# 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 = CuPt2Zr # 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 3.588071936e+02 3.588071936e+02 1.30 3.351277134e+02 3.351277134e+02 1.32 3.130289953e+02 3.130289953e+02 1.34 2.924010103e+02 2.924010103e+02 1.36 2.731381673e+02 2.731381673e+02 1.38 2.551389748e+02 2.551389748e+02 1.40 2.383083289e+02 2.383083289e+02 1.42 2.225605632e+02 2.225605632e+02 1.44 2.078190075e+02 2.078190075e+02 1.46 1.940129346e+02 1.940129346e+02 1.48 1.810764629e+02 1.810764629e+02 1.50 1.689496476e+02 1.689496476e+02 1.52 1.575783142e+02 1.575783142e+02 1.54 1.469115219e+02 1.469115219e+02 1.56 1.368992801e+02 1.368992801e+02 1.58 1.274915839e+02 1.274915839e+02 1.60 1.186390388e+02 1.186390388e+02 1.62 1.102943500e+02 1.102943500e+02 1.64 1.024144359e+02 1.024144359e+02 1.66 9.496229087e+01 9.496229087e+01 1.68 8.790820204e+01 8.790820204e+01 1.70 8.122965682e+01 8.122965682e+01 1.72 7.490977570e+01 7.490977570e+01 1.74 6.893452744e+01 6.893452744e+01 1.76 6.328973111e+01 6.328973111e+01 1.78 5.795908789e+01 5.795908789e+01 1.80 5.292413033e+01 5.292413033e+01 1.82 4.816598282e+01 4.816598282e+01 1.84 4.366698592e+01 4.366698592e+01 1.86 3.941920830e+01 3.941920830e+01 1.88 3.549293297e+01 3.549293297e+01 1.90 3.189088590e+01 3.189088590e+01 1.92 2.858942026e+01 2.858942026e+01 1.94 2.556440598e+01 2.556440598e+01 1.96 2.279156691e+01 2.279156691e+01 1.98 2.024756190e+01 2.024756190e+01 2.00 1.791107459e+01 1.791107459e+01 2.02 1.576336361e+01 1.576336361e+01 2.04 1.378825783e+01 1.378825783e+01 2.06 1.197183175e+01 1.197183175e+01 2.08 1.030196975e+01 1.030196975e+01 2.10 8.767959309e+00 8.767959309e+00 2.12 7.360060660e+00 7.360060660e+00 2.14 6.069181381e+00 6.069181381e+00 2.16 4.886651219e+00 4.886651219e+00 2.18 3.804156535e+00 3.804156535e+00 2.20 2.813814933e+00 2.813814933e+00 2.22 1.908289778e+00 1.908289778e+00 2.24 1.080889465e+00 1.080889465e+00 2.26 3.256137840e-01 3.256137840e-01 2.28 -3.628691210e-01 -3.628691210e-01 2.30 -9.892687616e-01 -9.892687616e-01 2.32 -1.557773410e+00 -1.557773410e+00 2.34 -2.072175803e+00 -2.072175803e+00 2.36 -2.535972427e+00 -2.535972427e+00 2.38 -2.952457865e+00 -2.952457865e+00 2.40 -3.324792712e+00 -3.324792712e+00 2.42 -3.656058060e+00 -3.656058060e+00 2.44 -3.949290834e+00 -3.949290834e+00 2.46 -4.207514457e+00 -4.207514457e+00 2.48 -4.433748295e+00 -4.433748295e+00 2.50 -4.630997283e+00 -4.630997283e+00 2.52 -4.802218714e+00 -4.802218714e+00 2.54 -4.950265457e+00 -4.950265457e+00 2.56 -5.077809387e+00 -5.077809387e+00 2.58 -5.187258884e+00 -5.187258884e+00 2.60 -5.280694516e+00 -5.280694516e+00 2.62 -5.359896714e+00 -5.359896714e+00 2.64 -5.426228731e+00 -5.426228731e+00 2.66 -5.480731991e+00 -5.480731991e+00 2.68 -5.524733192e+00 -5.524733192e+00 2.70 -5.560703557e+00 -5.560703557e+00 2.72 -5.588949708e+00 -5.588949708e+00 2.74 -5.609562188e+00 -5.609562188e+00 2.76 -5.622657075e+00 -5.622657075e+00 2.78 -5.628358105e+00 -5.628358105e+00 2.80 -5.626727334e+00 -5.626727334e+00 2.82 -5.617797072e+00 -5.617797072e+00 2.84 -5.601634879e+00 -5.601634879e+00 2.86 -5.578351011e+00 -5.578351011e+00 2.88 -5.548113820e+00 -5.548113820e+00 2.90 -5.511168295e+00 -5.511168295e+00 2.92 -5.467852856e+00 -5.467852856e+00 2.94 -5.418609051e+00 -5.418609051e+00 2.96 -5.363979174e+00 -5.363979174e+00 2.98 -5.304633332e+00 -5.304633332e+00 3.00 -5.241372562e+00 -5.241372562e+00 3.02 -5.174776089e+00 -5.174776089e+00 3.04 -5.105383943e+00 -5.105383943e+00 3.06 -5.033689370e+00 -5.033689370e+00 3.08 -4.960100892e+00 -4.960100892e+00 3.10 -4.884940990e+00 -4.884940990e+00 3.12 -4.808444935e+00 -4.808444935e+00 3.14 -4.730785828e+00 -4.730785828e+00 3.16 -4.652073219e+00 -4.652073219e+00 3.18 -4.572385258e+00 -4.572385258e+00 3.20 -4.491790873e+00 -4.491790873e+00 3.22 -4.410356804e+00 -4.410356804e+00 3.24 -4.328151468e+00 -4.328151468e+00 3.26 -4.245253561e+00 -4.245253561e+00 3.28 -4.161757892e+00 -4.161757892e+00 3.30 -4.077777497e+00 -4.077777497e+00 3.32 -3.993441627e+00 -3.993441627e+00 3.34 -3.908890025e+00 -3.908890025e+00 3.36 -3.824265036e+00 -3.824265036e+00 3.38 -3.739703659e+00 -3.739703659e+00 3.40 -3.655330642e+00 -3.655330642e+00 3.42 -3.571258966e+00 -3.571258966e+00 3.44 -3.487583784e+00 -3.487583784e+00 3.46 -3.404388085e+00 -3.404388085e+00 3.48 -3.321743911e+00 -3.321743911e+00 3.50 -3.239714459e+00 -3.239714459e+00 3.52 -3.158355469e+00 -3.158355469e+00 3.54 -3.077715783e+00 -3.077715783e+00 3.56 -2.997837253e+00 -2.997837253e+00 3.58 -2.918754279e+00 -2.918754279e+00 3.60 -2.840495421e+00 -2.840495421e+00 3.62 -2.763127509e+00 -2.763127509e+00 3.64 -2.686745693e+00 -2.686745693e+00 3.66 -2.611423728e+00 -2.611423728e+00 3.68 -2.537215146e+00 -2.537215146e+00 3.70 -2.464156974e+00 -2.464156974e+00 3.72 -2.392273770e+00 -2.392273770e+00 3.74 -2.321581880e+00 -2.321581880e+00 3.76 -2.252093730e+00 -2.252093730e+00 3.78 -2.183821832e+00 -2.183821832e+00 3.80 -2.116782117e+00 -2.116782117e+00 3.82 -2.050996150e+00 -2.050996150e+00 3.84 -1.986491877e+00 -1.986491877e+00 3.86 -1.923302704e+00 -1.923302704e+00 3.88 -1.861465020e+00 -1.861465020e+00 3.90 -1.801014567e+00 -1.801014567e+00 3.92 -1.741981214e+00 -1.741981214e+00 3.94 -1.684390251e+00 -1.684390251e+00 3.96 -1.628252100e+00 -1.628252100e+00 3.98 -1.573567023e+00 -1.573567023e+00 4.00 -1.520324632e+00 -1.520324632e+00 4.02 -1.468506405e+00 -1.468506405e+00 4.04 -1.418089225e+00 -1.418089225e+00 4.06 -1.369049292e+00 -1.369049292e+00 4.08 -1.321365789e+00 -1.321365789e+00 4.10 -1.275020399e+00 -1.275020399e+00 4.12 -1.230013256e+00 -1.230013256e+00 4.14 -1.186340767e+00 -1.186340767e+00 4.16 -1.144010557e+00 -1.144010557e+00 4.18 -1.103034896e+00 -1.103034896e+00 4.20 -1.063427462e+00 -1.063427462e+00 4.22 -1.025199616e+00 -1.025199616e+00 4.24 -9.883567002e-01 -9.883567002e-01 4.26 -9.528948906e-01 -9.528948906e-01 4.28 -9.187989824e-01 -9.187989824e-01 4.30 -8.860413486e-01 -8.860413486e-01 4.32 -8.545820717e-01 -8.545820717e-01 4.34 -8.243700738e-01 -8.243700738e-01 4.36 -7.953449370e-01 -7.953449370e-01 4.38 -7.674390560e-01 -7.674390560e-01 4.40 -7.405797958e-01 -7.405797958e-01 4.42 -7.146914095e-01 -7.146914095e-01 4.44 -6.896965798e-01 -6.896965798e-01 4.46 -6.655175575e-01 -6.655175575e-01 4.48 -6.420769550e-01 -6.420769550e-01 4.50 -6.192983084e-01 -6.192983084e-01 4.52 -5.971065407e-01 -5.971065407e-01 4.54 -5.754284558e-01 -5.754284558e-01 4.56 -5.541933649e-01 -5.541933649e-01 4.58 -5.333339151e-01 -5.333339151e-01 4.60 -5.127871544e-01 -5.127871544e-01 4.62 -4.924958334e-01 -4.924958334e-01 4.64 -4.724099151e-01 -4.724099151e-01 4.66 -4.524882352e-01 -4.524882352e-01 4.68 -4.327002265e-01 -4.327002265e-01 4.70 -4.130275917e-01 -4.130275917e-01 4.72 -3.934657795e-01 -3.934657795e-01 4.74 -3.740250934e-01 -3.740250934e-01 4.76 -3.547312525e-01 -3.547312525e-01 4.78 -3.356252281e-01 -3.356252281e-01 4.80 -3.167591677e-01 -3.167591677e-01 4.82 -2.982071574e-01 -2.982071574e-01 4.84 -2.800424121e-01 -2.800424121e-01 4.86 -2.623475616e-01 -2.623475616e-01 4.88 -2.452067896e-01 -2.452067896e-01 4.90 -2.287014353e-01 -2.287014353e-01 4.92 -2.129057589e-01 -2.129057589e-01 4.94 -1.978832375e-01 -1.978832375e-01 4.96 -1.836836938e-01 -1.836836938e-01 4.98 -1.703414549e-01 -1.703414549e-01 5.00 -1.578746112e-01 -1.578746112e-01 5.02 -1.462853212e-01 -1.462853212e-01 5.04 -1.355610058e-01 -1.355610058e-01 5.06 -1.256762091e-01 -1.256762091e-01 5.08 -1.165948779e-01 -1.165948779e-01 5.10 -1.082728211e-01 -1.082728211e-01 5.12 -1.006601459e-01 -1.006601459e-01 5.14 -9.370351742e-02 -9.370351742e-02 5.16 -8.734814315e-02 -8.734814315e-02 5.18 -8.153942918e-02 -8.153942918e-02 5.20 -7.622429776e-02 -7.622429776e-02 5.22 -7.135218654e-02 -7.135218654e-02 5.24 -6.687576204e-02 -6.687576204e-02 5.26 -6.275132933e-02 -6.275132933e-02 5.28 -5.893903720e-02 -5.893903720e-02 5.30 -5.540351533e-02 -5.540351533e-02 5.32 -5.211344776e-02 -5.211344776e-02 5.34 -4.904148008e-02 -4.904148008e-02 5.36 -4.616409821e-02 -4.616409821e-02 5.38 -4.346143596e-02 -4.346143596e-02 5.40 -4.091702281e-02 -4.091702281e-02 5.42 -3.851747867e-02 -3.851747867e-02 5.44 -3.625216108e-02 -3.625216108e-02 5.46 -3.411277177e-02 -3.411277177e-02 5.48 -3.209293308e-02 -3.209293308e-02 5.50 -3.018774888e-02 -3.018774888e-02 5.52 -2.839336916e-02 -2.839336916e-02 5.54 -2.670658054e-02 -2.670658054e-02 5.56 -2.512444305e-02 -2.512444305e-02 5.58 -2.364399108e-02 -2.364399108e-02 5.60 -2.226200589e-02 -2.226200589e-02 5.62 -2.097475956e-02 -2.097475956e-02 5.64 -1.977821749e-02 -1.977821749e-02 5.66 -1.866794268e-02 -1.866794268e-02 5.68 -1.763906701e-02 -1.763906701e-02 5.70 -1.668639006e-02 -1.668639006e-02 5.72 -1.580449622e-02 -1.580449622e-02 5.74 -1.498787576e-02 -1.498787576e-02 5.76 -1.423103866e-02 -1.423103866e-02 5.78 -1.352861377e-02 -1.352861377e-02 5.80 -1.287542939e-02 -1.287542939e-02 5.82 -1.226657384e-02 -1.226657384e-02 5.84 -1.169743696e-02 -1.169743696e-02 5.86 -1.116373466e-02 -1.116373466e-02 5.88 -1.066151948e-02 -1.066151948e-02 5.90 -1.018718018e-02 -1.018718018e-02 5.92 -9.737433543e-03 -9.737433543e-03 5.94 -9.309310925e-03 -9.309310925e-03 5.96 -8.900142108e-03 -8.900142108e-03 5.98 -8.507538140e-03 -8.507538140e-03 6.00 -8.129374708e-03 -8.129374708e-03