# 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 = AgCo2Mo # 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 2.081696944e+02 2.081696944e+02 1.30 1.917508152e+02 1.917508152e+02 1.32 1.766175580e+02 1.766175580e+02 1.34 1.626634679e+02 1.626634679e+02 1.36 1.497899300e+02 1.497899300e+02 1.38 1.379060981e+02 1.379060981e+02 1.40 1.269290206e+02 1.269290206e+02 1.42 1.167835415e+02 1.167835415e+02 1.44 1.074016197e+02 1.074016197e+02 1.46 9.872148944e+01 9.872148944e+01 1.48 9.068725294e+01 9.068725294e+01 1.50 8.324874474e+01 8.324874474e+01 1.52 7.636110375e+01 7.636110375e+01 1.54 6.998398011e+01 6.998398011e+01 1.56 6.408072985e+01 6.408072985e+01 1.58 5.861777608e+01 5.861777608e+01 1.60 5.356406766e+01 5.356406766e+01 1.62 4.889058383e+01 4.889058383e+01 1.64 4.456993299e+01 4.456993299e+01 1.66 4.057628279e+01 4.057628279e+01 1.68 3.688726091e+01 3.688726091e+01 1.70 3.348098176e+01 3.348098176e+01 1.72 3.033860249e+01 3.033860249e+01 1.74 2.744002597e+01 2.744002597e+01 1.76 2.476610443e+01 2.476610443e+01 1.78 2.229896862e+01 2.229896862e+01 1.80 2.002213317e+01 2.002213317e+01 1.82 1.792064321e+01 1.792064321e+01 1.84 1.598113023e+01 1.598113023e+01 1.86 1.419172295e+01 1.419172295e+01 1.88 1.254183191e+01 1.254183191e+01 1.90 1.102186268e+01 1.102186268e+01 1.92 9.622930483e+00 9.622930483e+00 1.94 8.336648386e+00 8.336648386e+00 1.96 7.155026736e+00 7.155026736e+00 1.98 6.070466802e+00 6.070466802e+00 2.00 5.075797354e+00 5.075797354e+00 2.02 4.164302853e+00 4.164302853e+00 2.04 3.329711746e+00 3.329711746e+00 2.06 2.566142939e+00 2.566142939e+00 2.08 1.868037187e+00 1.868037187e+00 2.10 1.230109074e+00 1.230109074e+00 2.12 6.473405492e-01 6.473405492e-01 2.14 1.150144210e-01 1.150144210e-01 2.16 -3.712298709e-01 -3.712298709e-01 2.18 -8.153419914e-01 -8.153419914e-01 2.20 -1.220829510e+00 -1.220829510e+00 2.22 -1.590762301e+00 -1.590762301e+00 2.24 -1.927811947e+00 -1.927811947e+00 2.26 -2.234314329e+00 -2.234314329e+00 2.28 -2.512339443e+00 -2.512339443e+00 2.30 -2.763755359e+00 -2.763755359e+00 2.32 -2.990279104e+00 -2.990279104e+00 2.34 -3.193439466e+00 -3.193439466e+00 2.36 -3.374671958e+00 -3.374671958e+00 2.38 -3.535586505e+00 -3.535586505e+00 2.40 -3.677688825e+00 -3.677688825e+00 2.42 -3.802385757e+00 -3.802385757e+00 2.44 -3.910999115e+00 -3.910999115e+00 2.46 -4.004776516e+00 -4.004776516e+00 2.48 -4.084893280e+00 -4.084893280e+00 2.50 -4.152308921e+00 -4.152308921e+00 2.52 -4.207808741e+00 -4.207808741e+00 2.54 -4.252261573e+00 -4.252261573e+00 2.56 -4.286410730e+00 -4.286410730e+00 2.58 -4.310983500e+00 -4.310983500e+00 2.60 -4.326727121e+00 -4.326727121e+00 2.62 -4.334383044e+00 -4.334383044e+00 2.64 -4.334654152e+00 -4.334654152e+00 2.66 -4.328174796e+00 -4.328174796e+00 2.68 -4.315493261e+00 -4.315493261e+00 2.70 -4.297027302e+00 -4.297027302e+00 2.72 -4.273033910e+00 -4.273033910e+00 2.74 -4.243734467e+00 -4.243734467e+00 2.76 -4.209343352e+00 -4.209343352e+00 2.78 -4.170076960e+00 -4.170076960e+00 2.80 -4.126239511e+00 -4.126239511e+00 2.82 -4.078099064e+00 -4.078099064e+00 2.84 -4.025694547e+00 -4.025694547e+00 2.86 -3.969097216e+00 -3.969097216e+00 2.88 -3.908415230e+00 -3.908415230e+00 2.90 -3.843795179e+00 -3.843795179e+00 2.92 -3.775430613e+00 -3.775430613e+00 2.94 -3.703584496e+00 -3.703584496e+00 2.96 -3.628573111e+00 -3.628573111e+00 2.98 -3.550758655e+00 -3.550758655e+00 3.00 -3.470545831e+00 -3.470545831e+00 3.02 -3.388372453e+00 -3.388372453e+00 3.04 -3.304693550e+00 -3.304693550e+00 3.06 -3.219960041e+00 -3.219960041e+00 3.08 -3.134594866e+00 -3.134594866e+00 3.10 -3.048970757e+00 -3.048970757e+00 3.12 -2.963393835e+00 -2.963393835e+00 3.14 -2.878095809e+00 -2.878095809e+00 3.16 -2.793235369e+00 -2.793235369e+00 3.18 -2.708907312e+00 -2.708907312e+00 3.20 -2.625156778e+00 -2.625156778e+00 3.22 -2.541995817e+00 -2.541995817e+00 3.24 -2.459420006e+00 -2.459420006e+00 3.26 -2.377423597e+00 -2.377423597e+00 3.28 -2.296012352e+00 -2.296012352e+00 3.30 -2.215213708e+00 -2.215213708e+00 3.32 -2.135084115e+00 -2.135084115e+00 3.34 -2.055713519e+00 -2.055713519e+00 3.36 -1.977226908e+00 -1.977226908e+00 3.38 -1.899782937e+00 -1.899782937e+00 3.40 -1.823569647e+00 -1.823569647e+00 3.42 -1.748797515e+00 -1.748797515e+00 3.44 -1.675690264e+00 -1.675690264e+00 3.46 -1.604474150e+00 -1.604474150e+00 3.48 -1.535366623e+00 -1.535366623e+00 3.50 -1.468565390e+00 -1.468565390e+00 3.52 -1.404238878e+00 -1.404238878e+00 3.54 -1.342518916e+00 -1.342518916e+00 3.56 -1.283496147e+00 -1.283496147e+00 3.58 -1.227218356e+00 -1.227218356e+00 3.60 -1.173691537e+00 -1.173691537e+00 3.62 -1.122883260e+00 -1.122883260e+00 3.64 -1.074727731e+00 -1.074727731e+00 3.66 -1.029131872e+00 -1.029131872e+00 3.68 -9.859817983e-01 -9.859817983e-01 3.70 -9.451491545e-01 -9.451491545e-01 3.72 -9.064969208e-01 -9.064969208e-01 3.74 -8.698844359e-01 -8.698844359e-01 3.76 -8.351715133e-01 -8.351715133e-01 3.78 -8.022216248e-01 -8.022216248e-01 3.80 -7.709042068e-01 -7.709042068e-01 3.82 -7.410961844e-01 -7.410961844e-01 3.84 -7.126828394e-01 -7.126828394e-01 3.86 -6.855581499e-01 -6.855581499e-01 3.88 -6.596247273e-01 -6.596247273e-01 3.90 -6.347934645e-01 -6.347934645e-01 3.92 -6.109829918e-01 -6.109829918e-01 3.94 -5.881190257e-01 -5.881190257e-01 3.96 -5.661336715e-01 -5.661336715e-01 3.98 -5.449647440e-01 -5.449647440e-01 4.00 -5.245551445e-01 -5.245551445e-01 4.02 -5.048523320e-01 -5.048523320e-01 4.04 -4.858079206e-01 -4.858079206e-01 4.06 -4.673774222e-01 -4.673774222e-01 4.08 -4.495201554e-01 -4.495201554e-01 4.10 -4.321993229e-01 -4.321993229e-01 4.12 -4.153822614e-01 -4.153822614e-01 4.14 -3.990408239e-01 -3.990408239e-01 4.16 -3.831518723e-01 -3.831518723e-01 4.18 -3.676977901e-01 -3.676977901e-01 4.20 -3.526669217e-01 -3.526669217e-01 4.22 -3.380538146e-01 -3.380538146e-01 4.24 -3.238591349e-01 -3.238591349e-01 4.26 -3.100891456e-01 -3.100891456e-01 4.28 -2.967546847e-01 -2.967546847e-01 4.30 -2.838696604e-01 -2.838696604e-01 4.32 -2.714491698e-01 -2.714491698e-01 4.34 -2.595074359e-01 -2.595074359e-01 4.36 -2.480558043e-01 -2.480558043e-01 4.38 -2.371010463e-01 -2.371010463e-01 4.40 -2.266441564e-01 -2.266441564e-01 4.42 -2.166797497e-01 -2.166797497e-01 4.44 -2.071960545e-01 -2.071960545e-01 4.46 -1.981754173e-01 -1.981754173e-01 4.48 -1.895951737e-01 -1.895951737e-01 4.50 -1.814287280e-01 -1.814287280e-01 4.52 -1.736466911e-01 -1.736466911e-01 4.54 -1.662179634e-01 -1.662179634e-01 4.56 -1.591106872e-01 -1.591106872e-01 4.58 -1.522930330e-01 -1.522930330e-01 4.60 -1.457338172e-01 -1.457338172e-01 4.62 -1.394029669e-01 -1.394029669e-01 4.64 -1.332718681e-01 -1.332718681e-01 4.66 -1.273136315e-01 -1.273136315e-01 4.68 -1.215033180e-01 -1.215033180e-01 4.70 -1.158181569e-01 -1.158181569e-01 4.72 -1.102377874e-01 -1.102377874e-01 4.74 -1.047445409e-01 -1.047445409e-01 4.76 -9.932377539e-02 -9.932377539e-02 4.78 -9.396425569e-02 -9.396425569e-02 4.80 -8.865855993e-02 -8.865855993e-02 4.82 -8.340348072e-02 -8.340348072e-02 4.84 -7.820035948e-02 -7.820035948e-02 4.86 -7.305530369e-02 -7.305530369e-02 4.88 -6.797920820e-02 -6.797920820e-02 4.90 -6.298752154e-02 -6.298752154e-02 4.92 -5.809970463e-02 -5.809970463e-02 4.94 -5.333837208e-02 -5.333837208e-02 4.96 -4.872814285e-02 -4.872814285e-02 4.98 -4.429426848e-02 -4.429426848e-02 5.00 -4.006116103e-02 -4.006116103e-02 5.02 -3.605095989e-02 -3.605095989e-02 5.04 -3.228226899e-02 -3.228226899e-02 5.06 -2.876918722e-02 -2.876918722e-02 5.08 -2.552037414e-02 -2.552037414e-02 5.10 -2.253917127e-02 -2.253917127e-02 5.12 -1.982457460e-02 -1.982457460e-02 5.14 -1.737076936e-02 -1.737076936e-02 5.16 -1.516784243e-02 -1.516784243e-02 5.18 -1.320264279e-02 -1.320264279e-02 5.20 -1.145967206e-02 -1.145967206e-02 5.22 -9.921933178e-03 -9.921933178e-03 5.24 -8.571686932e-03 -8.571686932e-03 5.26 -7.391088005e-03 -7.391088005e-03 5.28 -6.362689793e-03 -6.362689793e-03 5.30 -5.469821081e-03 -5.469821081e-03 5.32 -4.696846457e-03 -4.696846457e-03 5.34 -4.029327255e-03 -4.029327255e-03 5.36 -3.454101594e-03 -3.454101594e-03 5.38 -2.959301721e-03 -2.959301721e-03 5.40 -2.534325145e-03 -2.534325145e-03 5.42 -2.169773682e-03 -2.169773682e-03 5.44 -1.857371947e-03 -1.857371947e-03 5.46 -1.589874330e-03 -1.589874330e-03 5.48 -1.360967260e-03 -1.360967260e-03 5.50 -1.165171671e-03 -1.165171671e-03 5.52 -9.977490380e-04 -9.977490380e-04 5.54 -8.546131468e-04 -8.546131468e-04 5.56 -7.322488357e-04 -7.322488357e-04 5.58 -6.276382902e-04 -6.276382902e-04 5.60 -5.381949856e-04 -5.381949856e-04 5.62 -4.617050578e-04 -4.617050578e-04 5.64 -3.962756772e-04 -3.962756772e-04 5.66 -3.402898856e-04 -3.402898856e-04 5.68 -2.923672965e-04 -2.923672965e-04 5.70 -2.513300518e-04 -2.513300518e-04 5.72 -2.161734385e-04 -2.161734385e-04 5.74 -1.860406059e-04 -1.860406059e-04 5.76 -1.602008653e-04 -1.602008653e-04 5.78 -1.380311036e-04 -1.380311036e-04 5.80 -1.189998902e-04 -1.189998902e-04 5.82 -1.026539068e-04 -1.026539068e-04 5.84 -8.860637217e-05 -8.860637217e-05 5.86 -7.652717686e-05 -7.652717686e-05 5.88 -6.613448222e-05 -6.613448222e-05 5.90 -5.718756823e-05 -5.718756823e-05 5.92 -4.948074735e-05 -4.948074735e-05 5.94 -4.283818624e-05 -4.283818624e-05 5.96 -3.710950042e-05 -3.710950042e-05 5.98 -3.216600630e-05 -3.216600630e-05 6.00 -2.789753237e-05 -2.789753237e-05