# 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 = Cu2NiPb # 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 1.678789317e+02 1.678789317e+02 1.30 1.554024769e+02 1.554024769e+02 1.32 1.438570370e+02 1.438570370e+02 1.34 1.331685456e+02 1.331685456e+02 1.36 1.232684158e+02 1.232684158e+02 1.38 1.140935125e+02 1.140935125e+02 1.40 1.055863385e+02 1.055863385e+02 1.42 9.769508862e+01 9.769508862e+01 1.44 9.037309932e+01 9.037309932e+01 1.46 8.357774346e+01 8.357774346e+01 1.48 7.726938385e+01 7.726938385e+01 1.50 7.141085593e+01 7.141085593e+01 1.52 6.596747993e+01 6.596747993e+01 1.54 6.090719021e+01 6.090719021e+01 1.56 5.620041005e+01 5.620041005e+01 1.58 5.181979070e+01 5.181979070e+01 1.60 4.774257653e+01 4.774257653e+01 1.62 4.395204490e+01 4.395204490e+01 1.64 4.042775745e+01 4.042775745e+01 1.66 3.715170237e+01 3.715170237e+01 1.68 3.410790998e+01 3.410790998e+01 1.70 3.128173245e+01 3.128173245e+01 1.72 2.865926540e+01 2.865926540e+01 1.74 2.622702240e+01 2.622702240e+01 1.76 2.397182897e+01 2.397182897e+01 1.78 2.188086801e+01 2.188086801e+01 1.80 1.994183431e+01 1.994183431e+01 1.82 1.814317629e+01 1.814317629e+01 1.84 1.647430129e+01 1.647430129e+01 1.86 1.492563688e+01 1.492563688e+01 1.88 1.348853338e+01 1.348853338e+01 1.90 1.215508043e+01 1.215508043e+01 1.92 1.091794765e+01 1.091794765e+01 1.94 9.770309142e+00 9.770309142e+00 1.96 8.705830651e+00 8.705830651e+00 1.98 7.718688904e+00 7.718688904e+00 2.00 6.803567711e+00 6.803567711e+00 2.02 5.955615939e+00 5.955615939e+00 2.04 5.170380152e+00 5.170380152e+00 2.06 4.443739992e+00 4.443739992e+00 2.08 3.771861702e+00 3.771861702e+00 2.10 3.151171944e+00 3.151171944e+00 2.12 2.578340900e+00 2.578340900e+00 2.14 2.050261964e+00 2.050261964e+00 2.16 1.564028326e+00 1.564028326e+00 2.18 1.116905784e+00 1.116905784e+00 2.20 7.063051205e-01 7.063051205e-01 2.22 3.297607810e-01 3.297607810e-01 2.24 -1.508517340e-02 -1.508517340e-02 2.26 -3.304964938e-01 -3.304964938e-01 2.28 -6.186620358e-01 -6.186620358e-01 2.30 -8.817107357e-01 -8.817107357e-01 2.32 -1.121728938e+00 -1.121728938e+00 2.34 -1.340742863e+00 -1.340742863e+00 2.36 -1.540683202e+00 -1.540683202e+00 2.38 -1.723326739e+00 -1.723326739e+00 2.40 -1.890244785e+00 -1.890244785e+00 2.42 -2.042776748e+00 -2.042776748e+00 2.44 -2.182037542e+00 -2.182037542e+00 2.46 -2.308953113e+00 -2.308953113e+00 2.48 -2.424303038e+00 -2.424303038e+00 2.50 -2.528761430e+00 -2.528761430e+00 2.52 -2.622930014e+00 -2.622930014e+00 2.54 -2.707362340e+00 -2.707362340e+00 2.56 -2.782563907e+00 -2.782563907e+00 2.58 -2.849214970e+00 -2.849214970e+00 2.60 -2.907746766e+00 -2.907746766e+00 2.62 -2.958135485e+00 -2.958135485e+00 2.64 -3.000469058e+00 -3.000469058e+00 2.66 -3.034937383e+00 -3.034937383e+00 2.68 -3.061829262e+00 -3.061829262e+00 2.70 -3.081524096e+00 -3.081524096e+00 2.72 -3.094478407e+00 -3.094478407e+00 2.74 -3.101211212e+00 -3.101211212e+00 2.76 -3.102309781e+00 -3.102309781e+00 2.78 -3.098357777e+00 -3.098357777e+00 2.80 -3.089889198e+00 -3.089889198e+00 2.82 -3.077368720e+00 -3.077368720e+00 2.84 -3.061187744e+00 -3.061187744e+00 2.86 -3.041670203e+00 -3.041670203e+00 2.88 -3.019086013e+00 -3.019086013e+00 2.90 -2.993667065e+00 -2.993667065e+00 2.92 -2.965621902e+00 -2.965621902e+00 2.94 -2.935146934e+00 -2.935146934e+00 2.96 -2.902436806e+00 -2.902436806e+00 2.98 -2.867715687e+00 -2.867715687e+00 3.00 -2.831150880e+00 -2.831150880e+00 3.02 -2.792898613e+00 -2.792898613e+00 3.04 -2.753120114e+00 -2.753120114e+00 3.06 -2.711981350e+00 -2.711981350e+00 3.08 -2.669645567e+00 -2.669645567e+00 3.10 -2.626274125e+00 -2.626274125e+00 3.12 -2.582022807e+00 -2.582022807e+00 3.14 -2.537039340e+00 -2.537039340e+00 3.16 -2.491452942e+00 -2.491452942e+00 3.18 -2.445385373e+00 -2.445385373e+00 3.20 -2.398948944e+00 -2.398948944e+00 3.22 -2.352244287e+00 -2.352244287e+00 3.24 -2.305358617e+00 -2.305358617e+00 3.26 -2.258364968e+00 -2.258364968e+00 3.28 -2.211322717e+00 -2.211322717e+00 3.30 -2.164279403e+00 -2.164279403e+00 3.32 -2.117273551e+00 -2.117273551e+00 3.34 -2.070337923e+00 -2.070337923e+00 3.36 -2.023502631e+00 -2.023502631e+00 3.38 -1.976797580e+00 -1.976797580e+00 3.40 -1.930253785e+00 -1.930253785e+00 3.42 -1.883904692e+00 -1.883904692e+00 3.44 -1.837784528e+00 -1.837784528e+00 3.46 -1.791928230e+00 -1.791928230e+00 3.48 -1.746369911e+00 -1.746369911e+00 3.50 -1.701141525e+00 -1.701141525e+00 3.52 -1.656271749e+00 -1.656271749e+00 3.54 -1.611785207e+00 -1.611785207e+00 3.56 -1.567702160e+00 -1.567702160e+00 3.58 -1.524038677e+00 -1.524038677e+00 3.60 -1.480807289e+00 -1.480807289e+00 3.62 -1.438018067e+00 -1.438018067e+00 3.64 -1.395680096e+00 -1.395680096e+00 3.66 -1.353803226e+00 -1.353803226e+00 3.68 -1.312400028e+00 -1.312400028e+00 3.70 -1.271487817e+00 -1.271487817e+00 3.72 -1.231090588e+00 -1.231090588e+00 3.74 -1.191240670e+00 -1.191240670e+00 3.76 -1.151979897e+00 -1.151979897e+00 3.78 -1.113360059e+00 -1.113360059e+00 3.80 -1.075442408e+00 -1.075442408e+00 3.82 -1.038296045e+00 -1.038296045e+00 3.84 -1.001995125e+00 -1.001995125e+00 3.86 -9.666149496e-01 -9.666149496e-01 3.88 -9.322272658e-01 -9.322272658e-01 3.90 -8.988952413e-01 -8.988952413e-01 3.92 -8.666683754e-01 -8.666683754e-01 3.94 -8.355802300e-01 -8.355802300e-01 3.96 -8.056436083e-01 -8.056436083e-01 3.98 -7.768515052e-01 -7.768515052e-01 4.00 -7.491775122e-01 -7.491775122e-01 4.02 -7.225780024e-01 -7.225780024e-01 4.04 -6.969952083e-01 -6.969952083e-01 4.06 -6.723607219e-01 -6.723607219e-01 4.08 -6.485989985e-01 -6.485989985e-01 4.10 -6.256295735e-01 -6.256295735e-01 4.12 -6.033739893e-01 -6.033739893e-01 4.14 -5.817515040e-01 -5.817515040e-01 4.16 -5.606855255e-01 -5.606855255e-01 4.18 -5.401038848e-01 -5.401038848e-01 4.20 -5.199401232e-01 -5.199401232e-01 4.22 -5.001346896e-01 -5.001346896e-01 4.24 -4.806361406e-01 -4.806361406e-01 4.26 -4.614023921e-01 -4.614023921e-01 4.28 -4.424020198e-01 -4.424020198e-01 4.30 -4.236155478e-01 -4.236155478e-01 4.32 -4.050366088e-01 -4.050366088e-01 4.34 -3.866728091e-01 -3.866728091e-01 4.36 -3.685460978e-01 -3.685460978e-01 4.38 -3.506924413e-01 -3.506924413e-01 4.40 -3.331606333e-01 -3.331606333e-01 4.42 -3.160101537e-01 -3.160101537e-01 4.44 -2.993081010e-01 -2.993081010e-01 4.46 -2.831253626e-01 -2.831253626e-01 4.48 -2.675323186e-01 -2.675323186e-01 4.50 -2.525944704e-01 -2.525944704e-01 4.52 -2.383684286e-01 -2.383684286e-01 4.54 -2.248986528e-01 -2.248986528e-01 4.56 -2.122152401e-01 -2.122152401e-01 4.58 -2.003329013e-01 -2.003329013e-01 4.60 -1.892511150e-01 -1.892511150e-01 4.62 -1.789553105e-01 -1.789553105e-01 4.64 -1.694188123e-01 -1.694188123e-01 4.66 -1.606052424e-01 -1.606052424e-01 4.68 -1.524711091e-01 -1.524711091e-01 4.70 -1.449683298e-01 -1.449683298e-01 4.72 -1.380458776e-01 -1.380458776e-01 4.74 -1.316530153e-01 -1.316530153e-01 4.76 -1.257406482e-01 -1.257406482e-01 4.78 -1.202616126e-01 -1.202616126e-01 4.80 -1.151707767e-01 -1.151707767e-01 4.82 -1.104288894e-01 -1.104288894e-01 4.84 -1.059976531e-01 -1.059976531e-01 4.86 -1.018433820e-01 -1.018433820e-01 4.88 -9.793595314e-02 -9.793595314e-02 4.90 -9.424861046e-02 -9.424861046e-02 4.92 -9.075771521e-02 -9.075771521e-02 4.94 -8.744247062e-02 -8.744247062e-02 4.96 -8.428464316e-02 -8.428464316e-02 4.98 -8.126829460e-02 -8.126829460e-02 5.00 -7.837953379e-02 -7.837953379e-02 5.02 -7.560629329e-02 -7.560629329e-02 5.04 -7.293813262e-02 -7.293813262e-02 5.06 -7.036606802e-02 -7.036606802e-02 5.08 -6.788242619e-02 -6.788242619e-02 5.10 -6.548071897e-02 -6.548071897e-02 5.12 -6.315553487e-02 -6.315553487e-02 5.14 -6.090244235e-02 -6.090244235e-02 5.16 -5.871789974e-02 -5.871789974e-02 5.18 -5.659916699e-02 -5.659916699e-02 5.20 -5.454421466e-02 -5.454421466e-02 5.22 -5.255162697e-02 -5.255162697e-02 5.24 -5.062049664e-02 -5.062049664e-02 5.26 -4.875030494e-02 -4.875030494e-02 5.28 -4.694073071e-02 -4.694073071e-02 5.30 -4.519170071e-02 -4.519170071e-02 5.32 -4.350320493e-02 -4.350320493e-02 5.34 -4.187514840e-02 -4.187514840e-02 5.36 -4.030725420e-02 -4.030725420e-02 5.38 -3.879898621e-02 -3.879898621e-02 5.40 -3.734949514e-02 -3.734949514e-02 5.42 -3.595758929e-02 -3.595758929e-02 5.44 -3.462172933e-02 -3.462172933e-02 5.46 -3.334004459e-02 -3.334004459e-02 5.48 -3.211036660e-02 -3.211036660e-02 5.50 -3.093027522e-02 -3.093027522e-02 5.52 -2.979715226e-02 -2.979715226e-02 5.54 -2.870823794e-02 -2.870823794e-02 5.56 -2.766068629e-02 -2.766068629e-02 5.58 -2.665161675e-02 -2.665161675e-02 5.60 -2.567815992e-02 -2.567815992e-02 5.62 -2.473749669e-02 -2.473749669e-02 5.64 -2.382689052e-02 -2.382689052e-02 5.66 -2.294371346e-02 -2.294371346e-02 5.68 -2.208546684e-02 -2.208546684e-02 5.70 -2.124979757e-02 -2.124979757e-02 5.72 -2.043451121e-02 -2.043451121e-02 5.74 -1.963758310e-02 -1.963758310e-02 5.76 -1.885716832e-02 -1.885716832e-02 5.78 -1.809161137e-02 -1.809161137e-02 5.80 -1.733945602e-02 -1.733945602e-02 5.82 -1.659945568e-02 -1.659945568e-02 5.84 -1.587058419e-02 -1.587058419e-02 5.86 -1.515204667e-02 -1.515204667e-02 5.88 -1.444328990e-02 -1.444328990e-02 5.90 -1.374401130e-02 -1.374401130e-02 5.92 -1.305416529e-02 -1.305416529e-02 5.94 -1.237395460e-02 -1.237395460e-02 5.96 -1.170378685e-02 -1.170378685e-02 5.98 -1.104438641e-02 -1.104438641e-02 6.00 -1.039672119e-02 -1.039672119e-02