# 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 = Fe2PbTi # 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 2.864176587e+02 2.864176587e+02 1.30 2.646127574e+02 2.646127574e+02 1.32 2.444817192e+02 2.444817192e+02 1.34 2.258855447e+02 2.258855447e+02 1.36 2.086986263e+02 2.086986263e+02 1.38 1.928069943e+02 1.928069943e+02 1.40 1.781069966e+02 1.781069966e+02 1.42 1.645044230e+02 1.645044230e+02 1.44 1.519138339e+02 1.519138339e+02 1.46 1.402579013e+02 1.402579013e+02 1.48 1.294665705e+02 1.294665705e+02 1.50 1.194759714e+02 1.194759714e+02 1.52 1.102272127e+02 1.102272127e+02 1.54 1.016652295e+02 1.016652295e+02 1.56 9.373792357e+01 9.373792357e+01 1.58 8.639586683e+01 8.639586683e+01 1.60 7.959253083e+01 7.959253083e+01 1.62 7.328480308e+01 7.328480308e+01 1.64 6.743347776e+01 6.743347776e+01 1.66 6.200351269e+01 6.200351269e+01 1.68 5.696387451e+01 5.696387451e+01 1.70 5.228700112e+01 5.228700112e+01 1.72 4.794825270e+01 4.794825270e+01 1.74 4.393084381e+01 4.393084381e+01 1.76 4.021571772e+01 4.021571772e+01 1.78 3.678112784e+01 3.678112784e+01 1.80 3.360630970e+01 3.360630970e+01 1.82 3.067162296e+01 3.067162296e+01 1.84 2.795873590e+01 2.795873590e+01 1.86 2.545072759e+01 2.545072759e+01 1.88 2.313206149e+01 2.313206149e+01 1.90 2.098844556e+01 2.098844556e+01 1.92 1.900665057e+01 1.900665057e+01 1.94 1.717435603e+01 1.717435603e+01 1.96 1.548004493e+01 1.548004493e+01 1.98 1.391296100e+01 1.391296100e+01 2.00 1.246309256e+01 1.246309256e+01 2.02 1.112116495e+01 1.112116495e+01 2.04 9.878640175e+00 9.878640175e+00 2.06 8.727731074e+00 8.727731074e+00 2.08 7.661418067e+00 7.661418067e+00 2.10 6.673443164e+00 6.673443164e+00 2.12 5.758258937e+00 5.758258937e+00 2.14 4.910928807e+00 4.910928807e+00 2.16 4.127006366e+00 4.127006366e+00 2.18 3.402420657e+00 3.402420657e+00 2.20 2.733383966e+00 2.733383966e+00 2.22 2.116329434e+00 2.116329434e+00 2.24 1.547869877e+00 1.547869877e+00 2.26 1.024771531e+00 1.024771531e+00 2.28 5.439357105e-01 5.439357105e-01 2.30 1.023978432e-01 1.023978432e-01 2.32 -3.026694007e-01 -3.026694007e-01 2.34 -6.739303333e-01 -6.739303333e-01 2.36 -1.013869435e+00 -1.013869435e+00 2.38 -1.324778374e+00 -1.324778374e+00 2.40 -1.608758090e+00 -1.608758090e+00 2.42 -1.867732320e+00 -1.867732320e+00 2.44 -2.103466910e+00 -2.103466910e+00 2.46 -2.317589571e+00 -2.317589571e+00 2.48 -2.511607936e+00 -2.511607936e+00 2.50 -2.686956755e+00 -2.686956755e+00 2.52 -2.844970958e+00 -2.844970958e+00 2.54 -2.986806640e+00 -2.986806640e+00 2.56 -3.113559757e+00 -3.113559757e+00 2.58 -3.226268827e+00 -3.226268827e+00 2.60 -3.325913613e+00 -3.325913613e+00 2.62 -3.413413779e+00 -3.413413779e+00 2.64 -3.489626983e+00 -3.489626983e+00 2.66 -3.555264686e+00 -3.555264686e+00 2.68 -3.610925797e+00 -3.610925797e+00 2.70 -3.657189178e+00 -3.657189178e+00 2.72 -3.694618770e+00 -3.694618770e+00 2.74 -3.723752610e+00 -3.723752610e+00 2.76 -3.745096441e+00 -3.745096441e+00 2.78 -3.759137425e+00 -3.759137425e+00 2.80 -3.766345643e+00 -3.766345643e+00 2.82 -3.767173452e+00 -3.767173452e+00 2.84 -3.762057216e+00 -3.762057216e+00 2.86 -3.751417529e+00 -3.751417529e+00 2.88 -3.735579711e+00 -3.735579711e+00 2.90 -3.714641314e+00 -3.714641314e+00 2.92 -3.688716143e+00 -3.688716143e+00 2.94 -3.657977297e+00 -3.657977297e+00 2.96 -3.622645731e+00 -3.622645731e+00 2.98 -3.582979265e+00 -3.582979265e+00 3.00 -3.539262493e+00 -3.539262493e+00 3.02 -3.491797363e+00 -3.491797363e+00 3.04 -3.440894769e+00 -3.440894769e+00 3.06 -3.386914076e+00 -3.386914076e+00 3.08 -3.330118020e+00 -3.330118020e+00 3.10 -3.270723430e+00 -3.270723430e+00 3.12 -3.208942686e+00 -3.208942686e+00 3.14 -3.144986875e+00 -3.144986875e+00 3.16 -3.079066630e+00 -3.079066630e+00 3.18 -3.011391935e+00 -3.011391935e+00 3.20 -2.942164213e+00 -2.942164213e+00 3.22 -2.871611040e+00 -2.871611040e+00 3.24 -2.799993780e+00 -2.799993780e+00 3.26 -2.727606429e+00 -2.727606429e+00 3.28 -2.654770299e+00 -2.654770299e+00 3.30 -2.581824939e+00 -2.581824939e+00 3.32 -2.509116115e+00 -2.509116115e+00 3.34 -2.436982128e+00 -2.436982128e+00 3.36 -2.365740026e+00 -2.365740026e+00 3.38 -2.295673356e+00 -2.295673356e+00 3.40 -2.227022648e+00 -2.227022648e+00 3.42 -2.159981053e+00 -2.159981053e+00 3.44 -2.094691654e+00 -2.094691654e+00 3.46 -2.031251309e+00 -2.031251309e+00 3.48 -1.969716042e+00 -1.969716042e+00 3.50 -1.910108400e+00 -1.910108400e+00 3.52 -1.852425137e+00 -1.852425137e+00 3.54 -1.796644068e+00 -1.796644068e+00 3.56 -1.742729358e+00 -1.742729358e+00 3.58 -1.690635052e+00 -1.690635052e+00 3.60 -1.640307175e+00 -1.640307175e+00 3.62 -1.591685050e+00 -1.591685050e+00 3.64 -1.544702544e+00 -1.544702544e+00 3.66 -1.499289662e+00 -1.499289662e+00 3.68 -1.455374609e+00 -1.455374609e+00 3.70 -1.412886051e+00 -1.412886051e+00 3.72 -1.371755206e+00 -1.371755206e+00 3.74 -1.331917401e+00 -1.331917401e+00 3.76 -1.293312906e+00 -1.293312906e+00 3.78 -1.255887074e+00 -1.255887074e+00 3.80 -1.219589937e+00 -1.219589937e+00 3.82 -1.184375522e+00 -1.184375522e+00 3.84 -1.150201112e+00 -1.150201112e+00 3.86 -1.117026621e+00 -1.117026621e+00 3.88 -1.084814168e+00 -1.084814168e+00 3.90 -1.053527843e+00 -1.053527843e+00 3.92 -1.023133161e+00 -1.023133161e+00 3.94 -9.935990184e-01 -9.935990184e-01 3.96 -9.648946230e-01 -9.648946230e-01 3.98 -9.369916706e-01 -9.369916706e-01 4.00 -9.098637215e-01 -9.098637215e-01 4.02 -8.834861102e-01 -8.834861102e-01 4.04 -8.578358172e-01 -8.578358172e-01 4.06 -8.328913146e-01 -8.328913146e-01 4.08 -8.086324001e-01 -8.086324001e-01 4.10 -7.850387657e-01 -7.850387657e-01 4.12 -7.620951336e-01 -7.620951336e-01 4.14 -7.397827894e-01 -7.397827894e-01 4.16 -7.180852999e-01 -7.180852999e-01 4.18 -6.969868594e-01 -6.969868594e-01 4.20 -6.764722004e-01 -6.764722004e-01 4.22 -6.565265190e-01 -6.565265190e-01 4.24 -6.371354142e-01 -6.371354142e-01 4.26 -6.182848393e-01 -6.182848393e-01 4.28 -5.999610616e-01 -5.999610616e-01 4.30 -5.821506302e-01 -5.821506302e-01 4.32 -5.648403502e-01 -5.648403502e-01 4.34 -5.480172606e-01 -5.480172606e-01 4.36 -5.316686160e-01 -5.316686160e-01 4.38 -5.157818712e-01 -5.157818712e-01 4.40 -5.003446671e-01 -5.003446671e-01 4.42 -4.853448175e-01 -4.853448175e-01 4.44 -4.707702972e-01 -4.707702972e-01 4.46 -4.566092301e-01 -4.566092301e-01 4.48 -4.428498774e-01 -4.428498774e-01 4.50 -4.294806263e-01 -4.294806263e-01 4.52 -4.164899786e-01 -4.164899786e-01 4.54 -4.038665392e-01 -4.038665392e-01 4.56 -3.915990061e-01 -3.915990061e-01 4.58 -3.796761607e-01 -3.796761607e-01 4.60 -3.680868606e-01 -3.680868606e-01 4.62 -3.568200345e-01 -3.568200345e-01 4.64 -3.458646815e-01 -3.458646815e-01 4.66 -3.352098761e-01 -3.352098761e-01 4.68 -3.248447800e-01 -3.248447800e-01 4.70 -3.147586636e-01 -3.147586636e-01 4.72 -3.049409397e-01 -3.049409397e-01 4.74 -2.953812109e-01 -2.953812109e-01 4.76 -2.860693347e-01 -2.860693347e-01 4.78 -2.769955064e-01 -2.769955064e-01 4.80 -2.681495408e-01 -2.681495408e-01 4.82 -2.595244137e-01 -2.595244137e-01 4.84 -2.511110509e-01 -2.511110509e-01 4.86 -2.429022070e-01 -2.429022070e-01 4.88 -2.348916339e-01 -2.348916339e-01 4.90 -2.270742160e-01 -2.270742160e-01 4.92 -2.194460735e-01 -2.194460735e-01 4.94 -2.120046168e-01 -2.120046168e-01 4.96 -2.047485301e-01 -2.047485301e-01 4.98 -1.976776731e-01 -1.976776731e-01 5.00 -1.907928931e-01 -1.907928931e-01 5.02 -1.840957538e-01 -1.840957538e-01 5.04 -1.775881985e-01 -1.775881985e-01 5.06 -1.712721784e-01 -1.712721784e-01 5.08 -1.651491203e-01 -1.651491203e-01 5.10 -1.592195473e-01 -1.592195473e-01 5.12 -1.534837043e-01 -1.534837043e-01 5.14 -1.479407119e-01 -1.479407119e-01 5.16 -1.425884771e-01 -1.425884771e-01 5.18 -1.374237589e-01 -1.374237589e-01 5.20 -1.324423094e-01 -1.324423094e-01 5.22 -1.276390597e-01 -1.276390597e-01 5.24 -1.230083174e-01 -1.230083174e-01 5.26 -1.185439333e-01 -1.185439333e-01 5.28 -1.142393873e-01 -1.142393873e-01 5.30 -1.100881044e-01 -1.100881044e-01 5.32 -1.060834155e-01 -1.060834155e-01 5.34 -1.022185631e-01 -1.022185631e-01 5.36 -9.848670784e-02 -9.848670784e-02 5.38 -9.488092371e-02 -9.488092371e-02 5.40 -9.139419172e-02 -9.139419172e-02 5.42 -8.801940318e-02 -8.801940318e-02 5.44 -8.474937825e-02 -8.474937825e-02 5.46 -8.157690376e-02 -8.157690376e-02 5.48 -7.849479094e-02 -7.849479094e-02 5.50 -7.549595220e-02 -7.549595220e-02 5.52 -7.257349424e-02 -7.257349424e-02 5.54 -6.972082443e-02 -6.972082443e-02 5.56 -6.693176645e-02 -6.693176645e-02 5.58 -6.420068137e-02 -6.420068137e-02 5.60 -6.152258918e-02 -6.152258918e-02 5.62 -5.889328593e-02 -5.889328593e-02 5.64 -5.630944984e-02 -5.630944984e-02 5.66 -5.376872967e-02 -5.376872967e-02 5.68 -5.126980704e-02 -5.126980704e-02 5.70 -4.881242487e-02 -4.881242487e-02 5.72 -4.639737418e-02 -4.639737418e-02 5.74 -4.402643381e-02 -4.402643381e-02 5.76 -4.170226033e-02 -4.170226033e-02 5.78 -3.942823028e-02 -3.942823028e-02 5.80 -3.720824151e-02 -3.720824151e-02 5.82 -3.504648582e-02 -3.504648582e-02 5.84 -3.294720929e-02 -3.294720929e-02 5.86 -3.091447911e-02 -3.091447911e-02 5.88 -2.895197342e-02 -2.895197342e-02 5.90 -2.706281447e-02 -2.706281447e-02 5.92 -2.524945340e-02 -2.524945340e-02 5.94 -2.351361194e-02 -2.351361194e-02 5.96 -2.185627948e-02 -2.185627948e-02 5.98 -2.027775799e-02 -2.027775799e-02 6.00 -1.877774255e-02 -1.877774255e-02