# 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 = Ni2PdPt # 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 2.217632435e+02 2.217632435e+02 1.30 2.052414205e+02 2.052414205e+02 1.32 1.898847151e+02 1.898847151e+02 1.34 1.756137139e+02 1.756137139e+02 1.36 1.623572348e+02 1.623572348e+02 1.38 1.500447174e+02 1.500447174e+02 1.40 1.386039946e+02 1.386039946e+02 1.42 1.279634638e+02 1.279634638e+02 1.44 1.180554115e+02 1.180554115e+02 1.46 1.088193292e+02 1.088193292e+02 1.48 1.002043045e+02 1.002043045e+02 1.50 9.216872768e+01 9.216872768e+01 1.52 8.467678573e+01 8.467678573e+01 1.54 7.769382694e+01 7.769382694e+01 1.56 7.118357973e+01 7.118357973e+01 1.58 6.510823962e+01 6.510823962e+01 1.60 5.943020668e+01 5.943020668e+01 1.62 5.411402347e+01 5.411402347e+01 1.64 4.912787563e+01 4.912787563e+01 1.66 4.444449036e+01 4.444449036e+01 1.68 4.006481246e+01 4.006481246e+01 1.70 3.603328681e+01 3.603328681e+01 1.72 3.232951897e+01 3.232951897e+01 1.74 2.893107233e+01 2.893107233e+01 1.76 2.581660224e+01 2.581660224e+01 1.78 2.296538244e+01 2.296538244e+01 1.80 2.035747151e+01 2.035747151e+01 1.82 1.797403622e+01 1.797403622e+01 1.84 1.579751113e+01 1.579751113e+01 1.86 1.381154351e+01 1.381154351e+01 1.88 1.200078091e+01 1.200078091e+01 1.90 1.035061272e+01 1.035061272e+01 1.92 8.847026392e+00 8.847026392e+00 1.94 7.476689005e+00 7.476689005e+00 1.96 6.227212929e+00 6.227212929e+00 1.98 5.087440039e+00 5.087440039e+00 2.00 4.047580244e+00 4.047580244e+00 2.02 3.099148819e+00 3.099148819e+00 2.04 2.234761756e+00 2.234761756e+00 2.06 1.447890766e+00 1.447890766e+00 2.08 7.326516920e-01 7.326516920e-01 2.10 8.365268737e-02 8.365268737e-02 2.12 -5.041013786e-01 -5.041013786e-01 2.14 -1.035261094e+00 -1.035261094e+00 2.16 -1.514155263e+00 -1.514155263e+00 2.18 -1.944798800e+00 -1.944798800e+00 2.20 -2.330898406e+00 -2.330898406e+00 2.22 -2.675862549e+00 -2.675862549e+00 2.24 -2.982815930e+00 -2.982815930e+00 2.26 -3.254617752e+00 -3.254617752e+00 2.28 -3.493887302e+00 -3.493887302e+00 2.30 -3.703042716e+00 -3.703042716e+00 2.32 -3.884353020e+00 -3.884353020e+00 2.34 -4.039991596e+00 -4.039991596e+00 2.36 -4.172324130e+00 -4.172324130e+00 2.38 -4.284844164e+00 -4.284844164e+00 2.40 -4.379271398e+00 -4.379271398e+00 2.42 -4.456994473e+00 -4.456994473e+00 2.44 -4.519390251e+00 -4.519390251e+00 2.46 -4.567813314e+00 -4.567813314e+00 2.48 -4.603592928e+00 -4.603592928e+00 2.50 -4.628028818e+00 -4.628028818e+00 2.52 -4.642378282e+00 -4.642378282e+00 2.54 -4.647828793e+00 -4.647828793e+00 2.56 -4.645460806e+00 -4.645460806e+00 2.58 -4.636218710e+00 -4.636218710e+00 2.60 -4.620887535e+00 -4.620887535e+00 2.62 -4.600145180e+00 -4.600145180e+00 2.64 -4.574757969e+00 -4.574757969e+00 2.66 -4.545002646e+00 -4.545002646e+00 2.68 -4.511021211e+00 -4.511021211e+00 2.70 -4.472764964e+00 -4.472764964e+00 2.72 -4.430188338e+00 -4.430188338e+00 2.74 -4.383336382e+00 -4.383336382e+00 2.76 -4.332326687e+00 -4.332326687e+00 2.78 -4.277327163e+00 -4.277327163e+00 2.80 -4.218546033e+00 -4.218546033e+00 2.82 -4.156236524e+00 -4.156236524e+00 2.84 -4.090656557e+00 -4.090656557e+00 2.86 -4.022067407e+00 -4.022067407e+00 2.88 -3.950746950e+00 -3.950746950e+00 2.90 -3.877005545e+00 -3.877005545e+00 2.92 -3.801198741e+00 -3.801198741e+00 2.94 -3.723731653e+00 -3.723731653e+00 2.96 -3.645051761e+00 -3.645051761e+00 2.98 -3.565629836e+00 -3.565629836e+00 3.00 -3.485932006e+00 -3.485932006e+00 3.02 -3.406388752e+00 -3.406388752e+00 3.04 -3.327367732e+00 -3.327367732e+00 3.06 -3.249156175e+00 -3.249156175e+00 3.08 -3.171955541e+00 -3.171955541e+00 3.10 -3.095904108e+00 -3.095904108e+00 3.12 -3.021158622e+00 -3.021158622e+00 3.14 -2.947823025e+00 -2.947823025e+00 3.16 -2.875934716e+00 -2.875934716e+00 3.18 -2.805489795e+00 -2.805489795e+00 3.20 -2.736461916e+00 -2.736461916e+00 3.22 -2.668815026e+00 -2.668815026e+00 3.24 -2.602511205e+00 -2.602511205e+00 3.26 -2.537514979e+00 -2.537514979e+00 3.28 -2.473795332e+00 -2.473795332e+00 3.30 -2.411326305e+00 -2.411326305e+00 3.32 -2.350086755e+00 -2.350086755e+00 3.34 -2.290059612e+00 -2.290059612e+00 3.36 -2.231230800e+00 -2.231230800e+00 3.38 -2.173587962e+00 -2.173587962e+00 3.40 -2.117119066e+00 -2.117119066e+00 3.42 -2.061811047e+00 -2.061811047e+00 3.44 -2.007648580e+00 -2.007648580e+00 3.46 -1.954613138e+00 -1.954613138e+00 3.48 -1.902682423e+00 -1.902682423e+00 3.50 -1.851830216e+00 -1.851830216e+00 3.52 -1.802026654e+00 -1.802026654e+00 3.54 -1.753238846e+00 -1.753238846e+00 3.56 -1.705431740e+00 -1.705431740e+00 3.58 -1.658569096e+00 -1.658569096e+00 3.60 -1.612614435e+00 -1.612614435e+00 3.62 -1.567531888e+00 -1.567531888e+00 3.64 -1.523286895e+00 -1.523286895e+00 3.66 -1.479846778e+00 -1.479846778e+00 3.68 -1.437181271e+00 -1.437181271e+00 3.70 -1.395263085e+00 -1.395263085e+00 3.72 -1.354068618e+00 -1.354068618e+00 3.74 -1.313578824e+00 -1.313578824e+00 3.76 -1.273780231e+00 -1.273780231e+00 3.78 -1.234665955e+00 -1.234665955e+00 3.80 -1.196236524e+00 -1.196236524e+00 3.82 -1.158500218e+00 -1.158500218e+00 3.84 -1.121472677e+00 -1.121472677e+00 3.86 -1.085175601e+00 -1.085175601e+00 3.88 -1.049634515e+00 -1.049634515e+00 3.90 -1.014875791e+00 -1.014875791e+00 3.92 -9.809233177e-01 -9.809233177e-01 3.94 -9.477953485e-01 -9.477953485e-01 3.96 -9.155020308e-01 -9.155020308e-01 3.98 -8.840440664e-01 -8.840440664e-01 4.00 -8.534126730e-01 -8.534126730e-01 4.02 -8.235908041e-01 -8.235908041e-01 4.04 -7.945553614e-01 -7.945553614e-01 4.06 -7.662799979e-01 -7.662799979e-01 4.08 -7.387380660e-01 -7.387380660e-01 4.10 -7.119052929e-01 -7.119052929e-01 4.12 -6.857618732e-01 -6.857618732e-01 4.14 -6.602937023e-01 -6.602937023e-01 4.16 -6.354927152e-01 -6.354927152e-01 4.18 -6.113562900e-01 -6.113562900e-01 4.20 -5.878858613e-01 -5.878858613e-01 4.22 -5.650849713e-01 -5.650849713e-01 4.24 -5.429570558e-01 -5.429570558e-01 4.26 -5.215033046e-01 -5.215033046e-01 4.28 -5.007209064e-01 -5.007209064e-01 4.30 -4.806019204e-01 -4.806019204e-01 4.32 -4.611328930e-01 -4.611328930e-01 4.34 -4.422952071e-01 -4.422952071e-01 4.36 -4.240660246e-01 -4.240660246e-01 4.38 -4.064195953e-01 -4.064195953e-01 4.40 -3.893286646e-01 -3.893286646e-01 4.42 -3.727657293e-01 -3.727657293e-01 4.44 -3.567039471e-01 -3.567039471e-01 4.46 -3.411175961e-01 -3.411175961e-01 4.48 -3.259820821e-01 -3.259820821e-01 4.50 -3.112735855e-01 -3.112735855e-01 4.52 -2.969685118e-01 -2.969685118e-01 4.54 -2.830429453e-01 -2.830429453e-01 4.56 -2.694722995e-01 -2.694722995e-01 4.58 -2.562313160e-01 -2.562313160e-01 4.60 -2.432944940e-01 -2.432944940e-01 4.62 -2.306369548e-01 -2.306369548e-01 4.64 -2.182356584e-01 -2.182356584e-01 4.66 -2.060708726e-01 -2.060708726e-01 4.68 -1.941277199e-01 -1.941277199e-01 4.70 -1.823975816e-01 -1.823975816e-01 4.72 -1.708792301e-01 -1.708792301e-01 4.74 -1.595801849e-01 -1.595801849e-01 4.76 -1.485155285e-01 -1.485155285e-01 4.78 -1.377078026e-01 -1.377078026e-01 4.80 -1.271868818e-01 -1.271868818e-01 4.82 -1.169881769e-01 -1.169881769e-01 4.84 -1.071505692e-01 -1.071505692e-01 4.86 -9.771408431e-02 -9.771408431e-02 4.88 -8.871747007e-02 -8.871747007e-02 4.90 -8.019587434e-02 -8.019587434e-02 4.92 -7.217880680e-02 -7.217880680e-02 4.94 -6.468854032e-02 -6.468854032e-02 4.96 -5.773905733e-02 -5.773905733e-02 4.98 -5.133558533e-02 -5.133558533e-02 5.00 -4.547470299e-02 -4.547470299e-02 5.02 -4.014494353e-02 -4.014494353e-02 5.04 -3.532778413e-02 -3.532778413e-02 5.06 -3.099889028e-02 -3.099889028e-02 5.08 -2.712948392e-02 -2.712948392e-02 5.10 -2.368771936e-02 -2.368771936e-02 5.12 -2.063997026e-02 -2.063997026e-02 5.14 -1.795197086e-02 -1.795197086e-02 5.16 -1.558976999e-02 -1.558976999e-02 5.18 -1.352047186e-02 -1.352047186e-02 5.20 -1.171242774e-02 -1.171242774e-02 5.22 -1.013652970e-02 -1.013652970e-02 5.24 -8.766043263e-03 -8.766043263e-03 5.26 -7.576440267e-03 -7.576440267e-03 5.28 -6.545470432e-03 -6.545470432e-03 5.30 -5.653137936e-03 -5.653137936e-03 5.32 -4.881612250e-03 -4.881612250e-03 5.34 -4.215096560e-03 -4.215096560e-03 5.36 -3.639671606e-03 -3.639671606e-03 5.38 -3.143128188e-03 -3.143128188e-03 5.40 -2.714797777e-03 -2.714797777e-03 5.42 -2.345387737e-03 -2.345387737e-03 5.44 -2.026825336e-03 -2.026825336e-03 5.46 -1.752113031e-03 -1.752113031e-03 5.48 -1.515196286e-03 -1.515196286e-03 5.50 -1.310844270e-03 -1.310844270e-03 5.52 -1.134543229e-03 -1.134543229e-03 5.54 -9.824019158e-04 -9.824019158e-04 5.56 -8.510682421e-04 -8.510682421e-04 5.58 -7.376562088e-04 -7.376562088e-04 5.60 -6.396821116e-04 -6.396821116e-04 5.62 -5.550090448e-04 -5.550090448e-04 5.64 -4.817987616e-04 -4.817987616e-04 5.66 -4.184700163e-04 -4.184700163e-04 5.68 -3.636625852e-04 -3.636625852e-04 5.70 -3.162062424e-04 -3.162062424e-04 5.72 -2.750940416e-04 -2.750940416e-04 5.74 -2.394593314e-04 -2.394593314e-04 5.76 -2.085559967e-04 -2.085559967e-04 5.78 -1.817414849e-04 -1.817414849e-04 5.80 -1.584622311e-04 -1.584622311e-04 5.82 -1.382411465e-04 -1.382411465e-04 5.84 -1.206668804e-04 -1.206668804e-04 5.86 -1.053846051e-04 -1.053846051e-04 5.88 -9.208810812e-05 -9.208810812e-05 5.90 -8.051300490e-05 -8.051300490e-05 5.92 -7.043091291e-05 -7.043091291e-05 5.94 -6.164444994e-05 -6.164444994e-05 5.96 -5.398293874e-05 -5.398293874e-05 5.98 -4.729871717e-05 -4.729871717e-05 6.00 -4.146396754e-05 -4.146396754e-05