# 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 = Mo2NiPt # 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 2.853676235e+02 2.853676235e+02 1.30 2.648101574e+02 2.648101574e+02 1.32 2.456921722e+02 2.456921722e+02 1.34 2.279061387e+02 2.279061387e+02 1.36 2.113626036e+02 2.113626036e+02 1.38 1.959812101e+02 1.959812101e+02 1.40 1.816834236e+02 1.816834236e+02 1.42 1.683894834e+02 1.683894834e+02 1.44 1.560196980e+02 1.560196980e+02 1.46 1.444981688e+02 1.444981688e+02 1.48 1.337561404e+02 1.337561404e+02 1.50 1.237330631e+02 1.237330631e+02 1.52 1.143754393e+02 1.143754393e+02 1.54 1.056348405e+02 1.056348405e+02 1.56 9.746631742e+01 9.746631742e+01 1.58 8.982748322e+01 8.982748322e+01 1.60 8.267801890e+01 8.267801890e+01 1.62 7.597949495e+01 7.597949495e+01 1.64 6.969562415e+01 6.969562415e+01 1.66 6.379299945e+01 6.379299945e+01 1.68 5.824215628e+01 5.824215628e+01 1.70 5.301859649e+01 5.301859649e+01 1.72 4.810326398e+01 4.810326398e+01 1.74 4.348201400e+01 4.348201400e+01 1.76 3.914426960e+01 3.914426960e+01 1.78 3.508461705e+01 3.508461705e+01 1.80 3.131258104e+01 3.131258104e+01 1.82 2.787337122e+01 2.787337122e+01 1.84 2.474702435e+01 2.474702435e+01 1.86 2.190742241e+01 2.190742241e+01 1.88 1.932866804e+01 1.932866804e+01 1.90 1.698574904e+01 1.698574904e+01 1.92 1.485518561e+01 1.485518561e+01 1.94 1.291554230e+01 1.291554230e+01 1.96 1.114771145e+01 1.114771145e+01 1.98 9.534947201e+00 9.534947201e+00 2.00 8.062687677e+00 8.062687677e+00 2.02 6.718236500e+00 6.718236500e+00 2.04 5.490390422e+00 5.490390422e+00 2.06 4.369093550e+00 4.369093550e+00 2.08 3.345169867e+00 3.345169867e+00 2.10 2.410151871e+00 2.410151871e+00 2.12 1.556199386e+00 1.556199386e+00 2.14 7.760899299e-01 7.760899299e-01 2.16 6.325307908e-02 6.325307908e-02 2.18 -5.881862701e-01 -5.881862701e-01 2.20 -1.183390838e+00 -1.183390838e+00 2.22 -1.726842139e+00 -1.726842139e+00 2.24 -2.222420730e+00 -2.222420730e+00 2.26 -2.673518291e+00 -2.673518291e+00 2.28 -3.083157075e+00 -3.083157075e+00 2.30 -3.454095633e+00 -3.454095633e+00 2.32 -3.788908074e+00 -3.788908074e+00 2.34 -4.090032244e+00 -4.090032244e+00 2.36 -4.359789087e+00 -4.359789087e+00 2.38 -4.600381393e+00 -4.600381393e+00 2.40 -4.813884528e+00 -4.813884528e+00 2.42 -5.002241276e+00 -5.002241276e+00 2.44 -5.167267445e+00 -5.167267445e+00 2.46 -5.310667989e+00 -5.310667989e+00 2.48 -5.434058769e+00 -5.434058769e+00 2.50 -5.538986701e+00 -5.538986701e+00 2.52 -5.626939832e+00 -5.626939832e+00 2.54 -5.699188401e+00 -5.699188401e+00 2.56 -5.757028915e+00 -5.757028915e+00 2.58 -5.802947961e+00 -5.802947961e+00 2.60 -5.838290694e+00 -5.838290694e+00 2.62 -5.863789404e+00 -5.863789404e+00 2.64 -5.880013037e+00 -5.880013037e+00 2.66 -5.887403994e+00 -5.887403994e+00 2.68 -5.886327378e+00 -5.886327378e+00 2.70 -5.877049606e+00 -5.877049606e+00 2.72 -5.859502820e+00 -5.859502820e+00 2.74 -5.833605522e+00 -5.833605522e+00 2.76 -5.799379366e+00 -5.799379366e+00 2.78 -5.756930279e+00 -5.756930279e+00 2.80 -5.706428839e+00 -5.706428839e+00 2.82 -5.648096940e+00 -5.648096940e+00 2.84 -5.582203654e+00 -5.582203654e+00 2.86 -5.509070564e+00 -5.509070564e+00 2.88 -5.429084369e+00 -5.429084369e+00 2.90 -5.342698366e+00 -5.342698366e+00 2.92 -5.250380984e+00 -5.250380984e+00 2.94 -5.152688884e+00 -5.152688884e+00 2.96 -5.050290082e+00 -5.050290082e+00 2.98 -4.943937183e+00 -4.943937183e+00 3.00 -4.834426563e+00 -4.834426563e+00 3.02 -4.722548398e+00 -4.722548398e+00 3.04 -4.609035413e+00 -4.609035413e+00 3.06 -4.494518934e+00 -4.494518934e+00 3.08 -4.379498901e+00 -4.379498901e+00 3.10 -4.264330910e+00 -4.264330910e+00 3.12 -4.149229449e+00 -4.149229449e+00 3.14 -4.034283817e+00 -4.034283817e+00 3.16 -3.919482063e+00 -3.919482063e+00 3.18 -3.804738672e+00 -3.804738672e+00 3.20 -3.689922693e+00 -3.689922693e+00 3.22 -3.574884337e+00 -3.574884337e+00 3.24 -3.459479101e+00 -3.459479101e+00 3.26 -3.343589129e+00 -3.343589129e+00 3.28 -3.227141822e+00 -3.227141822e+00 3.30 -3.110163309e+00 -3.110163309e+00 3.32 -2.993000785e+00 -2.993000785e+00 3.34 -2.876160079e+00 -2.876160079e+00 3.36 -2.760192573e+00 -2.760192573e+00 3.38 -2.645683527e+00 -2.645683527e+00 3.40 -2.533233652e+00 -2.533233652e+00 3.42 -2.423435571e+00 -2.423435571e+00 3.44 -2.316847867e+00 -2.316847867e+00 3.46 -2.213969766e+00 -2.213969766e+00 3.48 -2.115219413e+00 -2.115219413e+00 3.50 -2.020918144e+00 -2.020918144e+00 3.52 -1.931282151e+00 -1.931282151e+00 3.54 -1.846421856e+00 -1.846421856e+00 3.56 -1.766348196e+00 -1.766348196e+00 3.58 -1.690984292e+00 -1.690984292e+00 3.60 -1.620180554e+00 -1.620180554e+00 3.62 -1.553731284e+00 -1.553731284e+00 3.64 -1.491391122e+00 -1.491391122e+00 3.66 -1.432890097e+00 -1.432890097e+00 3.68 -1.377946541e+00 -1.377946541e+00 3.70 -1.326277548e+00 -1.326277548e+00 3.72 -1.277606941e+00 -1.277606941e+00 3.74 -1.231670968e+00 -1.231670968e+00 3.76 -1.188222012e+00 -1.188222012e+00 3.78 -1.147030680e+00 -1.147030680e+00 3.80 -1.107886582e+00 -1.107886582e+00 3.82 -1.070598132e+00 -1.070598132e+00 3.84 -1.034991631e+00 -1.034991631e+00 3.86 -1.000909882e+00 -1.000909882e+00 3.88 -9.682105453e-01 -9.682105453e-01 3.90 -9.367644416e-01 -9.367644416e-01 3.92 -9.064539664e-01 -9.064539664e-01 3.94 -8.771717612e-01 -8.771717612e-01 3.96 -8.488197217e-01 -8.488197217e-01 3.98 -8.213084174e-01 -8.213084174e-01 4.00 -7.945569061e-01 -7.945569061e-01 4.02 -7.684929098e-01 -7.684929098e-01 4.04 -7.430532731e-01 -7.430532731e-01 4.06 -7.181845933e-01 -7.181845933e-01 4.08 -6.938438868e-01 -6.938438868e-01 4.10 -6.699991401e-01 -6.699991401e-01 4.12 -6.466295393e-01 -6.466295393e-01 4.14 -6.237253220e-01 -6.237253220e-01 4.16 -6.012875321e-01 -6.012875321e-01 4.18 -5.793243057e-01 -5.793243057e-01 4.20 -5.578502889e-01 -5.578502889e-01 4.22 -5.368841413e-01 -5.368841413e-01 4.24 -5.164454451e-01 -5.164454451e-01 4.26 -4.965517978e-01 -4.965517978e-01 4.28 -4.772164003e-01 -4.772164003e-01 4.30 -4.584464050e-01 -4.584464050e-01 4.32 -4.402421722e-01 -4.402421722e-01 4.34 -4.225974356e-01 -4.225974356e-01 4.36 -4.055002323e-01 -4.055002323e-01 4.38 -3.889343408e-01 -3.889343408e-01 4.40 -3.728809120e-01 -3.728809120e-01 4.42 -3.573199879e-01 -3.573199879e-01 4.44 -3.422316540e-01 -3.422316540e-01 4.46 -3.275966743e-01 -3.275966743e-01 4.48 -3.133965669e-01 -3.133965669e-01 4.50 -2.996131998e-01 -2.996131998e-01 4.52 -2.862280539e-01 -2.862280539e-01 4.54 -2.732211851e-01 -2.732211851e-01 4.56 -2.605711671e-01 -2.605711671e-01 4.58 -2.482543866e-01 -2.482543866e-01 4.60 -2.362450405e-01 -2.362450405e-01 4.62 -2.245158328e-01 -2.245158328e-01 4.64 -2.130391353e-01 -2.130391353e-01 4.66 -2.017885192e-01 -2.017885192e-01 4.68 -1.907405118e-01 -1.907405118e-01 4.70 -1.798764070e-01 -1.798764070e-01 4.72 -1.691839474e-01 -1.691839474e-01 4.74 -1.586587057e-01 -1.586587057e-01 4.76 -1.483050135e-01 -1.483050135e-01 4.78 -1.381363137e-01 -1.381363137e-01 4.80 -1.281748593e-01 -1.281748593e-01 4.82 -1.184507365e-01 -1.184507365e-01 4.84 -1.090002470e-01 -1.090002470e-01 4.86 -9.986376710e-02 -9.986376710e-02 4.88 -9.108324987e-02 -9.108324987e-02 4.90 -8.269959080e-02 -8.269959080e-02 4.92 -7.475009441e-02 -7.475009441e-02 4.94 -6.726626648e-02 -6.726626648e-02 4.96 -6.027211258e-02 -6.027211258e-02 4.98 -5.378305628e-02 -5.378305628e-02 5.00 -4.780551059e-02 -4.780551059e-02 5.02 -4.233707217e-02 -4.233707217e-02 5.04 -3.736723363e-02 -3.736723363e-02 5.06 -3.287846514e-02 -3.287846514e-02 5.08 -2.884753654e-02 -2.884753654e-02 5.10 -2.524692660e-02 -2.524692660e-02 5.12 -2.204623728e-02 -2.204623728e-02 5.14 -1.921347219e-02 -1.921347219e-02 5.16 -1.671609784e-02 -1.671609784e-02 5.18 -1.452158396e-02 -1.452158396e-02 5.20 -1.259921626e-02 -1.259921626e-02 5.22 -1.091994128e-02 -1.091994128e-02 5.24 -9.456524789e-03 -9.456524789e-03 5.26 -8.183810042e-03 -8.183810042e-03 5.28 -7.078838363e-03 -7.078838363e-03 5.30 -6.120866129e-03 -6.120866129e-03 5.32 -5.291307239e-03 -5.291307239e-03 5.34 -4.573625086e-03 -4.573625086e-03 5.36 -3.953192959e-03 -3.953192959e-03 5.38 -3.417137362e-03 -3.417137362e-03 5.40 -2.954174935e-03 -2.954174935e-03 5.42 -2.554450532e-03 -2.554450532e-03 5.44 -2.209381594e-03 -2.209381594e-03 5.46 -1.911512038e-03 -1.911512038e-03 5.48 -1.654377511e-03 -1.654377511e-03 5.50 -1.432382819e-03 -1.432382819e-03 5.52 -1.240691651e-03 -1.240691651e-03 5.54 -1.075128233e-03 -1.075128233e-03 5.56 -9.320902383e-04 -9.320902383e-04 5.58 -8.084721182e-04 -8.084721182e-04 5.60 -7.015979330e-04 -7.015979330e-04 5.62 -6.091627319e-04 -6.091627319e-04 5.64 -5.291815639e-04 -5.291815639e-04 5.66 -4.599452460e-04 -4.599452460e-04 5.68 -3.999820764e-04 -3.999820764e-04 5.70 -3.480247550e-04 -3.480247550e-04 5.72 -3.029818453e-04 -3.029818453e-04 5.74 -2.639131823e-04 -2.639131823e-04 5.76 -2.300087021e-04 -2.300087021e-04 5.78 -2.005702296e-04 -2.005702296e-04 5.80 -1.749958208e-04 -1.749958208e-04 5.82 -1.527663053e-04 -1.527663053e-04 5.84 -1.334337246e-04 -1.334337246e-04 5.86 -1.166113989e-04 -1.166113989e-04 5.88 -1.019653956e-04 -1.019653956e-04 5.90 -8.920719883e-05 -8.920719883e-05 5.92 -7.808741343e-05 -7.808741343e-05 5.94 -6.839035344e-05 -6.839035344e-05 5.96 -5.992939199e-05 -5.992939199e-05 5.98 -5.254296337e-05 -5.254296337e-05 6.00 -4.609112495e-05 -4.609112495e-05