# 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 = Ag2PbPd # 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 3.181843116e+02 3.181843116e+02 1.30 2.957910306e+02 2.957910306e+02 1.32 2.750148968e+02 2.750148968e+02 1.34 2.557278173e+02 2.557278173e+02 1.36 2.378124269e+02 2.378124269e+02 1.38 2.211608313e+02 2.211608313e+02 1.40 2.056739970e+02 2.056739970e+02 1.42 1.912616460e+02 1.912616460e+02 1.44 1.778422045e+02 1.778422045e+02 1.46 1.653424126e+02 1.653424126e+02 1.48 1.536963011e+02 1.536963011e+02 1.50 1.428435921e+02 1.428435921e+02 1.52 1.327280845e+02 1.327280845e+02 1.54 1.232967096e+02 1.232967096e+02 1.56 1.144993438e+02 1.144993438e+02 1.58 1.062890449e+02 1.062890449e+02 1.60 9.862233163e+01 9.862233163e+01 1.62 9.145938934e+01 9.145938934e+01 1.64 8.476412406e+01 8.476412406e+01 1.66 7.850472431e+01 7.850472431e+01 1.68 7.267104616e+01 7.267104616e+01 1.70 6.724450025e+01 6.724450025e+01 1.72 6.219690016e+01 6.219690016e+01 1.74 5.750152498e+01 5.750152498e+01 1.76 5.313308767e+01 5.313308767e+01 1.78 4.906786983e+01 4.906786983e+01 1.80 4.528389652e+01 4.528389652e+01 1.82 4.176103957e+01 4.176103957e+01 1.84 3.848098539e+01 3.848098539e+01 1.86 3.542705922e+01 3.542705922e+01 1.88 3.258396698e+01 3.258396698e+01 1.90 2.993753694e+01 2.993753694e+01 1.92 2.747454197e+01 2.747454197e+01 1.94 2.518263433e+01 2.518263433e+01 1.96 2.305033093e+01 2.305033093e+01 1.98 2.106699449e+01 2.106699449e+01 2.00 1.922276342e+01 1.922276342e+01 2.02 1.750844054e+01 1.750844054e+01 2.04 1.591537894e+01 1.591537894e+01 2.06 1.443540613e+01 1.443540613e+01 2.08 1.306079874e+01 1.306079874e+01 2.10 1.178428985e+01 1.178428985e+01 2.12 1.059908642e+01 1.059908642e+01 2.14 9.498872769e+00 9.498872769e+00 2.16 8.477799766e+00 8.477799766e+00 2.18 7.530462722e+00 7.530462722e+00 2.20 6.651872849e+00 6.651872849e+00 2.22 5.837429852e+00 5.837429852e+00 2.24 5.082893631e+00 5.082893631e+00 2.26 4.384355057e+00 4.384355057e+00 2.28 3.738202970e+00 3.738202970e+00 2.30 3.141091920e+00 3.141091920e+00 2.32 2.589903193e+00 2.589903193e+00 2.34 2.081714841e+00 2.081714841e+00 2.36 1.613767841e+00 1.613767841e+00 2.38 1.183441541e+00 1.183441541e+00 2.40 7.882352265e-01 7.882352265e-01 2.42 4.257569992e-01 4.257569992e-01 2.44 9.371888506e-02 9.371888506e-02 2.46 -2.100625140e-01 -2.100625140e-01 2.48 -4.876610487e-01 -4.876610487e-01 2.50 -7.410324177e-01 -7.410324177e-01 2.52 -9.720038199e-01 -9.720038199e-01 2.54 -1.182265420e+00 -1.182265420e+00 2.56 -1.373367906e+00 -1.373367906e+00 2.58 -1.546728645e+00 -1.546728645e+00 2.60 -1.703645115e+00 -1.703645115e+00 2.62 -1.845360573e+00 -1.845360573e+00 2.64 -1.973298085e+00 -1.973298085e+00 2.66 -2.088369530e+00 -2.088369530e+00 2.68 -2.191350461e+00 -2.191350461e+00 2.70 -2.282974338e+00 -2.282974338e+00 2.72 -2.363930043e+00 -2.363930043e+00 2.74 -2.434862224e+00 -2.434862224e+00 2.76 -2.496374567e+00 -2.496374567e+00 2.78 -2.549036067e+00 -2.549036067e+00 2.80 -2.593413205e+00 -2.593413205e+00 2.82 -2.630070477e+00 -2.630070477e+00 2.84 -2.659546415e+00 -2.659546415e+00 2.86 -2.682430038e+00 -2.682430038e+00 2.88 -2.699339771e+00 -2.699339771e+00 2.90 -2.710604711e+00 -2.710604711e+00 2.92 -2.716558595e+00 -2.716558595e+00 2.94 -2.717550194e+00 -2.717550194e+00 2.96 -2.713935081e+00 -2.713935081e+00 2.98 -2.706068008e+00 -2.706068008e+00 3.00 -2.694297111e+00 -2.694297111e+00 3.02 -2.678960564e+00 -2.678960564e+00 3.04 -2.660389660e+00 -2.660389660e+00 3.06 -2.638916680e+00 -2.638916680e+00 3.08 -2.614856833e+00 -2.614856833e+00 3.10 -2.588536131e+00 -2.588536131e+00 3.12 -2.560228510e+00 -2.560228510e+00 3.14 -2.530157491e+00 -2.530157491e+00 3.16 -2.498527722e+00 -2.498527722e+00 3.18 -2.465525981e+00 -2.465525981e+00 3.20 -2.431320110e+00 -2.431320110e+00 3.22 -2.396059724e+00 -2.396059724e+00 3.24 -2.359877586e+00 -2.359877586e+00 3.26 -2.322890582e+00 -2.322890582e+00 3.28 -2.285195574e+00 -2.285195574e+00 3.30 -2.246876031e+00 -2.246876031e+00 3.32 -2.208009786e+00 -2.208009786e+00 3.34 -2.168671079e+00 -2.168671079e+00 3.36 -2.128932310e+00 -2.128932310e+00 3.38 -2.088865277e+00 -2.088865277e+00 3.40 -2.048541624e+00 -2.048541624e+00 3.42 -2.008033533e+00 -2.008033533e+00 3.44 -1.967412170e+00 -1.967412170e+00 3.46 -1.926747623e+00 -1.926747623e+00 3.48 -1.886107730e+00 -1.886107730e+00 3.50 -1.845557109e+00 -1.845557109e+00 3.52 -1.805156299e+00 -1.805156299e+00 3.54 -1.764961101e+00 -1.764961101e+00 3.56 -1.725022153e+00 -1.725022153e+00 3.58 -1.685384751e+00 -1.685384751e+00 3.60 -1.646088909e+00 -1.646088909e+00 3.62 -1.607169595e+00 -1.607169595e+00 3.64 -1.568657128e+00 -1.568657128e+00 3.66 -1.530577630e+00 -1.530577630e+00 3.68 -1.492953483e+00 -1.492953483e+00 3.70 -1.455803707e+00 -1.455803707e+00 3.72 -1.419144215e+00 -1.419144215e+00 3.74 -1.382987914e+00 -1.382987914e+00 3.76 -1.347344692e+00 -1.347344692e+00 3.78 -1.312221349e+00 -1.312221349e+00 3.80 -1.277621558e+00 -1.277621558e+00 3.82 -1.243545958e+00 -1.243545958e+00 3.84 -1.209992432e+00 -1.209992432e+00 3.86 -1.176956577e+00 -1.176956577e+00 3.88 -1.144432360e+00 -1.144432360e+00 3.90 -1.112412865e+00 -1.112412865e+00 3.92 -1.080890758e+00 -1.080890758e+00 3.94 -1.049860454e+00 -1.049860454e+00 3.96 -1.019316588e+00 -1.019316588e+00 3.98 -9.892561845e-01 -9.892561845e-01 4.00 -9.596787293e-01 -9.596787293e-01 4.02 -9.305865488e-01 -9.305865488e-01 4.04 -9.019850421e-01 -9.019850421e-01 4.06 -8.738827429e-01 -8.738827429e-01 4.08 -8.462911702e-01 -8.462911702e-01 4.10 -8.192234105e-01 -8.192234105e-01 4.12 -7.926977993e-01 -7.926977993e-01 4.14 -7.667303057e-01 -7.667303057e-01 4.16 -7.413383307e-01 -7.413383307e-01 4.18 -7.165384684e-01 -7.165384684e-01 4.20 -6.923456311e-01 -6.923456311e-01 4.22 -6.687723766e-01 -6.687723766e-01 4.24 -6.458284902e-01 -6.458284902e-01 4.26 -6.235208144e-01 -6.235208144e-01 4.28 -6.018532613e-01 -6.018532613e-01 4.30 -5.808269135e-01 -5.808269135e-01 4.32 -5.604401116e-01 -5.604401116e-01 4.34 -5.406884587e-01 -5.406884587e-01 4.36 -5.215647163e-01 -5.215647163e-01 4.38 -5.030586192e-01 -5.030586192e-01 4.40 -4.851566736e-01 -4.851566736e-01 4.42 -4.678420235e-01 -4.678420235e-01 4.44 -4.510944608e-01 -4.510944608e-01 4.46 -4.348906300e-01 -4.348906300e-01 4.48 -4.192044435e-01 -4.192044435e-01 4.50 -4.040076880e-01 -4.040076880e-01 4.52 -3.892707778e-01 -3.892707778e-01 4.54 -3.749635981e-01 -3.749635981e-01 4.56 -3.610563770e-01 -3.610563770e-01 4.58 -3.475205333e-01 -3.475205333e-01 4.60 -3.343294566e-01 -3.343294566e-01 4.62 -3.214591848e-01 -3.214591848e-01 4.64 -3.088889532e-01 -3.088889532e-01 4.66 -2.966015940e-01 -2.966015940e-01 4.68 -2.845837718e-01 -2.845837718e-01 4.70 -2.728260438e-01 -2.728260438e-01 4.72 -2.613227429e-01 -2.613227429e-01 4.74 -2.500716932e-01 -2.500716932e-01 4.76 -2.390737816e-01 -2.390737816e-01 4.78 -2.283324241e-01 -2.283324241e-01 4.80 -2.178522117e-01 -2.178522117e-01 4.82 -2.076415063e-01 -2.076415063e-01 4.84 -1.977069347e-01 -1.977069347e-01 4.86 -1.880564215e-01 -1.880564215e-01 4.88 -1.786979616e-01 -1.786979616e-01 4.90 -1.696394152e-01 -1.696394152e-01 4.92 -1.608883885e-01 -1.608883885e-01 4.94 -1.524521562e-01 -1.524521562e-01 4.96 -1.443375793e-01 -1.443375793e-01 4.98 -1.365509749e-01 -1.365509749e-01 5.00 -1.290979156e-01 -1.290979156e-01 5.02 -1.219829499e-01 -1.219829499e-01 5.04 -1.152092711e-01 -1.152092711e-01 5.06 -1.087783712e-01 -1.087783712e-01 5.08 -1.026897240e-01 -1.026897240e-01 5.10 -9.694054805e-02 -9.694054805e-02 5.12 -9.152567823e-02 -9.152567823e-02 5.14 -8.643757578e-02 -8.643757578e-02 5.16 -8.166647189e-02 -8.166647189e-02 5.18 -7.720062819e-02 -7.720062819e-02 5.20 -7.302645197e-02 -7.302645197e-02 5.22 -6.912899415e-02 -6.912899415e-02 5.24 -6.549327052e-02 -6.549327052e-02 5.26 -6.210374851e-02 -6.210374851e-02 5.28 -5.894469513e-02 -5.894469513e-02 5.30 -5.600050391e-02 -5.600050391e-02 5.32 -5.325594438e-02 -5.325594438e-02 5.34 -5.069633710e-02 -5.069633710e-02 5.36 -4.830762425e-02 -4.830762425e-02 5.38 -4.607646805e-02 -4.607646805e-02 5.40 -4.399036789e-02 -4.399036789e-02 5.42 -4.203754914e-02 -4.203754914e-02 5.44 -4.020694937e-02 -4.020694937e-02 5.46 -3.848819871e-02 -3.848819871e-02 5.48 -3.687159664e-02 -3.687159664e-02 5.50 -3.534808793e-02 -3.534808793e-02 5.52 -3.390923880e-02 -3.390923880e-02 5.54 -3.254721332e-02 -3.254721332e-02 5.56 -3.125474974e-02 -3.125474974e-02 5.58 -3.002513636e-02 -3.002513636e-02 5.60 -2.885218662e-02 -2.885218662e-02 5.62 -2.773021357e-02 -2.773021357e-02 5.64 -2.665400354e-02 -2.665400354e-02 5.66 -2.561879044e-02 -2.561879044e-02 5.68 -2.462023065e-02 -2.462023065e-02 5.70 -2.365437951e-02 -2.365437951e-02 5.72 -2.271766999e-02 -2.271766999e-02 5.74 -2.180689422e-02 -2.180689422e-02 5.76 -2.091918828e-02 -2.091918828e-02 5.78 -2.005202061e-02 -2.005202061e-02 5.80 -1.920318398e-02 -1.920318398e-02 5.82 -1.837079087e-02 -1.837079087e-02 5.84 -1.755327175e-02 -1.755327175e-02 5.86 -1.674937569e-02 -1.674937569e-02 5.88 -1.595817203e-02 -1.595817203e-02 5.90 -1.517905209e-02 -1.517905209e-02 5.92 -1.441172931e-02 -1.441172931e-02 5.94 -1.365621962e-02 -1.365621962e-02 5.96 -1.291276894e-02 -1.291276894e-02 5.98 -1.218202597e-02 -1.218202597e-02 6.00 -1.146493458e-02 -1.146493458e-02