# 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 = Fe2MoPb # 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 2.988077274e+02 2.988077274e+02 1.30 2.758519321e+02 2.758519321e+02 1.32 2.546565884e+02 2.546565884e+02 1.34 2.350863919e+02 2.350863919e+02 1.36 2.170166214e+02 2.170166214e+02 1.38 2.003291517e+02 2.003291517e+02 1.40 1.849116283e+02 1.849116283e+02 1.42 1.706590840e+02 1.706590840e+02 1.44 1.574758142e+02 1.574758142e+02 1.46 1.452759940e+02 1.452759940e+02 1.48 1.339829670e+02 1.339829670e+02 1.50 1.235278431e+02 1.235278431e+02 1.52 1.138479796e+02 1.138479796e+02 1.54 1.048856277e+02 1.048856277e+02 1.56 9.658690342e+01 9.658690342e+01 1.58 8.890121914e+01 8.890121914e+01 1.60 8.178115902e+01 8.178115902e+01 1.62 7.518268873e+01 7.518268873e+01 1.64 6.906548554e+01 6.906548554e+01 1.66 6.339321479e+01 6.339321479e+01 1.68 5.813353330e+01 5.813353330e+01 1.70 5.325850455e+01 5.325850455e+01 1.72 4.874568211e+01 4.874568211e+01 1.74 4.457842797e+01 4.457842797e+01 1.76 4.073380662e+01 4.073380662e+01 1.78 3.718755204e+01 3.718755204e+01 1.80 3.391592897e+01 3.391592897e+01 1.82 3.089626282e+01 3.089626282e+01 1.84 2.810755020e+01 2.810755020e+01 1.86 2.553087510e+01 2.553087510e+01 1.88 2.314950521e+01 2.314950521e+01 1.90 2.094868392e+01 2.094868392e+01 1.92 1.891525288e+01 1.891525288e+01 1.94 1.703724914e+01 1.703724914e+01 1.96 1.530356000e+01 1.530356000e+01 1.98 1.370369270e+01 1.370369270e+01 2.00 1.222765276e+01 1.222765276e+01 2.02 1.086591553e+01 1.086591553e+01 2.04 9.609458295e+00 9.609458295e+00 2.06 8.449819924e+00 8.449819924e+00 2.08 7.379155057e+00 7.379155057e+00 2.10 6.390264885e+00 6.390264885e+00 2.12 5.476598205e+00 5.476598205e+00 2.14 4.632226879e+00 4.632226879e+00 2.16 3.851808977e+00 3.851808977e+00 2.18 3.130543834e+00 3.130543834e+00 2.20 2.464118692e+00 2.464118692e+00 2.22 1.848652001e+00 1.848652001e+00 2.24 1.280633222e+00 1.280633222e+00 2.26 7.568649654e-01 7.568649654e-01 2.28 2.744070217e-01 2.744070217e-01 2.30 -1.694642899e-01 -1.694642899e-01 2.32 -5.772988931e-01 -5.772988931e-01 2.34 -9.514934108e-01 -9.514934108e-01 2.36 -1.294292603e+00 -1.294292603e+00 2.38 -1.607686354e+00 -1.607686354e+00 2.40 -1.893821746e+00 -1.893821746e+00 2.42 -2.154750168e+00 -2.154750168e+00 2.44 -2.392354281e+00 -2.392354281e+00 2.46 -2.608357622e+00 -2.608357622e+00 2.48 -2.804336402e+00 -2.804336402e+00 2.50 -2.981733319e+00 -2.981733319e+00 2.52 -3.141799605e+00 -3.141799605e+00 2.54 -3.285494112e+00 -3.285494112e+00 2.56 -3.413711341e+00 -3.413711341e+00 2.58 -3.527322700e+00 -3.527322700e+00 2.60 -3.627170837e+00 -3.627170837e+00 2.62 -3.714064522e+00 -3.714064522e+00 2.64 -3.788777409e+00 -3.788777409e+00 2.66 -3.852042427e+00 -3.852042427e+00 2.68 -3.904553266e+00 -3.904553266e+00 2.70 -3.946963424e+00 -3.946963424e+00 2.72 -3.979892006e+00 -3.979892006e+00 2.74 -4.003912903e+00 -4.003912903e+00 2.76 -4.019552839e+00 -4.019552839e+00 2.78 -4.027304003e+00 -4.027304003e+00 2.80 -4.027625444e+00 -4.027625444e+00 2.82 -4.020942679e+00 -4.020942679e+00 2.84 -4.007650189e+00 -4.007650189e+00 2.86 -3.988113487e+00 -3.988113487e+00 2.88 -3.962583804e+00 -3.962583804e+00 2.90 -3.931082743e+00 -3.931082743e+00 2.92 -3.893653684e+00 -3.893653684e+00 2.94 -3.850404312e+00 -3.850404312e+00 2.96 -3.801505309e+00 -3.801505309e+00 2.98 -3.747253507e+00 -3.747253507e+00 3.00 -3.687770575e+00 -3.687770575e+00 3.02 -3.623179888e+00 -3.623179888e+00 3.04 -3.553686103e+00 -3.553686103e+00 3.06 -3.479539025e+00 -3.479539025e+00 3.08 -3.400961247e+00 -3.400961247e+00 3.10 -3.318217878e+00 -3.318217878e+00 3.12 -3.231617756e+00 -3.231617756e+00 3.14 -3.141502158e+00 -3.141502158e+00 3.16 -3.048233076e+00 -3.048233076e+00 3.18 -2.952193599e+00 -2.952193599e+00 3.20 -2.853788434e+00 -2.853788434e+00 3.22 -2.753446668e+00 -2.753446668e+00 3.24 -2.651623912e+00 -2.651623912e+00 3.26 -2.548802182e+00 -2.548802182e+00 3.28 -2.445486605e+00 -2.445486605e+00 3.30 -2.342198761e+00 -2.342198761e+00 3.32 -2.239467192e+00 -2.239467192e+00 3.34 -2.137816070e+00 -2.137816070e+00 3.36 -2.037753278e+00 -2.037753278e+00 3.38 -1.939759096e+00 -1.939759096e+00 3.40 -1.844276046e+00 -1.844276046e+00 3.42 -1.751702248e+00 -1.751702248e+00 3.44 -1.662383321e+00 -1.662383321e+00 3.46 -1.576609468e+00 -1.576609468e+00 3.48 -1.494612105e+00 -1.494612105e+00 3.50 -1.416562136e+00 -1.416562136e+00 3.52 -1.342569523e+00 -1.342569523e+00 3.54 -1.272684370e+00 -1.272684370e+00 3.56 -1.206899719e+00 -1.206899719e+00 3.58 -1.145156163e+00 -1.145156163e+00 3.60 -1.087348165e+00 -1.087348165e+00 3.62 -1.033331736e+00 -1.033331736e+00 3.64 -9.829329475e-01 -9.829329475e-01 3.66 -9.359566411e-01 -9.359566411e-01 3.68 -8.921947110e-01 -8.921947110e-01 3.70 -8.514334308e-01 -8.514334308e-01 3.72 -8.134594595e-01 -8.134594595e-01 3.74 -7.780643687e-01 -7.780643687e-01 3.76 -7.450477239e-01 -7.450477239e-01 3.78 -7.142189388e-01 -7.142189388e-01 3.80 -6.853982081e-01 -6.853982081e-01 3.82 -6.584168255e-01 -6.584168255e-01 3.84 -6.331171846e-01 -6.331171846e-01 3.86 -6.093526688e-01 -6.093526688e-01 3.88 -5.869869900e-01 -5.869869900e-01 3.90 -5.658948581e-01 -5.658948581e-01 3.92 -5.459621183e-01 -5.459621183e-01 3.94 -5.270861253e-01 -5.270861253e-01 3.96 -5.091722712e-01 -5.091722712e-01 3.98 -4.921360022e-01 -4.921360022e-01 4.00 -4.759017027e-01 -4.759017027e-01 4.02 -4.604020755e-01 -4.604020755e-01 4.04 -4.455774420e-01 -4.455774420e-01 4.06 -4.313750079e-01 -4.313750079e-01 4.08 -4.177481271e-01 -4.177481271e-01 4.10 -4.046542787e-01 -4.046542787e-01 4.12 -3.920599021e-01 -3.920599021e-01 4.14 -3.799311357e-01 -3.799311357e-01 4.16 -3.682393467e-01 -3.682393467e-01 4.18 -3.569590358e-01 -3.569590358e-01 4.20 -3.460674108e-01 -3.460674108e-01 4.22 -3.355440154e-01 -3.355440154e-01 4.24 -3.253704078e-01 -3.253704078e-01 4.26 -3.155298842e-01 -3.155298842e-01 4.28 -3.060072418e-01 -3.060072418e-01 4.30 -2.967885757e-01 -2.967885757e-01 4.32 -2.878611059e-01 -2.878611059e-01 4.34 -2.792130294e-01 -2.792130294e-01 4.36 -2.708333941e-01 -2.708333941e-01 4.38 -2.627119919e-01 -2.627119919e-01 4.40 -2.548392662e-01 -2.548392662e-01 4.42 -2.472062342e-01 -2.472062342e-01 4.44 -2.398044195e-01 -2.398044195e-01 4.46 -2.326257944e-01 -2.326257944e-01 4.48 -2.256627304e-01 -2.256627304e-01 4.50 -2.189079557e-01 -2.189079557e-01 4.52 -2.123545176e-01 -2.123545176e-01 4.54 -2.059957507e-01 -2.059957507e-01 4.56 -1.998252484e-01 -1.998252484e-01 4.58 -1.938368382e-01 -1.938368382e-01 4.60 -1.880245599e-01 -1.880245599e-01 4.62 -1.823826461e-01 -1.823826461e-01 4.64 -1.769055052e-01 -1.769055052e-01 4.66 -1.715877056e-01 -1.715877056e-01 4.68 -1.664239622e-01 -1.664239622e-01 4.70 -1.614091241e-01 -1.614091241e-01 4.72 -1.565381638e-01 -1.565381638e-01 4.74 -1.518061672e-01 -1.518061672e-01 4.76 -1.472083260e-01 -1.472083260e-01 4.78 -1.427399306e-01 -1.427399306e-01 4.80 -1.383955695e-01 -1.383955695e-01 4.82 -1.341724353e-01 -1.341724353e-01 4.84 -1.300651470e-01 -1.300651470e-01 4.86 -1.260693603e-01 -1.260693603e-01 4.88 -1.221808234e-01 -1.221808234e-01 4.90 -1.183953843e-01 -1.183953843e-01 4.92 -1.147090002e-01 -1.147090002e-01 4.94 -1.111177514e-01 -1.111177514e-01 4.96 -1.076178599e-01 -1.076178599e-01 4.98 -1.042057120e-01 -1.042057120e-01 5.00 -1.008778848e-01 -1.008778848e-01 5.02 -9.763117785e-02 -9.763117785e-02 5.04 -9.446264817e-02 -9.446264817e-02 5.06 -9.136964709e-02 -9.136964709e-02 5.08 -8.834985705e-02 -8.834985705e-02 5.10 -8.540132839e-02 -8.540132839e-02 5.12 -8.252251064e-02 -8.252251064e-02 5.14 -7.971227534e-02 -7.971227534e-02 5.16 -7.696992668e-02 -7.696992668e-02 5.18 -7.429519607e-02 -7.429519607e-02 5.20 -7.168821750e-02 -7.168821750e-02 5.22 -6.914948142e-02 -6.914948142e-02 5.24 -6.667976656e-02 -6.667976656e-02 5.26 -6.428003469e-02 -6.428003469e-02 5.28 -6.195126228e-02 -6.195126228e-02 5.30 -5.969452563e-02 -5.969452563e-02 5.32 -5.751077756e-02 -5.751077756e-02 5.34 -5.540070845e-02 -5.540070845e-02 5.36 -5.336464627e-02 -5.336464627e-02 5.38 -5.140247799e-02 -5.140247799e-02 5.40 -4.951359766e-02 -4.951359766e-02 5.42 -4.769688324e-02 -4.769688324e-02 5.44 -4.595070198e-02 -4.595070198e-02 5.46 -4.427294119e-02 -4.427294119e-02 5.48 -4.266105962e-02 -4.266105962e-02 5.50 -4.111215350e-02 -4.111215350e-02 5.52 -3.962303103e-02 -3.962303103e-02 5.54 -3.819028961e-02 -3.819028961e-02 5.56 -3.681039099e-02 -3.681039099e-02 5.58 -3.547973088e-02 -3.547973088e-02 5.60 -3.419470069e-02 -3.419470069e-02 5.62 -3.295174039e-02 -3.295174039e-02 5.64 -3.174738192e-02 -3.174738192e-02 5.66 -3.057828489e-02 -3.057828489e-02 5.68 -2.944126504e-02 -2.944126504e-02 5.70 -2.833331687e-02 -2.833331687e-02 5.72 -2.725163227e-02 -2.725163227e-02 5.74 -2.619361633e-02 -2.619361633e-02 5.76 -2.515690180e-02 -2.515690180e-02 5.78 -2.413936306e-02 -2.413936306e-02 5.80 -2.313913045e-02 -2.313913045e-02 5.82 -2.215460506e-02 -2.215460506e-02 5.84 -2.118447419e-02 -2.118447419e-02 5.86 -2.022772675e-02 -2.022772675e-02 5.88 -1.928366804e-02 -1.928366804e-02 5.90 -1.835193249e-02 -1.835193249e-02 5.92 -1.743249304e-02 -1.743249304e-02 5.94 -1.652564008e-02 -1.652564008e-02 5.96 -1.563188850e-02 -1.563188850e-02 5.98 -1.475223386e-02 -1.475223386e-02 6.00 -1.388800527e-02 -1.388800527e-02