# 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 = CuPt2Ta # 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 3.499821419e+02 3.499821419e+02 1.30 3.263246519e+02 3.263246519e+02 1.32 3.042938196e+02 3.042938196e+02 1.34 2.837843132e+02 2.837843132e+02 1.36 2.646834301e+02 2.646834301e+02 1.38 2.468747451e+02 2.468747451e+02 1.40 2.302459716e+02 2.302459716e+02 1.42 2.146954656e+02 2.146954656e+02 1.44 2.001332551e+02 2.001332551e+02 1.46 1.864799329e+02 1.864799329e+02 1.48 1.736677727e+02 1.736677727e+02 1.50 1.616418655e+02 1.616418655e+02 1.52 1.503572710e+02 1.503572710e+02 1.54 1.397730519e+02 1.397730519e+02 1.56 1.298471930e+02 1.298471930e+02 1.58 1.205346710e+02 1.205346710e+02 1.60 1.117882168e+02 1.117882168e+02 1.62 1.035604582e+02 1.035604582e+02 1.64 9.580648286e+01 9.580648286e+01 1.66 8.848624481e+01 8.848624481e+01 1.68 8.156632750e+01 8.156632750e+01 1.70 7.502058145e+01 7.502058145e+01 1.72 6.882923382e+01 6.882923382e+01 1.74 6.297643541e+01 6.297643541e+01 1.76 5.744712021e+01 5.744712021e+01 1.78 5.222742961e+01 5.222742961e+01 1.80 4.729904372e+01 4.729904372e+01 1.82 4.264068125e+01 4.264068125e+01 1.84 3.826912319e+01 3.826912319e+01 1.86 3.424453147e+01 3.424453147e+01 1.88 3.054405256e+01 3.054405256e+01 1.90 2.714523896e+01 2.714523896e+01 1.92 2.402774938e+01 2.402774938e+01 1.94 2.117212975e+01 2.117212975e+01 1.96 1.855951006e+01 1.855951006e+01 1.98 1.617192669e+01 1.617192669e+01 2.00 1.399265080e+01 1.399265080e+01 2.02 1.200616565e+01 1.200616565e+01 2.04 1.019787015e+01 1.019787015e+01 2.06 8.553778659e+00 8.553778659e+00 2.08 7.060397510e+00 7.060397510e+00 2.10 5.704781696e+00 5.704781696e+00 2.12 4.474676510e+00 4.474676510e+00 2.14 3.358656619e+00 3.358656619e+00 2.16 2.346226463e+00 2.346226463e+00 2.18 1.427879226e+00 1.427879226e+00 2.20 5.951155151e-01 5.951155151e-01 2.22 -1.595813062e-01 -1.595813062e-01 2.24 -8.428131415e-01 -8.428131415e-01 2.26 -1.460370999e+00 -1.460370999e+00 2.28 -2.017362137e+00 -2.017362137e+00 2.30 -2.518346262e+00 -2.518346262e+00 2.32 -2.967465211e+00 -2.967465211e+00 2.34 -3.368550447e+00 -3.368550447e+00 2.36 -3.725197351e+00 -3.725197351e+00 2.38 -4.040805698e+00 -4.040805698e+00 2.40 -4.318597368e+00 -4.318597368e+00 2.42 -4.561627652e+00 -4.561627652e+00 2.44 -4.772802465e+00 -4.772802465e+00 2.46 -4.954904342e+00 -4.954904342e+00 2.48 -5.110562892e+00 -5.110562892e+00 2.50 -5.242346604e+00 -5.242346604e+00 2.52 -5.352934004e+00 -5.352934004e+00 2.54 -5.444880880e+00 -5.444880880e+00 2.56 -5.520559070e+00 -5.520559070e+00 2.58 -5.582085341e+00 -5.582085341e+00 2.60 -5.631259981e+00 -5.631259981e+00 2.62 -5.670754167e+00 -5.670754167e+00 2.64 -5.702718942e+00 -5.702718942e+00 2.66 -5.727250050e+00 -5.727250050e+00 2.68 -5.744396226e+00 -5.744396226e+00 2.70 -5.754201436e+00 -5.754201436e+00 2.72 -5.756723618e+00 -5.756723618e+00 2.74 -5.752042439e+00 -5.752042439e+00 2.76 -5.740257572e+00 -5.740257572e+00 2.78 -5.721482454e+00 -5.721482454e+00 2.80 -5.695839130e+00 -5.695839130e+00 2.82 -5.663458303e+00 -5.663458303e+00 2.84 -5.624486591e+00 -5.624486591e+00 2.86 -5.579100706e+00 -5.579100706e+00 2.88 -5.527526661e+00 -5.527526661e+00 2.90 -5.470068971e+00 -5.470068971e+00 2.92 -5.407274285e+00 -5.407274285e+00 2.94 -5.339567584e+00 -5.339567584e+00 2.96 -5.267387469e+00 -5.267387469e+00 2.98 -5.191271136e+00 -5.191271136e+00 3.00 -5.111815060e+00 -5.111815060e+00 3.02 -5.029626502e+00 -5.029626502e+00 3.04 -4.945274638e+00 -4.945274638e+00 3.06 -4.859250693e+00 -4.859250693e+00 3.08 -4.771943611e+00 -4.771943611e+00 3.10 -4.683641791e+00 -4.683641791e+00 3.12 -4.594550525e+00 -4.594550525e+00 3.14 -4.504792763e+00 -4.504792763e+00 3.16 -4.414428973e+00 -4.414428973e+00 3.18 -4.323479959e+00 -4.323479959e+00 3.20 -4.231947043e+00 -4.231947043e+00 3.22 -4.139828505e+00 -4.139828505e+00 3.24 -4.047132082e+00 -4.047132082e+00 3.26 -3.953883689e+00 -3.953883689e+00 3.28 -3.860132615e+00 -3.860132615e+00 3.30 -3.765953396e+00 -3.765953396e+00 3.32 -3.671444583e+00 -3.671444583e+00 3.34 -3.576724742e+00 -3.576724742e+00 3.36 -3.481926253e+00 -3.481926253e+00 3.38 -3.387187672e+00 -3.387187672e+00 3.40 -3.292645592e+00 -3.292645592e+00 3.42 -3.198426963e+00 -3.198426963e+00 3.44 -3.104642652e+00 -3.104642652e+00 3.46 -3.011382817e+00 -3.011382817e+00 3.48 -2.918715279e+00 -2.918715279e+00 3.50 -2.826745365e+00 -2.826745365e+00 3.52 -2.735647637e+00 -2.735647637e+00 3.54 -2.645570124e+00 -2.645570124e+00 3.56 -2.556631447e+00 -2.556631447e+00 3.58 -2.468928102e+00 -2.468928102e+00 3.60 -2.382541645e+00 -2.382541645e+00 3.62 -2.297545501e+00 -2.297545501e+00 3.64 -2.214011159e+00 -2.214011159e+00 3.66 -2.132013502e+00 -2.132013502e+00 3.68 -2.051635035e+00 -2.051635035e+00 3.70 -1.972968751e+00 -1.972968751e+00 3.72 -1.896119415e+00 -1.896119415e+00 3.74 -1.821203053e+00 -1.821203053e+00 3.76 -1.748344594e+00 -1.748344594e+00 3.78 -1.677673678e+00 -1.677673678e+00 3.80 -1.609318908e+00 -1.609318908e+00 3.82 -1.543400976e+00 -1.543400976e+00 3.84 -1.480025304e+00 -1.480025304e+00 3.86 -1.419274981e+00 -1.419274981e+00 3.88 -1.361204792e+00 -1.361204792e+00 3.90 -1.305837047e+00 -1.305837047e+00 3.92 -1.253159706e+00 -1.253159706e+00 3.94 -1.203127000e+00 -1.203127000e+00 3.96 -1.155662385e+00 -1.155662385e+00 3.98 -1.110663452e+00 -1.110663452e+00 4.00 -1.068008129e+00 -1.068008129e+00 4.02 -1.027561504e+00 -1.027561504e+00 4.04 -9.891825841e-01 -9.891825841e-01 4.06 -9.527304285e-01 -9.527304285e-01 4.08 -9.180692271e-01 -9.180692271e-01 4.10 -8.850720596e-01 -8.850720596e-01 4.12 -8.536232542e-01 -8.536232542e-01 4.14 -8.236192588e-01 -8.236192588e-01 4.16 -7.949683087e-01 -7.949683087e-01 4.18 -7.675890210e-01 -7.675890210e-01 4.20 -7.414082894e-01 -7.414082894e-01 4.22 -7.163588443e-01 -7.163588443e-01 4.24 -6.923768502e-01 -6.923768502e-01 4.26 -6.693998574e-01 -6.693998574e-01 4.28 -6.473653184e-01 -6.473653184e-01 4.30 -6.262097554e-01 -6.262097554e-01 4.32 -6.058685361e-01 -6.058685361e-01 4.34 -5.862761245e-01 -5.862761245e-01 4.36 -5.673666210e-01 -5.673666210e-01 4.38 -5.490744074e-01 -5.490744074e-01 4.40 -5.313347479e-01 -5.313347479e-01 4.42 -5.140842508e-01 -5.140842508e-01 4.44 -4.972611599e-01 -4.972611599e-01 4.46 -4.808054943e-01 -4.808054943e-01 4.48 -4.646590922e-01 -4.646590922e-01 4.50 -4.487656368e-01 -4.487656368e-01 4.52 -4.330707445e-01 -4.330707445e-01 4.54 -4.175221892e-01 -4.175221892e-01 4.56 -4.020703238e-01 -4.020703238e-01 4.58 -3.866687363e-01 -3.866687363e-01 4.60 -3.712751545e-01 -3.712751545e-01 4.62 -3.558526488e-01 -3.558526488e-01 4.64 -3.403710005e-01 -3.403710005e-01 4.66 -3.248082646e-01 -3.248082646e-01 4.68 -3.091529856e-01 -3.091529856e-01 4.70 -2.934057966e-01 -2.934057966e-01 4.72 -2.775780028e-01 -2.775780028e-01 4.74 -2.616955750e-01 -2.616955750e-01 4.76 -2.457995959e-01 -2.457995959e-01 4.78 -2.299458582e-01 -2.299458582e-01 4.80 -2.142036771e-01 -2.142036771e-01 4.82 -1.986538139e-01 -1.986538139e-01 4.84 -1.833855020e-01 -1.833855020e-01 4.86 -1.684927148e-01 -1.684927148e-01 4.88 -1.540699061e-01 -1.540699061e-01 4.90 -1.402075617e-01 -1.402075617e-01 4.92 -1.269879425e-01 -1.269879425e-01 4.94 -1.144813901e-01 -1.144813901e-01 4.96 -1.027435010e-01 -1.027435010e-01 4.98 -9.181336519e-02 -9.181336519e-02 5.00 -8.171293557e-02 -8.171293557e-02 5.02 -7.244746388e-02 -7.244746388e-02 5.04 -6.400683821e-02 -6.400683821e-02 5.06 -5.636758840e-02 -5.636758840e-02 5.08 -4.949530165e-02 -4.949530165e-02 5.10 -4.334720212e-02 -4.334720212e-02 5.12 -3.787468563e-02 -3.787468563e-02 5.14 -3.302564438e-02 -3.302564438e-02 5.16 -2.874650203e-02 -2.874650203e-02 5.18 -2.498388913e-02 -2.498388913e-02 5.20 -2.168595194e-02 -2.168595194e-02 5.22 -1.880330433e-02 -1.880330433e-02 5.24 -1.628968287e-02 -1.628968287e-02 5.26 -1.410223909e-02 -1.410223909e-02 5.28 -1.220160470e-02 -1.220160470e-02 5.30 -1.055275918e-02 -1.055275918e-02 5.32 -9.124222048e-03 -9.124222048e-03 5.34 -7.887857787e-03 -7.887857787e-03 5.36 -6.818697712e-03 -6.818697712e-03 5.38 -5.894711923e-03 -5.894711923e-03 5.40 -5.096556244e-03 -5.096556244e-03 5.42 -4.407311781e-03 -4.407311781e-03 5.44 -3.812229052e-03 -3.812229052e-03 5.46 -3.298484333e-03 -3.298484333e-03 5.48 -2.854952829e-03 -2.854952829e-03 5.50 -2.472000993e-03 -2.472000993e-03 5.52 -2.141298827e-03 -2.141298827e-03 5.54 -1.855651933e-03 -1.855651933e-03 5.56 -1.608852452e-03 -1.608852452e-03 5.58 -1.395547603e-03 -1.395547603e-03 5.60 -1.211124362e-03 -1.211124362e-03 5.62 -1.051608726e-03 -1.051608726e-03 5.64 -9.135780266e-04 -9.135780266e-04 5.66 -7.940848176e-04 -7.940848176e-04 5.68 -6.905909673e-04 -6.905909673e-04 5.70 -6.009106936e-04 -6.009106936e-04 5.72 -5.231614055e-04 -5.231614055e-04 5.74 -4.557213339e-04 -4.557213339e-04 5.76 -3.971930495e-04 -3.971930495e-04 5.78 -3.463720745e-04 -3.463720745e-04 5.80 -3.022198924e-04 -3.022198924e-04 5.82 -2.638407493e-04 -2.638407493e-04 5.84 -2.304617196e-04 -2.304617196e-04 5.86 -2.014155800e-04 -2.014155800e-04 5.88 -1.761260968e-04 -1.761260968e-04 5.90 -1.540953864e-04 -1.540953864e-04 5.92 -1.348930554e-04 -1.348930554e-04 5.94 -1.181468684e-04 -1.181468684e-04 5.96 -1.035347273e-04 -1.035347273e-04 5.98 -9.077777567e-05 -9.077777567e-05 6.00 -7.963446748e-05 -7.963446748e-05