e+00 -1.233741839e+00 3.72 -1.186018729e+00 -1.186018729e+00 3.74 -1.140659807e+00 -1.140659807e+00 3.76 -1.097505083e+00 -1.097505083e+00 3.78 -1.056393366e+00 -1.056393366e+00 3.80 -1.017166272e+00 -1.017166272e+00 3.82 -9.796713026e-01 -9.796713026e-01 3.84 -9.437640932e-01 -9.437640932e-01 3.86 -9.093099544e-01 -9.093099544e-01 3.88 -8.761848551e-01 -8.761848551e-01 3.90 -8.442759817e-01 -8.442759817e-01 3.92 -8.134819997e-01 -8.134819997e-01 3.94 -7.837131346e-01 -7.837131346e-01 3.96 -7.548911380e-01 -7.548911380e-01 3.98 -7.269492019e-01 -7.269492019e-01 4.00 -6.998318157e-01 -6.998318157e-01 4.02 -6.734945358e-01 -6.734945358e-01 4.04 -6.479036005e-01 -6.479036005e-01 4.06 -6.230353012e-01 -6.230353012e-01 4.08 -5.988750239e-01 -5.988750239e-01 4.10 -5.754159049e-01 -5.754159049e-01 4.12 -5.526571094e-01 -5.526571094e-01 4.14 -5.306017848e-01 -5.306017848e-01 4.16 -5.092548707e-01 -5.092548707e-01 4.18 -4.886209417e-01 -4.886209417e-01 4.20 -4.687023089e-01 -4.687023089e-01 4.22 -4.494975579e-01 -4.494975579e-01 4.24 -4.310006282e-01 -4.310006282e-01 4.26 -4.132004445e-01 -4.132004445e-01 4.28 -3.960810191e-01 -3.960810191e-01 4.30 -3.796218833e-01 -3.796218833e-01 4.32 -3.637986885e-01 -3.637986885e-01 4.34 -3.485838353e-01 -3.485838353e-01 4.36 -3.339470388e-01 -3.339470388e-01 4.38 -3.198557947e-01 -3.198557947e-01 4.40 -3.062757648e-01 -3.062757648e-01 4.42 -2.931711322e-01 -2.931711322e-01 4.44 -2.805049861e-01 -2.805049861e-01 4.46 -2.682397901e-01 -2.682397901e-01 4.48 -2.563379666e-01 -2.563379666e-01 4.50 -2.447626062e-01 -2.447626062e-01 4.52 -2.334782894e-01 -2.334782894e-01 4.54 -2.224519928e-01 -2.224519928e-01 4.56 -2.116540408e-01 -2.116540408e-01 4.58 -2.010590589e-01 -2.010590589e-01 4.60 -1.906468770e-01 -1.906468770e-01 4.62 -1.804033277e-01 -1.804033277e-01 4.64 -1.703208771e-01 -1.703208771e-01 4.66 -1.603990217e-01 -1.603990217e-01 4.68 -1.506443869e-01 -1.506443869e-01 4.70 -1.410704698e-01 -1.410704698e-01 4.72 -1.316969900e-01 -1.316969900e-01 4.74 -1.225488463e-01 -1.225488463e-01 4.76 -1.136547155e-01 -1.136547155e-01 4.78 -1.050453802e-01 -1.050453802e-01 4.80 -9.675190755e-02 -9.675190755e-02 4.82 -8.880383595e-02 -8.880383595e-02 4.84 -8.122751989e-02 -8.122751989e-02 4.86 -7.404478679e-02 -7.404478679e-02 4.88 -6.727199298e-02 -6.727199298e-02 4.90 -6.091953040e-02 -6.091953040e-02 4.92 -5.499177095e-02 -5.499177095e-02 4.94 -4.948739026e-02 -4.948739026e-02 4.96 -4.439996981e-02 -4.439996981e-02 4.98 -3.971876727e-02 -3.971876727e-02 5.00 -3.542955700e-02 -3.542955700e-02 5.02 -3.151544920e-02 -3.151544920e-02 5.04 -2.795733158e-02 -2.795733158e-02 5.06 -2.473495837e-02 -2.473495837e-02 5.08 -2.182775508e-02 -2.182775508e-02 5.10 -1.921455184e-02 -1.921455184e-02 5.12 -1.687419728e-02 -1.687419728e-02 5.14 -1.478567694e-02 -1.478567694e-02 5.16 -1.292834876e-02 -1.292834876e-02 5.18 -1.128214531e-02 -1.128214531e-02 5.20 -9.827743019e-03 -9.827743019e-03 5.22 -8.546703622e-03 -8.546703622e-03 5.24 -7.421589300e-03 -7.421589300e-03 5.26 -6.436051045e-03 -6.436051045e-03 5.28 -5.574889620e-03 -5.574889620e-03 5.30 -4.824089159e-03 -4.824089159e-03 5.32 -4.170824715e-03 -4.170824715e-03 5.34 -3.603446254e-03 -3.603446254e-03 5.36 -3.111442508e-03 -3.111442508e-03 5.38 -2.685388695e-03 -2.685388695e-03 5.40 -2.316882216e-03 -2.316882216e-03 5.42 -1.998470293e-03 -1.998470293e-03 5.44 -1.723573107e-03 -1.723573107e-03 5.46 -1.486405439e-03 -1.486405439e-03 5.48 -1.281899219e-03 -1.281899219e-03 5.50 -1.105628838e-03 -1.105628838e-03 5.52 -9.537404994e-04 -9.537404994e-04 5.54 -8.228864675e-04 -8.228864675e-04 5.56 -7.101646806e-04 -7.101646806e-04 5.58 -6.130638983e-04 -6.130638983e-04 5.60 -5.294143442e-04 -5.294143442e-04 5.62 -4.573436409e-04 -4.573436409e-04 5.64 -3.952377317e-04 -3.952377317e-04 5.66 -3.417064218e-04 -3.417064218e-04 5.68 -2.955531378e-04 -2.955531378e-04 5.70 -2.557484992e-04 -2.557484992e-04 5.72 -2.214072991e-04 -2.214072991e-04 5.74 -1.917685165e-04 -1.917685165e-04 5.76 -1.661779998e-04 -1.661779998e-04 5.78 -1.440734999e-04 -1.440734999e-04 5.80 -1.249717532e-04 -1.249717532e-04 5.82 -1.084573529e-04 -1.084573529e-04 5.84 -9.417316945e-05 -9.417316945e-05 5.86 -8.181211463e-05 -8.181211463e-05 5.88 -7.111006554e-05 -7.111006554e-05 5.90 -6.183978846e-05 -6.183978846e-05 5.92 -5.380572413e-05 -5.380572413e-05 5.94 -4.683951353e-05 -4.683951353e-05 5.96 -4.079615992e-05 -4.079615992e-05 5.98 -3.555073705e-05 -3.555073705e-05 6.00 -3.099556579e-05 -3.099556579e-05