# 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 = AlAu2Pb # 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 3.160523495e+02 3.160523495e+02 1.30 2.947386193e+02 2.947386193e+02 1.32 2.749148140e+02 2.749148140e+02 1.34 2.564647110e+02 2.564647110e+02 1.36 2.392817587e+02 2.392817587e+02 1.38 2.232669872e+02 2.232669872e+02 1.40 2.083291719e+02 2.083291719e+02 1.42 1.943858848e+02 1.943858848e+02 1.44 1.813642911e+02 1.813642911e+02 1.46 1.692007162e+02 1.692007162e+02 1.48 1.578383879e+02 1.578383879e+02 1.50 1.472242623e+02 1.472242623e+02 1.52 1.373068507e+02 1.373068507e+02 1.54 1.280359198e+02 1.280359198e+02 1.56 1.193633457e+02 1.193633457e+02 1.58 1.112440221e+02 1.112440221e+02 1.60 1.036364453e+02 1.036364453e+02 1.62 9.650303402e+01 9.650303402e+01 1.64 8.981024261e+01 8.981024261e+01 1.66 8.352835338e+01 8.352835338e+01 1.68 7.763083971e+01 7.763083971e+01 1.70 7.209341779e+01 7.209341779e+01 1.72 6.690684886e+01 6.690684886e+01 1.74 6.206143212e+01 6.206143212e+01 1.76 5.753625953e+01 5.753625953e+01 1.78 5.331386604e+01 5.331386604e+01 1.80 4.937401125e+01 4.937401125e+01 1.82 4.569652258e+01 4.569652258e+01 1.84 4.226268577e+01 4.226268577e+01 1.86 3.905528289e+01 3.905528289e+01 1.88 3.605866530e+01 3.605866530e+01 1.90 3.325878496e+01 3.325878496e+01 1.92 3.064313197e+01 3.064313197e+01 1.94 2.820052911e+01 2.820052911e+01 1.96 2.592082554e+01 2.592082554e+01 1.98 2.379454776e+01 2.379454776e+01 2.00 2.181260946e+01 2.181260946e+01 2.02 1.996614631e+01 1.996614631e+01 2.04 1.824648029e+01 1.824648029e+01 2.06 1.664517813e+01 1.664517813e+01 2.08 1.515415010e+01 1.515415010e+01 2.10 1.376574618e+01 1.376574618e+01 2.12 1.247281689e+01 1.247281689e+01 2.14 1.126873781e+01 1.126873781e+01 2.16 1.014739813e+01 1.014739813e+01 2.18 9.103168301e+00 9.103168301e+00 2.20 8.130857042e+00 8.130857042e+00 2.22 7.225672066e+00 7.225672066e+00 2.24 6.383185548e+00 6.383185548e+00 2.26 5.599305400e+00 5.599305400e+00 2.28 4.870248116e+00 4.870248116e+00 2.30 4.192515142e+00 4.192515142e+00 2.32 3.562867772e+00 3.562867772e+00 2.34 2.978303075e+00 2.978303075e+00 2.36 2.436032838e+00 2.436032838e+00 2.38 1.933463364e+00 1.933463364e+00 2.40 1.468177174e+00 1.468177174e+00 2.42 1.037916381e+00 1.037916381e+00 2.44 6.405664377e-01 6.405664377e-01 2.46 2.741412368e-01 2.741412368e-01 2.48 -6.323166493e-02 -6.323166493e-02 2.50 -3.733254290e-01 -3.733254290e-01 2.52 -6.578281831e-01 -6.578281831e-01 2.54 -9.183571436e-01 -9.183571436e-01 2.56 -1.156472041e+00 -1.156472041e+00 2.58 -1.373686142e+00 -1.373686142e+00 2.60 -1.571471903e+00 -1.571471903e+00 2.62 -1.751257867e+00 -1.751257867e+00 2.64 -1.914416943e+00 -1.914416943e+00 2.66 -2.062245433e+00 -2.062245433e+00 2.68 -2.195943512e+00 -2.195943512e+00 2.70 -2.316600336e+00 -2.316600336e+00 2.72 -2.425193053e+00 -2.425193053e+00 2.74 -2.522712290e+00 -2.522712290e+00 2.76 -2.609874421e+00 -2.609874421e+00 2.78 -2.687340635e+00 -2.687340635e+00 2.80 -2.756263709e+00 -2.756263709e+00 2.82 -2.817001395e+00 -2.817001395e+00 2.84 -2.869771074e+00 -2.869771074e+00 2.86 -2.914814289e+00 -2.914814289e+00 2.88 -2.952390432e+00 -2.952390432e+00 2.90 -2.982772627e+00 -2.982772627e+00 2.92 -3.006240361e+00 -3.006240361e+00 2.94 -3.023080484e+00 -3.023080484e+00 2.96 -3.033607959e+00 -3.033607959e+00 2.98 -3.038173615e+00 -3.038173615e+00 3.00 -3.037156165e+00 -3.037156165e+00 3.02 -3.030965161e+00 -3.030965161e+00 3.04 -3.020040286e+00 -3.020040286e+00 3.06 -3.004847246e+00 -3.004847246e+00 3.08 -2.985862818e+00 -2.985862818e+00 3.10 -2.963560584e+00 -2.963560584e+00 3.12 -2.938392145e+00 -2.938392145e+00 3.14 -2.910773885e+00 -2.910773885e+00 3.16 -2.881072885e+00 -2.881072885e+00 3.18 -2.849604923e+00 -2.849604923e+00 3.20 -2.816634690e+00 -2.816634690e+00 3.22 -2.782380423e+00 -2.782380423e+00 3.24 -2.747020473e+00 -2.747020473e+00 3.26 -2.710703074e+00 -2.710703074e+00 3.28 -2.673577064e+00 -2.673577064e+00 3.30 -2.635725516e+00 -2.635725516e+00 3.32 -2.597207556e+00 -2.597207556e+00 3.34 -2.558077893e+00 -2.558077893e+00 3.36 -2.518389643e+00 -2.518389643e+00 3.38 -2.478196426e+00 -2.478196426e+00 3.40 -2.437553643e+00 -2.437553643e+00 3.42 -2.396519708e+00 -2.396519708e+00 3.44 -2.355155132e+00 -2.355155132e+00 3.46 -2.313518515e+00 -2.313518515e+00 3.48 -2.271665295e+00 -2.271665295e+00 3.50 -2.229653178e+00 -2.229653178e+00 3.52 -2.187541136e+00 -2.187541136e+00 3.54 -2.145388146e+00 -2.145388146e+00 3.56 -2.103252089e+00 -2.103252089e+00 3.58 -2.061188856e+00 -2.061188856e+00 3.60 -2.019251692e+00 -2.019251692e+00 3.62 -1.977490781e+00 -1.977490781e+00 3.64 -1.935953020e+00 -1.935953020e+00 3.66 -1.894681944e+00 -1.894681944e+00 3.68 -1.853717705e+00 -1.853717705e+00 3.70 -1.813097041e+00 -1.813097041e+00 3.72 -1.772853163e+00 -1.772853163e+00 3.74 -1.733015535e+00 -1.733015535e+00 3.76 -1.693609560e+00 -1.693609560e+00 3.78 -1.654656224e+00 -1.654656224e+00 3.80 -1.616171796e+00 -1.616171796e+00 3.82 -1.578167666e+00 -1.578167666e+00 3.84 -1.540650405e+00 -1.540650405e+00 3.86 -1.503622058e+00 -1.503622058e+00 3.88 -1.467080662e+00 -1.467080662e+00 3.90 -1.431020902e+00 -1.431020902e+00 3.92 -1.395434475e+00 -1.395434475e+00 3.94 -1.360312281e+00 -1.360312281e+00 3.96 -1.325642656e+00 -1.325642656e+00 3.98 -1.291413515e+00 -1.291413515e+00 4.00 -1.257612265e+00 -1.257612265e+00 4.02 -1.224226086e+00 -1.224226086e+00 4.04 -1.191242181e+00 -1.191242181e+00 4.06 -1.158648076e+00 -1.158648076e+00 4.08 -1.126432044e+00 -1.126432044e+00 4.10 -1.094582691e+00 -1.094582691e+00 4.12 -1.063093922e+00 -1.063093922e+00 4.14 -1.031959394e+00 -1.031959394e+00 4.16 -1.001178291e+00 -1.001178291e+00 4.18 -9.707553647e-01 -9.707553647e-01 4.20 -9.407021495e-01 -9.407021495e-01 4.22 -9.110379571e-01 -9.110379571e-01 4.24 -8.817904533e-01 -8.817904533e-01 4.26 -8.529956257e-01 -8.529956257e-01 4.28 -8.246969894e-01 -8.246969894e-01 4.30 -7.969439581e-01 -7.969439581e-01 4.32 -7.697894265e-01 -7.697894265e-01 4.34 -7.432867329e-01 -7.432867329e-01 4.36 -7.174862937e-01 -7.174862937e-01 4.38 -6.924322677e-01 -6.924322677e-01 4.40 -6.681596239e-01 -6.681596239e-01 4.42 -6.446919247e-01 -6.446919247e-01 4.44 -6.220400209e-01 -6.220400209e-01 4.46 -6.002017198e-01 -6.002017198e-01 4.48 -5.791623460e-01 -5.791623460e-01 4.50 -5.588960195e-01 -5.588960195e-01 4.52 -5.393674158e-01 -5.393674158e-01 4.54 -5.205337711e-01 -5.205337711e-01 4.56 -5.023469218e-01 -5.023469218e-01 4.58 -4.847552255e-01 -4.847552255e-01 4.60 -4.677052683e-01 -4.677052683e-01 4.62 -4.511433185e-01 -4.511433185e-01 4.64 -4.350165317e-01 -4.350165317e-01 4.66 -4.192739427e-01 -4.192739427e-01 4.68 -4.038672945e-01 -4.038672945e-01 4.70 -3.887517608e-01 -3.887517608e-01 4.72 -3.738866136e-01 -3.738866136e-01 4.74 -3.592358778e-01 -3.592358778e-01 4.76 -3.447689969e-01 -3.447689969e-01 4.78 -3.304615183e-01 -3.304615183e-01 4.80 -3.162950175e-01 -3.162950175e-01 4.82 -3.022609286e-01 -3.022609286e-01 4.84 -2.883561445e-01 -2.883561445e-01 4.86 -2.745868723e-01 -2.745868723e-01 4.88 -2.609678720e-01 -2.609678720e-01 4.90 -2.475222665e-01 -2.475222665e-01 4.92 -2.342809464e-01 -2.342809464e-01 4.94 -2.212815259e-01 -2.212815259e-01 4.96 -2.085668531e-01 -2.085668531e-01 4.98 -1.961831244e-01 -1.961831244e-01 5.00 -1.841777100e-01 -1.841777100e-01 5.02 -1.725968409e-01 -1.725968409e-01 5.04 -1.614833351e-01 -1.614833351e-01 5.06 -1.508745457e-01 -1.508745457e-01 5.08 -1.408007021e-01 -1.408007021e-01 5.10 -1.312837554e-01 -1.312837554e-01 5.12 -1.223367889e-01 -1.223367889e-01 5.14 -1.139639859e-01 -1.139639859e-01 5.16 -1.061611063e-01 -1.061611063e-01 5.18 -9.891636792e-02 -9.891636792e-02 5.20 -9.221157095e-02 -9.221157095e-02 5.22 -8.602286836e-02 -8.602286836e-02 5.24 -8.032342307e-02 -8.032342307e-02 5.26 -7.508407132e-02 -7.508407132e-02 5.28 -7.027408589e-02 -7.027408589e-02 5.30 -6.586218806e-02 -6.586218806e-02 5.32 -6.181734749e-02 -6.181734749e-02 5.34 -5.810938136e-02 -5.810938136e-02 5.36 -5.470929532e-02 -5.470929532e-02 5.38 -5.158959270e-02 -5.158959270e-02 5.40 -4.872471585e-02 -4.872471585e-02 5.42 -4.609082974e-02 -4.609082974e-02 5.44 -4.366582741e-02 -4.366582741e-02 5.46 -4.142930364e-02 -4.142930364e-02 5.48 -3.936249921e-02 -3.936249921e-02 5.50 -3.744822719e-02 -3.744822719e-02 5.52 -3.567078903e-02 -3.567078903e-02 5.54 -3.401588535e-02 -3.401588535e-02 5.56 -3.247052476e-02 -3.247052476e-02 5.58 -3.102293269e-02 -3.102293269e-02 5.60 -2.966246155e-02 -2.966246155e-02 5.62 -2.837950362e-02 -2.837950362e-02 5.64 -2.716540739e-02 -2.716540739e-02 5.66 -2.601239814e-02 -2.601239814e-02 5.68 -2.491350399e-02 -2.491350399e-02 5.70 -2.386248778e-02 -2.386248778e-02 5.72 -2.285378553e-02 -2.285378553e-02 5.74 -2.188245164e-02 -2.188245164e-02 5.76 -2.094411133e-02 -2.094411133e-02 5.78 -2.003491999e-02 -2.003491999e-02 5.80 -1.915152953e-02 -1.915152953e-02 5.82 -1.829106093e-02 -1.829106093e-02 5.84 -1.745108250e-02 -1.745108250e-02 5.86 -1.662959267e-02 -1.662959267e-02 5.88 -1.582500622e-02 -1.582500622e-02 5.90 -1.503614233e-02 -1.503614233e-02 5.92 -1.426221298e-02 -1.426221298e-02 5.94 -1.350280363e-02 -1.350280363e-02 5.96 -1.275778451e-02 -1.275778451e-02 5.98 -1.202744432e-02 -1.202744432e-02 6.00 -1.131241683e-02 -1.131241683e-02