# 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 = Au2PdTa # 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 4.027084991e+02 4.027084991e+02 1.30 3.743598551e+02 3.743598551e+02 1.32 3.480651232e+02 3.480651232e+02 1.34 3.236611607e+02 3.236611607e+02 1.36 3.009943440e+02 3.009943440e+02 1.38 2.799217918e+02 2.799217918e+02 1.40 2.603133963e+02 2.603133963e+02 1.42 2.420528479e+02 2.420528479e+02 1.44 2.250373336e+02 2.250373336e+02 1.46 2.091762983e+02 2.091762983e+02 1.48 1.943895170e+02 1.943895170e+02 1.50 1.806047260e+02 1.806047260e+02 1.52 1.677553068e+02 1.677553068e+02 1.54 1.557784530e+02 1.557784530e+02 1.56 1.446140028e+02 1.446140028e+02 1.58 1.342040122e+02 1.342040122e+02 1.60 1.244929930e+02 1.244929930e+02 1.62 1.154284814e+02 1.154284814e+02 1.64 1.069615612e+02 1.069615612e+02 1.66 9.904716912e+01 9.904716912e+01 1.68 9.164414760e+01 9.164414760e+01 1.70 8.471503850e+01 8.471503850e+01 1.72 7.822568470e+01 7.822568470e+01 1.74 7.214478184e+01 7.214478184e+01 1.76 6.644348804e+01 6.644348804e+01 1.78 6.109509968e+01 6.109509968e+01 1.80 5.607546823e+01 5.607546823e+01 1.82 5.136537495e+01 5.136537495e+01 1.84 4.694822650e+01 4.694822650e+01 1.86 4.283267084e+01 4.283267084e+01 1.88 3.900763855e+01 3.900763855e+01 1.90 3.545399882e+01 3.545399882e+01 1.92 3.215473399e+01 3.215473399e+01 1.94 2.909455138e+01 2.909455138e+01 1.96 2.625943028e+01 2.625943028e+01 1.98 2.363619507e+01 2.363619507e+01 2.00 2.121217541e+01 2.121217541e+01 2.02 1.897497861e+01 1.897497861e+01 2.04 1.691237950e+01 1.691237950e+01 2.06 1.501232362e+01 1.501232362e+01 2.08 1.326302484e+01 1.326302484e+01 2.10 1.165312008e+01 1.165312008e+01 2.12 1.017183334e+01 1.017183334e+01 2.14 8.809106846e+00 8.809106846e+00 2.16 7.555674961e+00 7.555674961e+00 2.18 6.403077197e+00 6.403077197e+00 2.20 5.343622020e+00 5.343622020e+00 2.22 4.370319692e+00 4.370319692e+00 2.24 3.476800684e+00 3.476800684e+00 2.26 2.657230809e+00 2.657230809e+00 2.28 1.906229718e+00 1.906229718e+00 2.30 1.218797825e+00 1.218797825e+00 2.32 5.902568787e-01 5.902568787e-01 2.34 1.620907352e-02 1.620907352e-02 2.36 -5.074826864e-01 -5.074826864e-01 2.38 -9.846949503e-01 -9.846949503e-01 2.40 -1.419030834e+00 -1.419030834e+00 2.42 -1.813804315e+00 -1.813804315e+00 2.44 -2.172032663e+00 -2.172032663e+00 2.46 -2.496346821e+00 -2.496346821e+00 2.48 -2.789228767e+00 -2.789228767e+00 2.50 -3.053087042e+00 -3.053087042e+00 2.52 -3.290109410e+00 -3.290109410e+00 2.54 -3.502314892e+00 -3.502314892e+00 2.56 -3.691593884e+00 -3.691593884e+00 2.58 -3.859732522e+00 -3.859732522e+00 2.60 -4.008326807e+00 -4.008326807e+00 2.62 -4.138678501e+00 -4.138678501e+00 2.64 -4.252037717e+00 -4.252037717e+00 2.66 -4.349611620e+00 -4.349611620e+00 2.68 -4.432536275e+00 -4.432536275e+00 2.70 -4.501859967e+00 -4.501859967e+00 2.72 -4.558538487e+00 -4.558538487e+00 2.74 -4.603440125e+00 -4.603440125e+00 2.76 -4.637356570e+00 -4.637356570e+00 2.78 -4.661015991e+00 -4.661015991e+00 2.80 -4.675095710e+00 -4.675095710e+00 2.82 -4.680253948e+00 -4.680253948e+00 2.84 -4.677419262e+00 -4.677419262e+00 2.86 -4.667138332e+00 -4.667138332e+00 2.88 -4.649934727e+00 -4.649934727e+00 2.90 -4.626158149e+00 -4.626158149e+00 2.92 -4.596106579e+00 -4.596106579e+00 2.94 -4.560110555e+00 -4.560110555e+00 2.96 -4.518522846e+00 -4.518522846e+00 2.98 -4.471711342e+00 -4.471711342e+00 3.00 -4.420085849e+00 -4.420085849e+00 3.02 -4.364073651e+00 -4.364073651e+00 3.04 -4.304080335e+00 -4.304080335e+00 3.06 -4.240477625e+00 -4.240477625e+00 3.08 -4.173609398e+00 -4.173609398e+00 3.10 -4.103796556e+00 -4.103796556e+00 3.12 -4.031336210e+00 -4.031336210e+00 3.14 -3.956502233e+00 -3.956502233e+00 3.16 -3.879547924e+00 -3.879547924e+00 3.18 -3.800710953e+00 -3.800710953e+00 3.20 -3.720220044e+00 -3.720220044e+00 3.22 -3.638302363e+00 -3.638302363e+00 3.24 -3.555190286e+00 -3.555190286e+00 3.26 -3.471126276e+00 -3.471126276e+00 3.28 -3.386364888e+00 -3.386364888e+00 3.30 -3.301171360e+00 -3.301171360e+00 3.32 -3.215816828e+00 -3.215816828e+00 3.34 -3.130570731e+00 -3.130570731e+00 3.36 -3.045691444e+00 -3.045691444e+00 3.38 -2.961416469e+00 -2.961416469e+00 3.40 -2.877953510e+00 -2.877953510e+00 3.42 -2.795473584e+00 -2.795473584e+00 3.44 -2.714106865e+00 -2.714106865e+00 3.46 -2.633941543e+00 -2.633941543e+00 3.48 -2.555025485e+00 -2.555025485e+00 3.50 -2.477370218e+00 -2.477370218e+00 3.52 -2.400956578e+00 -2.400956578e+00 3.54 -2.325741356e+00 -2.325741356e+00 3.56 -2.251664392e+00 -2.251664392e+00 3.58 -2.178655680e+00 -2.178655680e+00 3.60 -2.106642218e+00 -2.106642218e+00 3.62 -2.035554429e+00 -2.035554429e+00 3.64 -1.965332066e+00 -1.965332066e+00 3.66 -1.895929498e+00 -1.895929498e+00 3.68 -1.827320284e+00 -1.827320284e+00 3.70 -1.759500878e+00 -1.759500878e+00 3.72 -1.692493239e+00 -1.692493239e+00 3.74 -1.626346132e+00 -1.626346132e+00 3.76 -1.561134863e+00 -1.561134863e+00 3.78 -1.496959306e+00 -1.496959306e+00 3.80 -1.433940148e+00 -1.433940148e+00 3.82 -1.372213489e+00 -1.372213489e+00 3.84 -1.311924103e+00 -1.311924103e+00 3.86 -1.253217854e+00 -1.253217854e+00 3.88 -1.196233912e+00 -1.196233912e+00 3.90 -1.141097444e+00 -1.141097444e+00 3.92 -1.087913429e+00 -1.087913429e+00 3.94 -1.036762127e+00 -1.036762127e+00 3.96 -9.876964796e-01 -9.876964796e-01 3.98 -9.407415450e-01 -9.407415450e-01 4.00 -8.958957863e-01 -8.958957863e-01 4.02 -8.531338793e-01 -8.531338793e-01 4.04 -8.124105698e-01 -8.124105698e-01 4.06 -7.736650714e-01 -7.736650714e-01 4.08 -7.368255181e-01 -7.368255181e-01 4.10 -7.018130714e-01 -7.018130714e-01 4.12 -6.685454185e-01 -6.685454185e-01 4.14 -6.369394910e-01 -6.369394910e-01 4.16 -6.069134457e-01 -6.069134457e-01 4.18 -5.783879632e-01 -5.783879632e-01 4.20 -5.512870284e-01 -5.512870284e-01 4.22 -5.255383415e-01 -5.255383415e-01 4.24 -5.010734807e-01 -5.010734807e-01 4.26 -4.778278830e-01 -4.778278830e-01 4.28 -4.557406601e-01 -4.557406601e-01 4.30 -4.347542424e-01 -4.347542424e-01 4.32 -4.148138433e-01 -4.148138433e-01 4.34 -3.958667700e-01 -3.958667700e-01 4.36 -3.778616398e-01 -3.778616398e-01 4.38 -3.607476029e-01 -3.607476029e-01 4.40 -3.444736762e-01 -3.444736762e-01 4.42 -3.289882906e-01 -3.289882906e-01 4.44 -3.142391116e-01 -3.142391116e-01 4.46 -3.001731542e-01 -3.001731542e-01 4.48 -2.867371672e-01 -2.867371672e-01 4.50 -2.738782277e-01 -2.738782277e-01 4.52 -2.615444736e-01 -2.615444736e-01 4.54 -2.496858973e-01 -2.496858973e-01 4.56 -2.382551344e-01 -2.382551344e-01 4.58 -2.272081987e-01 -2.272081987e-01 4.60 -2.165051269e-01 -2.165051269e-01 4.62 -2.061105103e-01 -2.061105103e-01 4.64 -1.959938981e-01 -1.959938981e-01 4.66 -1.861300621e-01 -1.861300621e-01 4.68 -1.764991121e-01 -1.764991121e-01 4.70 -1.670864569e-01 -1.670864569e-01 4.72 -1.578826097e-01 -1.578826097e-01 4.74 -1.488828464e-01 -1.488828464e-01 4.76 -1.400867353e-01 -1.400867353e-01 4.78 -1.314975715e-01 -1.314975715e-01 4.80 -1.231217557e-01 -1.231217557e-01 4.82 -1.149681715e-01 -1.149681715e-01 4.84 -1.070475827e-01 -1.070475827e-01 4.86 -9.937210510e-02 -9.937210510e-02 4.88 -9.195474664e-02 -9.195474664e-02 4.90 -8.480900963e-02 -8.480900963e-02 4.92 -7.794852876e-02 -7.794852876e-02 4.94 -7.138652958e-02 -7.138652958e-02 4.96 -6.513556987e-02 -6.513556987e-02 4.98 -5.920763262e-02 -5.920763262e-02 5.00 -5.361303193e-02 -5.361303193e-02 5.02 -4.835990726e-02 -4.835990726e-02 5.04 -4.345374327e-02 -4.345374327e-02 5.06 -3.889695228e-02 -3.889695228e-02 5.08 -3.468857917e-02 -3.468857917e-02 5.10 -3.082415480e-02 -3.082415480e-02 5.12 -2.729573722e-02 -2.729573722e-02 5.14 -2.409211582e-02 -2.409211582e-02 5.16 -2.119917213e-02 -2.119917213e-02 5.18 -1.860036921e-02 -1.860036921e-02 5.20 -1.627729385e-02 -1.627729385e-02 5.22 -1.421000527e-02 -1.421000527e-02 5.24 -1.237828823e-02 -1.237828823e-02 5.26 -1.076182939e-02 -1.076182939e-02 5.28 -9.340538477e-03 -9.340538477e-03 5.30 -8.094952982e-03 -8.094952982e-03 5.32 -7.006546708e-03 -7.006546708e-03 5.34 -6.057947430e-03 -6.057947430e-03 5.36 -5.233073758e-03 -5.233073758e-03 5.38 -4.517203798e-03 -4.517203798e-03 5.40 -3.896989007e-03 -3.896989007e-03 5.42 -3.360426092e-03 -3.360426092e-03 5.44 -2.896798573e-03 -2.896798573e-03 5.46 -2.496597911e-03 -2.496597911e-03 5.48 -2.151432303e-03 -2.151432303e-03 5.50 -1.853929527e-03 -1.853929527e-03 5.52 -1.597638605e-03 -1.597638605e-03 5.54 -1.376933761e-03 -1.376933761e-03 5.56 -1.186923012e-03 -1.186923012e-03 5.58 -1.023362886e-03 -1.023362886e-03 5.60 -8.825800824e-04 -8.825800824e-04 5.62 -7.614003898e-04 -7.614003898e-04 5.64 -6.570848562e-04 -6.570848562e-04 5.66 -5.672729270e-04 -5.672729270e-04 5.68 -4.899321467e-04 -4.899321467e-04 5.70 -4.233139156e-04 -4.233139156e-04 5.72 -3.659147585e-04 -3.659147585e-04 5.74 -3.164425542e-04 -3.164425542e-04 5.76 -2.737871866e-04 -2.737871866e-04 5.78 -2.369951108e-04 -2.369951108e-04 5.80 -2.052473633e-04 -2.052473633e-04 5.82 -1.778405859e-04 -1.778405859e-04 5.84 -1.541706767e-04 -1.541706767e-04 5.86 -1.337187239e-04 -1.337187239e-04 5.88 -1.160389146e-04 -1.160389146e-04 5.90 -1.007481522e-04 -1.007481522e-04 5.92 -8.751714596e-05 -8.751714596e-05 5.94 -7.606276777e-05 -7.606276777e-05 5.96 -6.614149862e-05 -6.614149862e-05 5.98 -5.754381105e-05 -5.754381105e-05 6.00 -5.008935432e-05 -5.008935432e-05