# 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 = AuPbPd2 # 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 3.821118504e+02 3.821118504e+02 1.30 3.556708782e+02 3.556708782e+02 1.32 3.311024417e+02 3.311024417e+02 1.34 3.082576226e+02 3.082576226e+02 1.36 2.870006458e+02 2.870006458e+02 1.38 2.672090474e+02 2.672090474e+02 1.40 2.487731502e+02 2.487731502e+02 1.42 2.315939930e+02 2.315939930e+02 1.44 2.155806484e+02 2.155806484e+02 1.46 2.006485077e+02 2.006485077e+02 1.48 1.867187174e+02 1.867187174e+02 1.50 1.737178926e+02 1.737178926e+02 1.52 1.615777013e+02 1.615777013e+02 1.54 1.502346328e+02 1.502346328e+02 1.56 1.396300807e+02 1.396300807e+02 1.58 1.297104866e+02 1.297104866e+02 1.60 1.204272032e+02 1.204272032e+02 1.62 1.117359515e+02 1.117359515e+02 1.64 1.035960697e+02 1.035960697e+02 1.66 9.596992813e+01 9.596992813e+01 1.68 8.882263602e+01 8.882263602e+01 1.70 8.212190665e+01 8.212190665e+01 1.72 7.584595802e+01 7.584595802e+01 1.74 6.999515031e+01 6.999515031e+01 1.76 6.455886579e+01 6.455886579e+01 1.78 5.950682166e+01 5.950682166e+01 1.80 5.481117510e+01 5.481117510e+01 1.82 5.044639762e+01 5.044639762e+01 1.84 4.638913003e+01 4.638913003e+01 1.86 4.261800928e+01 4.261800928e+01 1.88 3.911347562e+01 3.911347562e+01 1.90 3.585753856e+01 3.585753856e+01 1.92 3.283352827e+01 3.283352827e+01 1.94 3.002587320e+01 3.002587320e+01 1.96 2.741993790e+01 2.741993790e+01 1.98 2.500192470e+01 2.500192470e+01 2.00 2.275882549e+01 2.275882549e+01 2.02 2.067840021e+01 2.067840021e+01 2.04 1.874916169e+01 1.874916169e+01 2.06 1.696036170e+01 1.696036170e+01 2.08 1.530197865e+01 1.530197865e+01 2.10 1.376470274e+01 1.376470274e+01 2.12 1.233991941e+01 1.233991941e+01 2.14 1.101968330e+01 1.101968330e+01 2.16 9.796680099e+00 9.796680099e+00 2.18 8.664178742e+00 8.664178742e+00 2.20 7.615976728e+00 7.615976728e+00 2.22 6.646349843e+00 6.646349843e+00 2.24 5.750007294e+00 5.750007294e+00 2.26 4.922053353e+00 4.922053353e+00 2.28 4.157952898e+00 4.157952898e+00 2.30 3.453495775e+00 3.453495775e+00 2.32 2.804760077e+00 2.804760077e+00 2.34 2.208077254e+00 2.208077254e+00 2.36 1.659997213e+00 1.659997213e+00 2.38 1.157261801e+00 1.157261801e+00 2.40 6.967875525e-01 6.967875525e-01 2.42 2.756582988e-01 2.756582988e-01 2.44 -1.088765985e-01 -1.088765985e-01 2.46 -4.594031689e-01 -4.594031689e-01 2.48 -7.783481226e-01 -7.783481226e-01 2.50 -1.067988874e+00 -1.067988874e+00 2.52 -1.330465362e+00 -1.330465362e+00 2.54 -1.567789659e+00 -1.567789659e+00 2.56 -1.781851260e+00 -1.781851260e+00 2.58 -1.974418614e+00 -1.974418614e+00 2.60 -2.147138806e+00 -2.147138806e+00 2.62 -2.301536481e+00 -2.301536481e+00 2.64 -2.439015851e+00 -2.439015851e+00 2.66 -2.560858914e+00 -2.560858914e+00 2.68 -2.668231604e+00 -2.668231604e+00 2.70 -2.762375417e+00 -2.762375417e+00 2.72 -2.844848649e+00 -2.844848649e+00 2.74 -2.916202408e+00 -2.916202408e+00 2.76 -2.976892555e+00 -2.976892555e+00 2.78 -3.027389341e+00 -3.027389341e+00 2.80 -3.068176651e+00 -3.068176651e+00 2.82 -3.099751270e+00 -3.099751270e+00 2.84 -3.122625220e+00 -3.122625220e+00 2.86 -3.137329017e+00 -3.137329017e+00 2.88 -3.144453533e+00 -3.144453533e+00 2.90 -3.144653981e+00 -3.144653981e+00 2.92 -3.138582622e+00 -3.138582622e+00 2.94 -3.126877126e+00 -3.126877126e+00 2.96 -3.110149937e+00 -3.110149937e+00 2.98 -3.088976940e+00 -3.088976940e+00 3.00 -3.063888411e+00 -3.063888411e+00 3.02 -3.035364288e+00 -3.035364288e+00 3.04 -3.003833661e+00 -3.003833661e+00 3.06 -2.969680561e+00 -2.969680561e+00 3.08 -2.933245870e+00 -2.933245870e+00 3.10 -2.894835286e+00 -2.894835286e+00 3.12 -2.854722706e+00 -2.854722706e+00 3.14 -2.813156894e+00 -2.813156894e+00 3.16 -2.770376198e+00 -2.770376198e+00 3.18 -2.726598600e+00 -2.726598600e+00 3.20 -2.681970825e+00 -2.681970825e+00 3.22 -2.636626600e+00 -2.636626600e+00 3.24 -2.590688344e+00 -2.590688344e+00 3.26 -2.544267058e+00 -2.544267058e+00 3.28 -2.497462759e+00 -2.497462759e+00 3.30 -2.450365576e+00 -2.450365576e+00 3.32 -2.403057068e+00 -2.403057068e+00 3.34 -2.355606599e+00 -2.355606599e+00 3.36 -2.308073953e+00 -2.308073953e+00 3.38 -2.260518179e+00 -2.260518179e+00 3.40 -2.212998285e+00 -2.212998285e+00 3.42 -2.165573897e+00 -2.165573897e+00 3.44 -2.118303879e+00 -2.118303879e+00 3.46 -2.071246287e+00 -2.071246287e+00 3.48 -2.024457301e+00 -2.024457301e+00 3.50 -1.977990314e+00 -1.977990314e+00 3.52 -1.931895110e+00 -1.931895110e+00 3.54 -1.886217211e+00 -1.886217211e+00 3.56 -1.840997436e+00 -1.840997436e+00 3.58 -1.796271689e+00 -1.796271689e+00 3.60 -1.752070960e+00 -1.752070960e+00 3.62 -1.708421530e+00 -1.708421530e+00 3.64 -1.665345315e+00 -1.665345315e+00 3.66 -1.622860299e+00 -1.622860299e+00 3.68 -1.580980985e+00 -1.580980985e+00 3.70 -1.539718786e+00 -1.539718786e+00 3.72 -1.499082317e+00 -1.499082317e+00 3.74 -1.459077547e+00 -1.459077547e+00 3.76 -1.419707834e+00 -1.419707834e+00 3.78 -1.380973901e+00 -1.380973901e+00 3.80 -1.342873826e+00 -1.342873826e+00 3.82 -1.305403142e+00 -1.305403142e+00 3.84 -1.268555096e+00 -1.268555096e+00 3.86 -1.232321111e+00 -1.232321111e+00 3.88 -1.196691419e+00 -1.196691419e+00 3.90 -1.161655833e+00 -1.161655833e+00 3.92 -1.127204248e+00 -1.127204248e+00 3.94 -1.093328974e+00 -1.093328974e+00 3.96 -1.060023290e+00 -1.060023290e+00 3.98 -1.027283851e+00 -1.027283851e+00 4.00 -9.951109629e-01 -9.951109629e-01 4.02 -9.635091163e-01 -9.635091163e-01 4.04 -9.324873188e-01 -9.324873188e-01 4.06 -9.020591214e-01 -9.020591214e-01 4.08 -8.722422778e-01 -8.722422778e-01 4.10 -8.430570205e-01 -8.430570205e-01 4.12 -8.145289312e-01 -8.145289312e-01 4.14 -7.866810726e-01 -7.866810726e-01 4.16 -7.595367461e-01 -7.595367461e-01 4.18 -7.331165921e-01 -7.331165921e-01 4.20 -7.074370682e-01 -7.074370682e-01 4.22 -6.825092915e-01 -6.825092915e-01 4.24 -6.583383442e-01 -6.583383442e-01 4.26 -6.349230541e-01 -6.349230541e-01 4.28 -6.122561802e-01 -6.122561802e-01 4.30 -5.903248761e-01 -5.903248761e-01 4.32 -5.691112963e-01 -5.691112963e-01 4.34 -5.485932258e-01 -5.485932258e-01 4.36 -5.287446641e-01 -5.287446641e-01 4.38 -5.095363431e-01 -5.095363431e-01 4.40 -4.909362026e-01 -4.909362026e-01 4.42 -4.729098671e-01 -4.729098671e-01 4.44 -4.554211732e-01 -4.554211732e-01 4.46 -4.384327818e-01 -4.384327818e-01 4.48 -4.219068915e-01 -4.219068915e-01 4.50 -4.058060493e-01 -4.058060493e-01 4.52 -3.900940391e-01 -3.900940391e-01 4.54 -3.747368209e-01 -3.747368209e-01 4.56 -3.597034885e-01 -3.597034885e-01 4.58 -3.449672095e-01 -3.449672095e-01 4.60 -3.305061097e-01 -3.305061097e-01 4.62 -3.163040548e-01 -3.163040548e-01 4.64 -3.023512787e-01 -3.023512787e-01 4.66 -2.886447980e-01 -2.886447980e-01 4.68 -2.751885513e-01 -2.751885513e-01 4.70 -2.619932083e-01 -2.619932083e-01 4.72 -2.490756098e-01 -2.490756098e-01 4.74 -2.364578288e-01 -2.364578288e-01 4.76 -2.241658839e-01 -2.241658839e-01 4.78 -2.122281777e-01 -2.122281777e-01 4.80 -2.006730005e-01 -2.006730005e-01 4.82 -1.895300091e-01 -1.895300091e-01 4.84 -1.788235859e-01 -1.788235859e-01 4.86 -1.685750017e-01 -1.685750017e-01 4.88 -1.588005176e-01 -1.588005176e-01 4.90 -1.495108123e-01 -1.495108123e-01 4.92 -1.407108275e-01 -1.407108275e-01 4.94 -1.323999654e-01 -1.323999654e-01 4.96 -1.245725555e-01 -1.245725555e-01 4.98 -1.172184915e-01 -1.172184915e-01 5.00 -1.103239584e-01 -1.103239584e-01 5.02 -1.038721690e-01 -1.038721690e-01 5.04 -9.784366051e-02 -9.784366051e-02 5.06 -9.221747222e-02 -9.221747222e-02 5.08 -8.697232488e-02 -8.697232488e-02 5.10 -8.208607252e-02 -8.208607252e-02 5.12 -7.753621146e-02 -7.753621146e-02 5.14 -7.330031717e-02 -7.330031717e-02 5.16 -6.935640701e-02 -6.935640701e-02 5.18 -6.568323750e-02 -6.568323750e-02 5.20 -6.226054074e-02 -6.226054074e-02 5.22 -5.906919994e-02 -5.906919994e-02 5.24 -5.609136418e-02 -5.609136418e-02 5.26 -5.331050422e-02 -5.331050422e-02 5.28 -5.071141347e-02 -5.071141347e-02 5.30 -4.828011518e-02 -4.828011518e-02 5.32 -4.600378091e-02 -4.600378091e-02 5.34 -4.387081972e-02 -4.387081972e-02 5.36 -4.187059074e-02 -4.187059074e-02 5.38 -3.999327332e-02 -3.999327332e-02 5.40 -3.822975339e-02 -3.822975339e-02 5.42 -3.657152334e-02 -3.657152334e-02 5.44 -3.501060116e-02 -3.501060116e-02 5.46 -3.353946795e-02 -3.353946795e-02 5.48 -3.215102320e-02 -3.215102320e-02 5.50 -3.083855515e-02 -3.083855515e-02 5.52 -2.959572284e-02 -2.959572284e-02 5.54 -2.841654584e-02 -2.841654584e-02 5.56 -2.729539867e-02 -2.729539867e-02 5.58 -2.622700692e-02 -2.622700692e-02 5.60 -2.520644325e-02 -2.520644325e-02 5.62 -2.422912189e-02 -2.422912189e-02 5.64 -2.329079262e-02 -2.329079262e-02 5.66 -2.238753195e-02 -2.238753195e-02 5.68 -2.151573319e-02 -2.151573319e-02 5.70 -2.067209623e-02 -2.067209623e-02 5.72 -1.985361764e-02 -1.985361764e-02 5.74 -1.905758161e-02 -1.905758161e-02 5.76 -1.828155246e-02 -1.828155246e-02 5.78 -1.752336912e-02 -1.752336912e-02 5.80 -1.678114172e-02 -1.678114172e-02 5.82 -1.605325048e-02 -1.605325048e-02 5.84 -1.533834642e-02 -1.533834642e-02 5.86 -1.463535355e-02 -1.463535355e-02 5.88 -1.394347168e-02 -1.394347168e-02 5.90 -1.326217886e-02 -1.326217886e-02 5.92 -1.259123221e-02 -1.259123221e-02 5.94 -1.193065978e-02 -1.193065978e-02 5.96 -1.128072479e-02 -1.128072479e-02 5.98 -1.064199213e-02 -1.064199213e-02 6.00 -1.001527580e-02 -1.001527580e-02