# 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 = AuPd2Zr # 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 3.959972215e+02 3.959972215e+02 1.30 3.685720694e+02 3.685720694e+02 1.32 3.431040628e+02 3.431040628e+02 1.34 3.194380331e+02 3.194380331e+02 1.36 2.974331780e+02 2.974331780e+02 1.38 2.769614882e+02 2.769614882e+02 1.40 2.579060554e+02 2.579060554e+02 1.42 2.401599644e+02 2.401599644e+02 1.44 2.236254109e+02 2.236254109e+02 1.46 2.082127504e+02 2.082127504e+02 1.48 1.938395548e+02 1.938395548e+02 1.50 1.804300062e+02 1.804300062e+02 1.52 1.679144511e+02 1.679144511e+02 1.54 1.562288277e+02 1.562288277e+02 1.56 1.453138060e+02 1.453138060e+02 1.58 1.351139377e+02 1.351139377e+02 1.60 1.255773367e+02 1.255773367e+02 1.62 1.166558840e+02 1.166558840e+02 1.64 1.083055906e+02 1.083055906e+02 1.66 1.004866322e+02 1.004866322e+02 1.68 9.316297602e+01 9.316297602e+01 1.70 8.630155099e+01 8.630155099e+01 1.72 7.987141886e+01 7.987141886e+01 1.74 7.384324678e+01 7.384324678e+01 1.76 6.818927512e+01 6.818927512e+01 1.78 6.288359232e+01 6.288359232e+01 1.80 5.790249298e+01 5.790249298e+01 1.82 5.322502855e+01 5.322502855e+01 1.84 4.883501821e+01 4.883501821e+01 1.86 4.472542697e+01 4.472542697e+01 1.88 4.090198862e+01 4.090198862e+01 1.90 3.735253369e+01 3.735253369e+01 1.92 3.405822225e+01 3.405822225e+01 1.94 3.100114906e+01 3.100114906e+01 1.96 2.816453253e+01 2.816453253e+01 1.98 2.553282702e+01 2.553282702e+01 2.00 2.309171476e+01 2.309171476e+01 2.02 2.082798540e+01 2.082798540e+01 2.04 1.872938198e+01 1.872938198e+01 2.06 1.678447224e+01 1.678447224e+01 2.08 1.498257392e+01 1.498257392e+01 2.10 1.331370331e+01 1.331370331e+01 2.12 1.176854107e+01 1.176854107e+01 2.14 1.033839704e+01 1.033839704e+01 2.16 9.015173195e+00 9.015173195e+00 2.18 7.791328650e+00 7.791328650e+00 2.20 6.659860061e+00 6.659860061e+00 2.22 5.614272632e+00 5.614272632e+00 2.24 4.648558086e+00 4.648558086e+00 2.26 3.757172977e+00 3.757172977e+00 2.28 2.935025360e+00 2.935025360e+00 2.30 2.177442683e+00 2.177442683e+00 2.32 1.480144023e+00 1.480144023e+00 2.34 8.391916285e-01 8.391916285e-01 2.36 2.509400523e-01 2.509400523e-01 2.38 -2.880124067e-01 -2.880124067e-01 2.40 -7.808635155e-01 -7.808635155e-01 2.42 -1.230642217e+00 -1.230642217e+00 2.44 -1.640230227e+00 -1.640230227e+00 2.46 -2.012387604e+00 -2.012387604e+00 2.48 -2.349768411e+00 -2.349768411e+00 2.50 -2.654927560e+00 -2.654927560e+00 2.52 -2.930314194e+00 -2.930314194e+00 2.54 -3.178285618e+00 -3.178285618e+00 2.56 -3.401053234e+00 -3.401053234e+00 2.58 -3.600541840e+00 -3.600541840e+00 2.60 -3.778520957e+00 -3.778520957e+00 2.62 -3.936608612e+00 -3.936608612e+00 2.64 -4.076284821e+00 -4.076284821e+00 2.66 -4.198896100e+00 -4.198896100e+00 2.68 -4.305675064e+00 -4.305675064e+00 2.70 -4.397681087e+00 -4.397681087e+00 2.72 -4.475779197e+00 -4.475779197e+00 2.74 -4.540789424e+00 -4.540789424e+00 2.76 -4.593503373e+00 -4.593503373e+00 2.78 -4.634683127e+00 -4.634683127e+00 2.80 -4.665069382e+00 -4.665069382e+00 2.82 -4.685372026e+00 -4.685372026e+00 2.84 -4.696281801e+00 -4.696281801e+00 2.86 -4.698472619e+00 -4.698472619e+00 2.88 -4.692619116e+00 -4.692619116e+00 2.90 -4.679433802e+00 -4.679433802e+00 2.92 -4.659919151e+00 -4.659919151e+00 2.94 -4.634822533e+00 -4.634822533e+00 2.96 -4.604426135e+00 -4.604426135e+00 2.98 -4.569042114e+00 -4.569042114e+00 3.00 -4.528997605e+00 -4.528997605e+00 3.02 -4.484622826e+00 -4.484622826e+00 3.04 -4.436241440e+00 -4.436241440e+00 3.06 -4.384170426e+00 -4.384170426e+00 3.08 -4.328704092e+00 -4.328704092e+00 3.10 -4.270148039e+00 -4.270148039e+00 3.12 -4.208840799e+00 -4.208840799e+00 3.14 -4.145108990e+00 -4.145108990e+00 3.16 -4.079247363e+00 -4.079247363e+00 3.18 -4.011532996e+00 -4.011532996e+00 3.20 -3.942225782e+00 -3.942225782e+00 3.22 -3.871571988e+00 -3.871571988e+00 3.24 -3.799807940e+00 -3.799807940e+00 3.26 -3.727163465e+00 -3.727163465e+00 3.28 -3.653864315e+00 -3.653864315e+00 3.30 -3.580132612e+00 -3.580132612e+00 3.32 -3.506184712e+00 -3.506184712e+00 3.34 -3.432226691e+00 -3.432226691e+00 3.36 -3.358448603e+00 -3.358448603e+00 3.38 -3.285019190e+00 -3.285019190e+00 3.40 -3.212081530e+00 -3.212081530e+00 3.42 -3.139756739e+00 -3.139756739e+00 3.44 -3.068138981e+00 -3.068138981e+00 3.46 -2.997303829e+00 -2.997303829e+00 3.48 -2.927310954e+00 -2.927310954e+00 3.50 -2.858207756e+00 -2.858207756e+00 3.52 -2.790032132e+00 -2.790032132e+00 3.54 -2.722814256e+00 -2.722814256e+00 3.56 -2.656577503e+00 -2.656577503e+00 3.58 -2.591338761e+00 -2.591338761e+00 3.60 -2.527108397e+00 -2.527108397e+00 3.62 -2.463890140e+00 -2.463890140e+00 3.64 -2.401681066e+00 -2.401681066e+00 3.66 -2.340471843e+00 -2.340471843e+00 3.68 -2.280247358e+00 -2.280247358e+00 3.70 -2.220987787e+00 -2.220987787e+00 3.72 -2.162670148e+00 -2.162670148e+00 3.74 -2.105270302e+00 -2.105270302e+00 3.76 -2.048765277e+00 -2.048765277e+00 3.78 -1.993135741e+00 -1.993135741e+00 3.80 -1.938368299e+00 -1.938368299e+00 3.82 -1.884457283e+00 -1.884457283e+00 3.84 -1.831405668e+00 -1.831405668e+00 3.86 -1.779224835e+00 -1.779224835e+00 3.88 -1.727933130e+00 -1.727933130e+00 3.90 -1.677553384e+00 -1.677553384e+00 3.92 -1.628108521e+00 -1.628108521e+00 3.94 -1.579624189e+00 -1.579624189e+00 3.96 -1.532117465e+00 -1.532117465e+00 3.98 -1.485601863e+00 -1.485601863e+00 4.00 -1.440085576e+00 -1.440085576e+00 4.02 -1.395572442e+00 -1.395572442e+00 4.04 -1.352063579e+00 -1.352063579e+00 4.06 -1.309559207e+00 -1.309559207e+00 4.08 -1.268060208e+00 -1.268060208e+00 4.10 -1.227565308e+00 -1.227565308e+00 4.12 -1.188087333e+00 -1.188087333e+00 4.14 -1.149627541e+00 -1.149627541e+00 4.16 -1.112192405e+00 -1.112192405e+00 4.18 -1.075787559e+00 -1.075787559e+00 4.20 -1.040416430e+00 -1.040416430e+00 4.22 -1.006079025e+00 -1.006079025e+00 4.24 -9.727710538e-01 -9.727710538e-01 4.26 -9.404834421e-01 -9.404834421e-01 4.28 -9.092021946e-01 -9.092021946e-01 4.30 -8.789085363e-01 -8.789085363e-01 4.32 -8.495792111e-01 -8.495792111e-01 4.34 -8.211868471e-01 -8.211868471e-01 4.36 -7.937003305e-01 -7.937003305e-01 4.38 -7.670851746e-01 -7.670851746e-01 4.40 -7.413039062e-01 -7.413039062e-01 4.42 -7.163165065e-01 -7.163165065e-01 4.44 -6.920809438e-01 -6.920809438e-01 4.46 -6.685538216e-01 -6.685538216e-01 4.48 -6.456911436e-01 -6.456911436e-01 4.50 -6.234491829e-01 -6.234491829e-01 4.52 -6.017854270e-01 -6.017854270e-01 4.54 -5.806595653e-01 -5.806595653e-01 4.56 -5.600344846e-01 -5.600344846e-01 4.58 -5.398772364e-01 -5.398772364e-01 4.60 -5.201599359e-01 -5.201599359e-01 4.62 -5.008605511e-01 -5.008605511e-01 4.64 -4.819635313e-01 -4.819635313e-01 4.66 -4.634602180e-01 -4.634602180e-01 4.68 -4.453489816e-01 -4.453489816e-01 4.70 -4.276350291e-01 -4.276350291e-01 4.72 -4.103298493e-01 -4.103298493e-01 4.74 -3.934502858e-01 -3.934502858e-01 4.76 -3.770172706e-01 -3.770172706e-01 4.78 -3.610542898e-01 -3.610542898e-01 4.80 -3.455825484e-01 -3.455825484e-01 4.82 -3.306323775e-01 -3.306323775e-01 4.84 -3.162210927e-01 -3.162210927e-01 4.86 -3.023660538e-01 -3.023660538e-01 4.88 -2.890799053e-01 -2.890799053e-01 4.90 -2.763700055e-01 -2.763700055e-01 4.92 -2.642382452e-01 -2.642382452e-01 4.94 -2.526812070e-01 -2.526812070e-01 4.96 -2.416905808e-01 -2.416905808e-01 4.98 -2.312537468e-01 -2.312537468e-01 5.00 -2.213544355e-01 -2.213544355e-01 5.02 -2.119733952e-01 -2.119733952e-01 5.04 -2.030888789e-01 -2.030888789e-01 5.06 -1.946774025e-01 -1.946774025e-01 5.08 -1.867144619e-01 -1.867144619e-01 5.10 -1.791746076e-01 -1.791746076e-01 5.12 -1.720318655e-01 -1.720318655e-01 5.14 -1.652601156e-01 -1.652601156e-01 5.16 -1.588334357e-01 -1.588334357e-01 5.18 -1.527264175e-01 -1.527264175e-01 5.20 -1.469144575e-01 -1.469144575e-01 5.22 -1.413740230e-01 -1.413740230e-01 5.24 -1.360828919e-01 -1.360828919e-01 5.26 -1.310203628e-01 -1.310203628e-01 5.28 -1.261674337e-01 -1.261674337e-01 5.30 -1.215069482e-01 -1.215069482e-01 5.32 -1.170237040e-01 -1.170237040e-01 5.34 -1.127045236e-01 -1.127045236e-01 5.36 -1.085382795e-01 -1.085382795e-01 5.38 -1.045158699e-01 -1.045158699e-01 5.40 -1.006301401e-01 -1.006301401e-01 5.42 -9.687574300e-02 -9.687574300e-02 5.44 -9.324893909e-02 -9.324893909e-02 5.46 -8.974733911e-02 -8.974733911e-02 5.48 -8.636959761e-02 -8.636959761e-02 5.50 -8.311507386e-02 -8.311507386e-02 5.52 -7.998348160e-02 -7.998348160e-02 5.54 -7.697455081e-02 -7.697455081e-02 5.56 -7.408772586e-02 -7.408772586e-02 5.58 -7.132192068e-02 -7.132192068e-02 5.60 -6.867526209e-02 -6.867526209e-02 5.62 -6.614506863e-02 -6.614506863e-02 5.64 -6.372803150e-02 -6.372803150e-02 5.66 -6.142002910e-02 -6.142002910e-02 5.68 -5.921622314e-02 -5.921622314e-02 5.70 -5.711119351e-02 -5.711119351e-02 5.72 -5.509908904e-02 -5.509908904e-02 5.74 -5.317377901e-02 -5.317377901e-02 5.76 -5.132899411e-02 -5.132899411e-02 5.78 -4.955844934e-02 -4.955844934e-02 5.80 -4.785594499e-02 -4.785594499e-02 5.82 -4.621544490e-02 -4.621544490e-02 5.84 -4.463113346e-02 -4.463113346e-02 5.86 -4.309745418e-02 -4.309745418e-02 5.88 -4.160913351e-02 -4.160913351e-02 5.90 -4.016119394e-02 -4.016119394e-02 5.92 -3.874896015e-02 -3.874896015e-02 5.94 -3.736806172e-02 -3.736806172e-02 5.96 -3.601443583e-02 -3.601443583e-02 5.98 -3.468433215e-02 -3.468433215e-02 6.00 -3.337432088e-02 -3.337432088e-02