# 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 = AgCuPd2 # 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 2.365059683e+02 2.365059683e+02 1.30 2.187443980e+02 2.187443980e+02 1.32 2.023033540e+02 2.023033540e+02 1.34 1.870805082e+02 1.870805082e+02 1.36 1.729804661e+02 1.729804661e+02 1.38 1.599133980e+02 1.599133980e+02 1.40 1.477952296e+02 1.477952296e+02 1.42 1.365484817e+02 1.365484817e+02 1.44 1.261032097e+02 1.261032097e+02 1.46 1.163975305e+02 1.163975305e+02 1.48 1.073770418e+02 1.073770418e+02 1.50 9.899303633e+01 9.899303633e+01 1.52 9.120032507e+01 9.120032507e+01 1.54 8.395571203e+01 8.395571203e+01 1.56 7.721754844e+01 7.721754844e+01 1.58 7.094609167e+01 7.094609167e+01 1.60 6.510422473e+01 6.510422473e+01 1.62 5.966119664e+01 5.966119664e+01 1.64 5.461648645e+01 5.461648645e+01 1.66 4.994897087e+01 4.994897087e+01 1.68 4.563166149e+01 4.563166149e+01 1.70 4.164006911e+01 4.164006911e+01 1.72 3.795137752e+01 3.795137752e+01 1.74 3.454395355e+01 3.454395355e+01 1.76 3.139725003e+01 3.139725003e+01 1.78 2.849192177e+01 2.849192177e+01 1.80 2.580994511e+01 2.580994511e+01 1.82 2.333463954e+01 2.333463954e+01 1.84 2.105058516e+01 2.105058516e+01 1.86 1.894346669e+01 1.894346669e+01 1.88 1.699990165e+01 1.699990165e+01 1.90 1.520733295e+01 1.520733295e+01 1.92 1.355403666e+01 1.355403666e+01 1.94 1.202921659e+01 1.202921659e+01 1.96 1.062309333e+01 1.062309333e+01 1.98 9.326903627e+00 9.326903627e+00 2.00 8.132789071e+00 8.132789071e+00 2.02 7.033616909e+00 7.033616909e+00 2.04 6.022798560e+00 6.022798560e+00 2.06 5.094154517e+00 5.094154517e+00 2.08 4.241841106e+00 4.241841106e+00 2.10 3.460328540e+00 3.460328540e+00 2.12 2.744408678e+00 2.744408678e+00 2.14 2.089211443e+00 2.089211443e+00 2.16 1.490215629e+00 1.490215629e+00 2.18 9.432483676e-01 9.432483676e-01 2.20 4.444740895e-01 4.444740895e-01 2.22 -9.623773455e-03 -9.623773455e-03 2.24 -4.222662726e-01 -4.222662726e-01 2.26 -7.964077474e-01 -7.964077474e-01 2.28 -1.134770651e+00 -1.134770651e+00 2.30 -1.439884723e+00 -1.439884723e+00 2.32 -1.714125093e+00 -1.714125093e+00 2.34 -1.959742162e+00 -1.959742162e+00 2.36 -2.178879011e+00 -2.178879011e+00 2.38 -2.373577786e+00 -2.373577786e+00 2.40 -2.545780948e+00 -2.545780948e+00 2.42 -2.697333323e+00 -2.697333323e+00 2.44 -2.829987370e+00 -2.829987370e+00 2.46 -2.945409503e+00 -2.945409503e+00 2.48 -3.045182220e+00 -3.045182220e+00 2.50 -3.130797133e+00 -3.130797133e+00 2.52 -3.203638397e+00 -3.203638397e+00 2.54 -3.265372802e+00 -3.265372802e+00 2.56 -3.317453925e+00 -3.317453925e+00 2.58 -3.360484098e+00 -3.360484098e+00 2.60 -3.395228826e+00 -3.395228826e+00 2.62 -3.422057886e+00 -3.422057886e+00 2.64 -3.441211550e+00 -3.441211550e+00 2.66 -3.452974927e+00 -3.452974927e+00 2.68 -3.457669488e+00 -3.457669488e+00 2.70 -3.455671811e+00 -3.455671811e+00 2.72 -3.447446191e+00 -3.447446191e+00 2.74 -3.433452230e+00 -3.433452230e+00 2.76 -3.414148388e+00 -3.414148388e+00 2.78 -3.390062411e+00 -3.390062411e+00 2.80 -3.361556397e+00 -3.361556397e+00 2.82 -3.328924214e+00 -3.328924214e+00 2.84 -3.292463858e+00 -3.292463858e+00 2.86 -3.252486275e+00 -3.252486275e+00 2.88 -3.209323181e+00 -3.209323181e+00 2.90 -3.163330556e+00 -3.163330556e+00 2.92 -3.114885540e+00 -3.114885540e+00 2.94 -3.064377792e+00 -3.064377792e+00 2.96 -3.012199253e+00 -3.012199253e+00 2.98 -2.958722019e+00 -2.958722019e+00 3.00 -2.904282588e+00 -2.904282588e+00 3.02 -2.849173878e+00 -2.849173878e+00 3.04 -2.793643337e+00 -2.793643337e+00 3.06 -2.737895849e+00 -2.737895849e+00 3.08 -2.682099108e+00 -2.682099108e+00 3.10 -2.626389324e+00 -2.626389324e+00 3.12 -2.570875992e+00 -2.570875992e+00 3.14 -2.515645489e+00 -2.515645489e+00 3.16 -2.460763864e+00 -2.460763864e+00 3.18 -2.406279429e+00 -2.406279429e+00 3.20 -2.352225524e+00 -2.352225524e+00 3.22 -2.298623598e+00 -2.298623598e+00 3.24 -2.245486524e+00 -2.245486524e+00 3.26 -2.192821938e+00 -2.192821938e+00 3.28 -2.140635399e+00 -2.140635399e+00 3.30 -2.088933169e+00 -2.088933169e+00 3.32 -2.037724449e+00 -2.037724449e+00 3.34 -1.987022955e+00 -1.987022955e+00 3.36 -1.936847754e+00 -1.936847754e+00 3.38 -1.887223365e+00 -1.887223365e+00 3.40 -1.838179176e+00 -1.838179176e+00 3.42 -1.789748302e+00 -1.789748302e+00 3.44 -1.741966067e+00 -1.741966067e+00 3.46 -1.694868288e+00 -1.694868288e+00 3.48 -1.648489551e+00 -1.648489551e+00 3.50 -1.602861617e+00 -1.602861617e+00 3.52 -1.558012085e+00 -1.558012085e+00 3.54 -1.513963355e+00 -1.513963355e+00 3.56 -1.470731933e+00 -1.470731933e+00 3.58 -1.428328082e+00 -1.428328082e+00 3.60 -1.386755785e+00 -1.386755785e+00 3.62 -1.346013034e+00 -1.346013034e+00 3.64 -1.306092395e+00 -1.306092395e+00 3.66 -1.266981848e+00 -1.266981848e+00 3.68 -1.228665858e+00 -1.228665858e+00 3.70 -1.191126641e+00 -1.191126641e+00 3.72 -1.154345559e+00 -1.154345559e+00 3.74 -1.118304535e+00 -1.118304535e+00 3.76 -1.082987354e+00 -1.082987354e+00 3.78 -1.048380710e+00 -1.048380710e+00 3.80 -1.014474832e+00 -1.014474832e+00 3.82 -9.812635830e-01 -9.812635830e-01 3.84 -9.487439959e-01 -9.487439959e-01 3.86 -9.169153036e-01 -9.169153036e-01 3.88 -8.857776406e-01 -8.857776406e-01 3.90 -8.553306661e-01 -8.553306661e-01 3.92 -8.255723845e-01 -8.255723845e-01 3.94 -7.964984096e-01 -7.964984096e-01 3.96 -7.681018047e-01 -7.681018047e-01 3.98 -7.403735310e-01 -7.403735310e-01 4.00 -7.133033838e-01 -7.133033838e-01 4.02 -6.868812208e-01 -6.868812208e-01 4.04 -6.610982259e-01 -6.610982259e-01 4.06 -6.359479552e-01 -6.359479552e-01 4.08 -6.114269550e-01 -6.114269550e-01 4.10 -5.875348181e-01 -5.875348181e-01 4.12 -5.642736581e-01 -5.642736581e-01 4.14 -5.416470587e-01 -5.416470587e-01 4.16 -5.196587058e-01 -5.196587058e-01 4.18 -4.983109221e-01 -4.983109221e-01 4.20 -4.776033712e-01 -4.776033712e-01 4.22 -4.575321531e-01 -4.575321531e-01 4.24 -4.380894294e-01 -4.380894294e-01 4.26 -4.192636084e-01 -4.192636084e-01 4.28 -4.010400139e-01 -4.010400139e-01 4.30 -3.834018802e-01 -3.834018802e-01 4.32 -3.663314724e-01 -3.663314724e-01 4.34 -3.498111340e-01 -3.498111340e-01 4.36 -3.338240969e-01 -3.338240969e-01 4.38 -3.183549493e-01 -3.183549493e-01 4.40 -3.033897215e-01 -3.033897215e-01 4.42 -2.889156166e-01 -2.889156166e-01 4.44 -2.749204652e-01 -2.749204652e-01 4.46 -2.613920255e-01 -2.613920255e-01 4.48 -2.483172688e-01 -2.483172688e-01 4.50 -2.356817928e-01 -2.356817928e-01 4.52 -2.234694828e-01 -2.234694828e-01 4.54 -2.116625050e-01 -2.116625050e-01 4.56 -2.002416631e-01 -2.002416631e-01 4.58 -1.891870975e-01 -1.891870975e-01 4.60 -1.784792536e-01 -1.784792536e-01 4.62 -1.681000100e-01 -1.681000100e-01 4.64 -1.580338322e-01 -1.580338322e-01 4.66 -1.482688141e-01 -1.482688141e-01 4.68 -1.387974774e-01 -1.387974774e-01 4.70 -1.296172273e-01 -1.296172273e-01 4.72 -1.207303967e-01 -1.207303967e-01 4.74 -1.121438575e-01 -1.121438575e-01 4.76 -1.038682283e-01 -1.038682283e-01 4.78 -9.591675356e-02 -9.591675356e-02 4.80 -8.830396961e-02 -8.830396961e-02 4.82 -8.104430658e-02 -8.104430658e-02 4.84 -7.415075237e-02 -7.415075237e-02 4.86 -6.763373422e-02 -6.763373422e-02 4.88 -6.150029607e-02 -6.150029607e-02 4.90 -5.575362137e-02 -5.575362137e-02 4.92 -5.039289912e-02 -5.039289912e-02 4.94 -4.541348701e-02 -4.541348701e-02 4.96 -4.080729949e-02 -4.080729949e-02 4.98 -3.656332605e-02 -3.656332605e-02 5.00 -3.266820258e-02 -3.266820258e-02 5.02 -2.910676798e-02 -2.910676798e-02 5.04 -2.586228744e-02 -2.586228744e-02 5.06 -2.291729121e-02 -2.291729121e-02 5.08 -2.025418901e-02 -2.025418901e-02 5.10 -1.785483417e-02 -1.785483417e-02 5.12 -1.570109296e-02 -1.570109296e-02 5.14 -1.377488677e-02 -1.377488677e-02 5.16 -1.205834129e-02 -1.205834129e-02 5.18 -1.053395325e-02 -1.053395325e-02 5.20 -9.184741435e-03 -9.184741435e-03 5.22 -7.994382728e-03 -7.994382728e-03 5.24 -6.947331206e-03 -6.947331206e-03 5.26 -6.028916705e-03 -6.028916705e-03 5.28 -5.225419938e-03 -5.225419938e-03 5.30 -4.524122446e-03 -4.524122446e-03 5.32 -3.913331388e-03 -3.913331388e-03 5.34 -3.382380747e-03 -3.382380747e-03 5.36 -2.921611780e-03 -2.921611780e-03 5.38 -2.522336294e-03 -2.522336294e-03 5.40 -2.176786672e-03 -2.176786672e-03 5.42 -1.878056509e-03 -1.878056509e-03 5.44 -1.620035396e-03 -1.620035396e-03 5.46 -1.397340899e-03 -1.397340899e-03 5.48 -1.205250230e-03 -1.205250230e-03 5.50 -1.039633533e-03 -1.039633533e-03 5.52 -8.968901942e-04 -8.968901942e-04 5.54 -7.738891285e-04 -7.738891285e-04 5.56 -6.679136074e-04 -6.679136074e-04 5.58 -5.766109091e-04 -5.766109091e-04 5.60 -4.979468324e-04 -4.979468324e-04 5.62 -4.301649560e-04 -4.301649560e-04 5.64 -3.717504099e-04 -3.717504099e-04 5.66 -3.213978567e-04 -3.213978567e-04 5.68 -2.779833382e-04 -2.779833382e-04 5.70 -2.405396305e-04 -2.405396305e-04 5.72 -2.082347492e-04 -2.082347492e-04 5.74 -1.803532613e-04 -1.803532613e-04 5.76 -1.562800804e-04 -1.562800804e-04 5.78 -1.354864464e-04 -1.354864464e-04 5.80 -1.175178181e-04 -1.175178181e-04 5.82 -1.019834335e-04 -1.019834335e-04 5.84 -8.854732020e-05 -8.854732020e-05 5.86 -7.692056166e-05 -7.692056166e-05 5.88 -6.685465039e-05 -6.685465039e-05 5.90 -5.813577845e-05 -5.813577845e-05 5.92 -5.057993582e-05 -5.057993582e-05 5.94 -4.402870374e-05 -4.402870374e-05 5.96 -3.834564551e-05 -3.834564551e-05 5.98 -3.341321031e-05 -3.341321031e-05 6.00 -2.913007725e-05 -2.913007725e-05