# 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 = CoNiPt2 # 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 2.562184293e+02 2.562184293e+02 1.30 2.379003008e+02 2.379003008e+02 1.32 2.208173432e+02 2.208173432e+02 1.34 2.048866608e+02 2.048866608e+02 1.36 1.900319011e+02 1.900319011e+02 1.38 1.761780798e+02 1.761780798e+02 1.40 1.632521196e+02 1.632521196e+02 1.42 1.511859891e+02 1.511859891e+02 1.44 1.399170606e+02 1.399170606e+02 1.46 1.293873035e+02 1.293873035e+02 1.48 1.195443295e+02 1.195443295e+02 1.50 1.103421251e+02 1.103421251e+02 1.52 1.017388563e+02 1.017388563e+02 1.54 9.369324430e+01 9.369324430e+01 1.56 8.616262460e+01 8.616262460e+01 1.58 7.910360432e+01 7.910360432e+01 1.60 7.247393262e+01 7.247393262e+01 1.62 6.623428347e+01 6.623428347e+01 1.64 6.034972746e+01 6.034972746e+01 1.66 5.479092520e+01 5.479092520e+01 1.68 4.953472342e+01 4.953472342e+01 1.70 4.456381658e+01 4.456381658e+01 1.72 3.989875007e+01 3.989875007e+01 1.74 3.562401342e+01 3.562401342e+01 1.76 3.171934565e+01 3.171934565e+01 1.78 2.815622488e+01 2.815622488e+01 1.80 2.490620726e+01 2.490620726e+01 1.82 2.194232694e+01 2.194232694e+01 1.84 1.924031775e+01 1.924031775e+01 1.86 1.677907834e+01 1.677907834e+01 1.88 1.454024454e+01 1.454024454e+01 1.90 1.250709842e+01 1.250709842e+01 1.92 1.066339593e+01 1.066339593e+01 1.94 8.992768426e+00 8.992768426e+00 1.96 7.478944177e+00 7.478944177e+00 1.98 6.106460442e+00 6.106460442e+00 2.00 4.861315949e+00 4.861315949e+00 2.02 3.731248752e+00 3.731248752e+00 2.04 2.705665738e+00 2.705665738e+00 2.06 1.775397872e+00 1.775397872e+00 2.08 9.324179919e-01 9.324179919e-01 2.10 1.695815348e-01 1.695815348e-01 2.12 -5.195867114e-01 -5.195867114e-01 2.14 -1.141044097e+00 -1.141044097e+00 2.16 -1.700311365e+00 -1.700311365e+00 2.18 -2.202493830e+00 -2.202493830e+00 2.20 -2.652270487e+00 -2.652270487e+00 2.22 -3.053881217e+00 -3.053881217e+00 2.24 -3.411129851e+00 -3.411129851e+00 2.26 -3.727406899e+00 -3.727406899e+00 2.28 -4.005729792e+00 -4.005729792e+00 2.30 -4.248798372e+00 -4.248798372e+00 2.32 -4.459062397e+00 -4.459062397e+00 2.34 -4.638793396e+00 -4.638793396e+00 2.36 -4.790149828e+00 -4.790149828e+00 2.38 -4.915226269e+00 -4.915226269e+00 2.40 -5.016084353e+00 -5.016084353e+00 2.42 -5.094769362e+00 -5.094769362e+00 2.44 -5.154272678e+00 -5.154272678e+00 2.46 -5.198798905e+00 -5.198798905e+00 2.48 -5.229583091e+00 -5.229583091e+00 2.50 -5.247827435e+00 -5.247827435e+00 2.52 -5.254842481e+00 -5.254842481e+00 2.54 -5.251991146e+00 -5.251991146e+00 2.56 -5.240615634e+00 -5.240615634e+00 2.58 -5.221956458e+00 -5.221956458e+00 2.60 -5.197102369e+00 -5.197102369e+00 2.62 -5.166922121e+00 -5.166922121e+00 2.64 -5.131994760e+00 -5.131994760e+00 2.66 -5.092711925e+00 -5.092711925e+00 2.68 -5.049323355e+00 -5.049323355e+00 2.70 -5.001986547e+00 -5.001986547e+00 2.72 -4.950810956e+00 -4.950810956e+00 2.74 -4.895889160e+00 -4.895889160e+00 2.76 -4.837304921e+00 -4.837304921e+00 2.78 -4.775070210e+00 -4.775070210e+00 2.80 -4.709156577e+00 -4.709156577e+00 2.82 -4.639565921e+00 -4.639565921e+00 2.84 -4.566339938e+00 -4.566339938e+00 2.86 -4.489566859e+00 -4.489566859e+00 2.88 -4.409396174e+00 -4.409396174e+00 2.90 -4.326057798e+00 -4.326057798e+00 2.92 -4.239880099e+00 -4.239880099e+00 2.94 -4.151299940e+00 -4.151299940e+00 2.96 -4.060858128e+00 -4.060858128e+00 2.98 -3.969176288e+00 -3.969176288e+00 3.00 -3.876916000e+00 -3.876916000e+00 3.02 -3.784726804e+00 -3.784726804e+00 3.04 -3.693193721e+00 -3.693193721e+00 3.06 -3.602795476e+00 -3.602795476e+00 3.08 -3.513880980e+00 -3.513880980e+00 3.10 -3.426666199e+00 -3.426666199e+00 3.12 -3.341248015e+00 -3.341248015e+00 3.14 -3.257628746e+00 -3.257628746e+00 3.16 -3.175744394e+00 -3.175744394e+00 3.18 -3.095491287e+00 -3.095491287e+00 3.20 -3.016747900e+00 -3.016747900e+00 3.22 -2.939394290e+00 -2.939394290e+00 3.24 -2.863395192e+00 -2.863395192e+00 3.26 -2.788783398e+00 -2.788783398e+00 3.28 -2.715578219e+00 -2.715578219e+00 3.30 -2.643790109e+00 -2.643790109e+00 3.32 -2.573425939e+00 -2.573425939e+00 3.34 -2.504491889e+00 -2.504491889e+00 3.36 -2.436994665e+00 -2.436994665e+00 3.38 -2.370941559e+00 -2.370941559e+00 3.40 -2.306339729e+00 -2.306339729e+00 3.42 -2.243195036e+00 -2.243195036e+00 3.44 -2.181510688e+00 -2.181510688e+00 3.46 -2.121285960e+00 -2.121285960e+00 3.48 -2.062515150e+00 -2.062515150e+00 3.50 -2.005186885e+00 -2.005186885e+00 3.52 -1.949283832e+00 -1.949283832e+00 3.54 -1.894782792e+00 -1.894782792e+00 3.56 -1.841655102e+00 -1.841655102e+00 3.58 -1.789867283e+00 -1.789867283e+00 3.60 -1.739381800e+00 -1.739381800e+00 3.62 -1.690157901e+00 -1.690157901e+00 3.64 -1.642152463e+00 -1.642152463e+00 3.66 -1.595320860e+00 -1.595320860e+00 3.68 -1.549617845e+00 -1.549617845e+00 3.70 -1.504998504e+00 -1.504998504e+00 3.72 -1.461419262e+00 -1.461419262e+00 3.74 -1.418838953e+00 -1.418838953e+00 3.76 -1.377219891e+00 -1.377219891e+00 3.78 -1.336528837e+00 -1.336528837e+00 3.80 -1.296737755e+00 -1.296737755e+00 3.82 -1.257824212e+00 -1.257824212e+00 3.84 -1.219771307e+00 -1.219771307e+00 3.86 -1.182567081e+00 -1.182567081e+00 3.88 -1.146203427e+00 -1.146203427e+00 3.90 -1.110674628e+00 -1.110674628e+00 3.92 -1.075975748e+00 -1.075975748e+00 3.94 -1.042101145e+00 -1.042101145e+00 3.96 -1.009043362e+00 -1.009043362e+00 3.98 -9.767926158e-01 -9.767926158e-01 4.00 -9.453369534e-01 -9.453369534e-01 4.02 -9.146630354e-01 -9.146630354e-01 4.04 -8.847573903e-01 -8.847573903e-01 4.06 -8.556078965e-01 -8.556078965e-01 4.08 -8.272052192e-01 -8.272052192e-01 4.10 -7.995439316e-01 -7.995439316e-01 4.12 -7.726231377e-01 -7.726231377e-01 4.14 -7.464463674e-01 -7.464463674e-01 4.16 -7.210208232e-01 -7.210208232e-01 4.18 -6.963559499e-01 -6.963559499e-01 4.20 -6.724615362e-01 -6.724615362e-01 4.22 -6.493455841e-01 -6.493455841e-01 4.24 -6.270122243e-01 -6.270122243e-01 4.26 -6.054599344e-01 -6.054599344e-01 4.28 -5.846802489e-01 -5.846802489e-01 4.30 -5.646570593e-01 -5.646570593e-01 4.32 -5.453665051e-01 -5.453665051e-01 4.34 -5.267773816e-01 -5.267773816e-01 4.36 -5.088519453e-01 -5.088519453e-01 4.38 -4.915469763e-01 -4.915469763e-01 4.40 -4.748149654e-01 -4.748149654e-01 4.42 -4.586053064e-01 -4.586053064e-01 4.44 -4.428654034e-01 -4.428654034e-01 4.46 -4.275416352e-01 -4.275416352e-01 4.48 -4.125801560e-01 -4.125801560e-01 4.50 -3.979275506e-01 -3.979275506e-01 4.52 -3.835313894e-01 -3.835313894e-01 4.54 -3.693407557e-01 -3.693407557e-01 4.56 -3.553068169e-01 -3.553068169e-01 4.58 -3.413835135e-01 -3.413835135e-01 4.60 -3.275284129e-01 -3.275284129e-01 4.62 -3.137037583e-01 -3.137037583e-01 4.64 -2.998777047e-01 -2.998777047e-01 4.66 -2.860257087e-01 -2.860257087e-01 4.68 -2.721319995e-01 -2.721319995e-01 4.70 -2.581910316e-01 -2.581910316e-01 4.72 -2.442087848e-01 -2.442087848e-01 4.74 -2.302037579e-01 -2.302037579e-01 4.76 -2.162074892e-01 -2.162074892e-01 4.78 -2.022644462e-01 -2.022644462e-01 4.80 -1.884311581e-01 -1.884311581e-01 4.82 -1.747745273e-01 -1.747745273e-01 4.84 -1.613693268e-01 -1.613693268e-01 4.86 -1.482950255e-01 -1.482950255e-01 4.88 -1.356321103e-01 -1.356321103e-01 4.90 -1.234582217e-01 -1.234582217e-01 4.92 -1.118444256e-01 -1.118444256e-01 4.94 -1.008519409e-01 -1.008519409e-01 4.96 -9.052959267e-02 -9.052959267e-02 4.98 -8.091284679e-02 -8.091284679e-02 5.00 -7.202201307e-02 -7.202201307e-02 5.02 -6.386215092e-02 -6.386215092e-02 5.04 -5.642507340e-02 -5.642507340e-02 5.06 -4.969097723e-02 -4.969097723e-02 5.08 -4.363045528e-02 -4.363045528e-02 5.10 -3.820667997e-02 -3.820667997e-02 5.12 -3.337757556e-02 -3.337757556e-02 5.14 -2.909783953e-02 -2.909783953e-02 5.16 -2.532071923e-02 -2.532071923e-02 5.18 -2.199949334e-02 -2.199949334e-02 5.20 -1.908863993e-02 -1.908863993e-02 5.22 -1.654471014e-02 -1.654471014e-02 5.24 -1.432693041e-02 -1.432693041e-02 5.26 -1.239747717e-02 -1.239747717e-02 5.28 -1.072154757e-02 -1.072154757e-02 5.30 -9.268186594e-03 -9.268186594e-03 5.32 -8.009546811e-03 -8.009546811e-03 5.34 -6.920724241e-03 -6.920724241e-03 5.36 -5.979610305e-03 -5.979610305e-03 5.38 -5.166695989e-03 -5.166695989e-03 5.40 -4.464851365e-03 -4.464851365e-03 5.42 -3.859096847e-03 -3.859096847e-03 5.44 -3.336377346e-03 -3.336377346e-03 5.46 -2.885346540e-03 -2.885346540e-03 5.48 -2.496165633e-03 -2.496165633e-03 5.50 -2.160318874e-03 -2.160318874e-03 5.52 -1.870446698e-03 -1.870446698e-03 5.54 -1.620196383e-03 -1.620196383e-03 5.56 -1.404089482e-03 -1.404089482e-03 5.58 -1.217404930e-03 -1.217404930e-03 5.60 -1.056076535e-03 -1.056076535e-03 5.62 -9.166034609e-04 -9.166034609e-04 5.64 -7.959723553e-04 -7.959723553e-04 5.66 -6.915897885e-04 -6.915897885e-04 5.68 -6.012237871e-04 -6.012237871e-04 5.70 -5.229533323e-04 -5.229533323e-04 5.72 -4.551248087e-04 -4.551248087e-04 5.74 -3.963144918e-04 -3.963144918e-04 5.76 -3.452962701e-04 -3.452962701e-04 5.78 -3.010138932e-04 -3.010138932e-04 5.80 -2.625571231e-04 -2.625571231e-04 5.82 -2.291412510e-04 -2.291412510e-04 5.84 -2.000895067e-04 -2.000895067e-04 5.86 -1.748179565e-04 -1.748179565e-04 5.88 -1.528225372e-04 -1.528225372e-04 5.90 -1.336679243e-04 -1.336679243e-04 5.92 -1.169779729e-04 -1.169779729e-04 5.94 -1.024275090e-04 -1.024275090e-04 5.96 -8.973527763e-05 -8.973527763e-05 5.98 -7.865788385e-05 -7.865788385e-05 6.00 -6.898458476e-05 -6.898458476e-05