# 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 = AgCoW2 # 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 3.406399466e+02 3.406399466e+02 1.30 3.141553065e+02 3.141553065e+02 1.32 2.897504560e+02 2.897504560e+02 1.34 2.672458335e+02 2.672458335e+02 1.36 2.464755828e+02 2.464755828e+02 1.38 2.272882993e+02 2.272882993e+02 1.40 2.095481752e+02 2.095481752e+02 1.42 1.931349940e+02 1.931349940e+02 1.44 1.779424686e+02 1.779424686e+02 1.46 1.638757426e+02 1.638757426e+02 1.48 1.508492912e+02 1.508492912e+02 1.50 1.387856769e+02 1.387856769e+02 1.52 1.276147396e+02 1.276147396e+02 1.54 1.172727836e+02 1.172727836e+02 1.56 1.077017076e+02 1.077017076e+02 1.58 9.884812594e+01 9.884812594e+01 1.60 9.066248370e+01 9.066248370e+01 1.62 8.309821337e+01 8.309821337e+01 1.64 7.611105125e+01 7.611105125e+01 1.66 6.965863261e+01 6.965863261e+01 1.68 6.370042149e+01 6.370042149e+01 1.70 5.819789226e+01 5.819789226e+01 1.72 5.311476811e+01 5.311476811e+01 1.74 4.841717502e+01 4.841717502e+01 1.76 4.407372177e+01 4.407372177e+01 1.78 4.005557767e+01 4.005557767e+01 1.80 3.633675474e+01 3.633675474e+01 1.82 3.289495384e+01 3.289495384e+01 1.84 2.970942569e+01 2.970942569e+01 1.86 2.676161901e+01 2.676161901e+01 1.88 2.403555264e+01 2.403555264e+01 1.90 2.151844998e+01 2.151844998e+01 1.92 1.919673226e+01 1.919673226e+01 1.94 1.705744913e+01 1.705744913e+01 1.96 1.508829469e+01 1.508829469e+01 1.98 1.327747457e+01 1.327747457e+01 2.00 1.161367184e+01 1.161367184e+01 2.02 1.008605434e+01 1.008605434e+01 2.04 8.684269211e+00 8.684269211e+00 2.06 7.398405080e+00 7.398405080e+00 2.08 6.218944301e+00 6.218944301e+00 2.10 5.136747571e+00 5.136747571e+00 2.12 4.143100568e+00 4.143100568e+00 2.14 3.229821374e+00 3.229821374e+00 2.16 2.389398217e+00 2.389398217e+00 2.18 1.615112408e+00 1.615112408e+00 2.20 9.011056930e-01 9.011056930e-01 2.22 2.423710095e-01 2.423710095e-01 2.24 -3.653286721e-01 -3.653286721e-01 2.26 -9.255890196e-01 -9.255890196e-01 2.28 -1.441509188e+00 -1.441509188e+00 2.30 -1.915826436e+00 -1.915826436e+00 2.32 -2.351024895e+00 -2.351024895e+00 2.34 -2.749413423e+00 -2.749413423e+00 2.36 -3.113174958e+00 -3.113174958e+00 2.38 -3.444393320e+00 -3.444393320e+00 2.40 -3.744916348e+00 -3.744916348e+00 2.42 -4.016677000e+00 -4.016677000e+00 2.44 -4.261694309e+00 -4.261694309e+00 2.46 -4.481857976e+00 -4.481857976e+00 2.48 -4.678932774e+00 -4.678932774e+00 2.50 -4.854562223e+00 -4.854562223e+00 2.52 -5.010273179e+00 -5.010273179e+00 2.54 -5.147458170e+00 -5.147458170e+00 2.56 -5.266979103e+00 -5.266979103e+00 2.58 -5.369324365e+00 -5.369324365e+00 2.60 -5.455031755e+00 -5.455031755e+00 2.62 -5.524680064e+00 -5.524680064e+00 2.64 -5.578864629e+00 -5.578864629e+00 2.66 -5.618175254e+00 -5.618175254e+00 2.68 -5.643181244e+00 -5.643181244e+00 2.70 -5.654426270e+00 -5.654426270e+00 2.72 -5.652432098e+00 -5.652432098e+00 2.74 -5.637707664e+00 -5.637707664e+00 2.76 -5.610759739e+00 -5.610759739e+00 2.78 -5.572122567e+00 -5.572122567e+00 2.80 -5.522348579e+00 -5.522348579e+00 2.82 -5.461953988e+00 -5.461953988e+00 2.84 -5.391496878e+00 -5.391496878e+00 2.86 -5.311589905e+00 -5.311589905e+00 2.88 -5.222912312e+00 -5.222912312e+00 2.90 -5.126222447e+00 -5.126222447e+00 2.92 -5.022368158e+00 -5.022368158e+00 2.94 -4.912289762e+00 -4.912289762e+00 2.96 -4.796977533e+00 -4.796977533e+00 2.98 -4.677463060e+00 -4.677463060e+00 3.00 -4.554834959e+00 -4.554834959e+00 3.02 -4.430199230e+00 -4.430199230e+00 3.04 -4.304630053e+00 -4.304630053e+00 3.06 -4.179118449e+00 -4.179118449e+00 3.08 -4.054525285e+00 -4.054525285e+00 3.10 -3.931619485e+00 -3.931619485e+00 3.12 -3.810934386e+00 -3.810934386e+00 3.14 -3.692637685e+00 -3.692637685e+00 3.16 -3.576734163e+00 -3.576734163e+00 3.18 -3.463088292e+00 -3.463088292e+00 3.20 -3.351452891e+00 -3.351452891e+00 3.22 -3.241502115e+00 -3.241502115e+00 3.24 -3.132873743e+00 -3.132873743e+00 3.26 -3.025208726e+00 -3.025208726e+00 3.28 -2.918165214e+00 -2.918165214e+00 3.30 -2.811443222e+00 -2.811443222e+00 3.32 -2.704807578e+00 -2.704807578e+00 3.34 -2.598107014e+00 -2.598107014e+00 3.36 -2.491289005e+00 -2.491289005e+00 3.38 -2.384409670e+00 -2.384409670e+00 3.40 -2.277637868e+00 -2.277637868e+00 3.42 -2.171252566e+00 -2.171252566e+00 3.44 -2.065632878e+00 -2.065632878e+00 3.46 -1.961240715e+00 -1.961240715e+00 3.48 -1.858596866e+00 -1.858596866e+00 3.50 -1.758252182e+00 -1.758252182e+00 3.52 -1.660756340e+00 -1.660756340e+00 3.54 -1.566627097e+00 -1.566627097e+00 3.56 -1.476322929e+00 -1.476322929e+00 3.58 -1.390221467e+00 -1.390221467e+00 3.60 -1.308605283e+00 -1.308605283e+00 3.62 -1.231655570e+00 -1.231655570e+00 3.64 -1.159453241e+00 -1.159453241e+00 3.66 -1.091986239e+00 -1.091986239e+00 3.68 -1.029161354e+00 -1.029161354e+00 3.70 -9.708187231e-01 -9.708187231e-01 3.72 -9.167473338e-01 -9.167473338e-01 3.74 -8.667001419e-01 -8.667001419e-01 3.76 -8.204078212e-01 -8.204078212e-01 3.78 -7.775905536e-01 -7.775905536e-01 3.80 -7.379676033e-01 -7.379676033e-01 3.82 -7.012646760e-01 -7.012646760e-01 3.84 -6.672192410e-01 -6.672192410e-01 3.86 -6.355840872e-01 -6.355840872e-01 3.88 -6.061294272e-01 -6.061294272e-01 3.90 -5.786438603e-01 -5.786438603e-01 3.92 -5.529344799e-01 -5.529344799e-01 3.94 -5.288263746e-01 -5.288263746e-01 3.96 -5.061617221e-01 -5.061617221e-01 3.98 -4.847986466e-01 -4.847986466e-01 4.00 -4.646099611e-01 -4.646099611e-01 4.02 -4.454818946e-01 -4.454818946e-01 4.04 -4.273128725e-01 -4.273128725e-01 4.06 -4.100124041e-01 -4.100124041e-01 4.08 -3.935001101e-01 -3.935001101e-01 4.10 -3.777049084e-01 -3.777049084e-01 4.12 -3.625643735e-01 -3.625643735e-01 4.14 -3.480242366e-01 -3.480242366e-01 4.16 -3.340380293e-01 -3.340380293e-01 4.18 -3.205668037e-01 -3.205668037e-01 4.20 -3.075788710e-01 -3.075788710e-01 4.22 -2.950494812e-01 -2.950494812e-01 4.24 -2.829603586e-01 -2.829603586e-01 4.26 -2.712990203e-01 -2.712990203e-01 4.28 -2.600578357e-01 -2.600578357e-01 4.30 -2.492328251e-01 -2.492328251e-01 4.32 -2.388222633e-01 -2.388222633e-01 4.34 -2.288251938e-01 -2.288251938e-01 4.36 -2.192399990e-01 -2.192399990e-01 4.38 -2.100630219e-01 -2.100630219e-01 4.40 -2.012878296e-01 -2.012878296e-01 4.42 -1.929050002e-01 -1.929050002e-01 4.44 -1.849015502e-01 -1.849015502e-01 4.46 -1.772611495e-01 -1.772611495e-01 4.48 -1.699644674e-01 -1.699644674e-01 4.50 -1.629900348e-01 -1.629900348e-01 4.52 -1.563149147e-01 -1.563149147e-01 4.54 -1.499151812e-01 -1.499151812e-01 4.56 -1.437665196e-01 -1.437665196e-01 4.58 -1.378447280e-01 -1.378447280e-01 4.60 -1.321261179e-01 -1.321261179e-01 4.62 -1.265878230e-01 -1.265878230e-01 4.64 -1.212080377e-01 -1.212080377e-01 4.66 -1.159662096e-01 -1.159662096e-01 4.68 -1.108432113e-01 -1.108432113e-01 4.70 -1.058215148e-01 -1.058215148e-01 4.72 -1.008853881e-01 -1.008853881e-01 4.74 -9.602112466e-02 -9.602112466e-02 4.76 -9.121731469e-02 -9.121731469e-02 4.78 -8.646515045e-02 -8.646515045e-02 4.80 -8.175875317e-02 -8.175875317e-02 4.82 -7.709549824e-02 -7.709549824e-02 4.84 -7.247629208e-02 -7.247629208e-02 4.86 -6.790576787e-02 -6.790576787e-02 4.88 -6.339233900e-02 -6.339233900e-02 4.90 -5.894806607e-02 -5.894806607e-02 4.92 -5.458829960e-02 -5.458829960e-02 4.94 -5.033108249e-02 -5.033108249e-02 4.96 -4.619632516e-02 -4.619632516e-02 4.98 -4.220479863e-02 -4.220479863e-02 5.00 -3.837702126e-02 -3.837702126e-02 5.02 -3.473213525e-02 -3.473213525e-02 5.04 -3.128687538e-02 -3.128687538e-02 5.06 -2.805472093e-02 -2.805472093e-02 5.08 -2.504530193e-02 -2.504530193e-02 5.10 -2.226409143e-02 -2.226409143e-02 5.12 -1.971238318e-02 -1.971238318e-02 5.14 -1.738747663e-02 -1.738747663e-02 5.16 -1.528286089e-02 -1.528286089e-02 5.18 -1.338958893e-02 -1.338958893e-02 5.20 -1.169642538e-02 -1.169642538e-02 5.22 -1.019038121e-02 -1.019038121e-02 5.24 -8.857357982e-03 -8.857357982e-03 5.26 -7.682719594e-03 -7.682719594e-03 5.28 -6.651773429e-03 -6.651773429e-03 5.30 -5.750154244e-03 -5.750154244e-03 5.32 -4.964113354e-03 -4.964113354e-03 5.34 -4.280721507e-03 -4.280721507e-03 5.36 -3.687997289e-03 -3.687997289e-03 5.38 -3.174974222e-03 -3.174974222e-03 5.40 -2.731719638e-03 -2.731719638e-03 5.42 -2.349317319e-03 -2.349317319e-03 5.44 -2.019824384e-03 -2.019824384e-03 5.46 -1.736211091e-03 -1.736211091e-03 5.48 -1.492290512e-03 -1.492290512e-03 5.50 -1.282643408e-03 -1.282643408e-03 5.52 -1.102542258e-03 -1.102542258e-03 5.54 -9.478772302e-04 -9.478772302e-04 5.56 -8.150859593e-04 -8.150859593e-04 5.58 -7.010882642e-04 -7.010882642e-04 5.60 -6.032264218e-04 -6.032264218e-04 5.62 -5.192111998e-04 -5.192111998e-04 5.64 -4.470735877e-04 -4.470735877e-04 5.66 -3.851219808e-04 -3.851219808e-04 5.68 -3.319044605e-04 -3.319044605e-04 5.70 -2.861757512e-04 -2.861757512e-04 5.72 -2.468684103e-04 -2.468684103e-04 5.74 -2.130678065e-04 -2.130678065e-04 5.76 -1.839904608e-04 -1.839904608e-04 5.78 -1.589653465e-04 -1.589653465e-04 5.80 -1.374177832e-04 -1.374177832e-04 5.82 -1.188555890e-04 -1.188555890e-04 5.84 -1.028571923e-04 -1.028571923e-04 5.86 -8.906144004e-05 -8.906144004e-05 5.88 -7.715886691e-05 -7.715886691e-05 5.90 -6.688422399e-05 -6.688422399e-05 5.92 -5.801008738e-05 -5.801008738e-05 5.94 -5.034139400e-05 -5.034139400e-05 5.96 -4.371077107e-05 -4.371077107e-05 5.98 -3.797454498e-05 -3.797454498e-05 6.00 -3.300933083e-05 -3.300933083e-05