# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CrCu # 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 2022-05-24 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan -3.761809203e+02 -3.761809203e+02 nan nan 0.84 nan nan nan nan -3.463954374e+02 -3.463954374e+02 nan nan 0.86 nan nan nan nan -3.188981977e+02 -3.188981977e+02 nan nan 0.88 nan nan nan nan -2.936727895e+02 -2.936727895e+02 nan nan 0.90 nan nan nan nan -2.717335669e+02 -2.717335669e+02 nan nan 0.92 -4.148468315e+02 -4.148468315e+02 nan nan -2.520803277e+02 -2.520803277e+02 nan nan 0.94 -3.863550327e+02 -3.863550327e+02 nan nan -2.320840931e+02 -2.320840931e+02 nan nan 0.96 -3.588798877e+02 -3.588798877e+02 nan nan -2.116815807e+02 -2.116815807e+02 nan nan 0.98 -3.346182811e+02 -3.346182811e+02 nan nan -1.921963899e+02 -1.921963899e+02 nan nan 1.00 -3.137497130e+02 -3.137497130e+02 nan nan -1.741553079e+02 -1.741553079e+02 nan nan 1.02 -2.946902583e+02 -2.946902583e+02 nan nan -1.577713506e+02 -1.577713506e+02 nan nan 1.04 -2.770774274e+02 -2.770774274e+02 -3.692209617e+02 -3.692209617e+02 -1.425159019e+02 -1.425159019e+02 -3.897944471e+02 -3.897944471e+02 1.06 -2.610172459e+02 -2.610172459e+02 -3.483149342e+02 -3.483149342e+02 -1.285441202e+02 -1.285441202e+02 -3.675618104e+02 -3.675618104e+02 1.08 -2.451931425e+02 -2.451931425e+02 -3.287079209e+02 -3.287079209e+02 -1.159500544e+02 -1.159500544e+02 -3.460652055e+02 -3.460652055e+02 1.10 -2.291345214e+02 -2.291345214e+02 -3.102156263e+02 -3.102156263e+02 -1.045203977e+02 -1.045203977e+02 -3.250528460e+02 -3.250528460e+02 1.12 -2.139738320e+02 -2.139738320e+02 -2.920259763e+02 -2.920259763e+02 -9.397369989e+01 -9.397369989e+01 -3.050342399e+02 -3.050342399e+02 1.14 -2.004779096e+02 -2.004779096e+02 -2.739694457e+02 -2.739694457e+02 -8.430301613e+01 -8.430301613e+01 -2.866766228e+02 -2.866766228e+02 1.16 -1.886600987e+02 -1.886600987e+02 -2.567522568e+02 -2.567522568e+02 -7.634301996e+01 -7.634301996e+01 -2.704668271e+02 -2.704668271e+02 1.18 -1.777621748e+02 -1.777621748e+02 -2.406952976e+02 -2.406952976e+02 -7.027226075e+01 -7.027226075e+01 -2.558975299e+02 -2.558975299e+02 1.20 -1.669076940e+02 -1.669076940e+02 -2.268223720e+02 -2.268223720e+02 -6.590080137e+01 -6.590080137e+01 -2.425372015e+02 -2.425372015e+02 1.22 -1.559966078e+02 -1.559966078e+02 -2.152540177e+02 -2.152540177e+02 -6.290470013e+01 -6.290470013e+01 -2.301057688e+02 -2.301057688e+02 1.24 -1.453940301e+02 -1.453940301e+02 -2.048621795e+02 -2.048621795e+02 -6.048427028e+01 -6.048427028e+01 -2.184737012e+02 -2.184737012e+02 1.26 -1.350998286e+02 -1.350998286e+02 -1.946317180e+02 -1.946317180e+02 -5.762193661e+01 -5.762193661e+01 -2.076529771e+02 -2.076529771e+02 1.28 -1.250079967e+02 -1.250079967e+02 -1.851581101e+02 -1.851581101e+02 -5.422025214e+01 -5.422025214e+01 -1.972848543e+02 -1.972848543e+02 1.30 -1.147050562e+02 -1.147050562e+02 -1.759002408e+02 -1.759002408e+02 -5.048249718e+01 -5.048249718e+01 -1.870017600e+02 -1.870017600e+02 1.32 -1.042543804e+02 -1.042543804e+02 -1.667468658e+02 -1.667468658e+02 -4.666806905e+01 -4.666806905e+01 -1.768645464e+02 -1.768645464e+02 1.34 -9.352906293e+01 -9.352906293e+01 -1.574067992e+02 -1.574067992e+02 -4.275495276e+01 -4.275495276e+01 -1.670440248e+02 -1.670440248e+02 1.36 -8.328948489e+01 -8.328948489e+01 -1.483827303e+02 -1.483827303e+02 -3.882750155e+01 -3.882750155e+01 -1.575872269e+02 -1.575872269e+02 1.38 -7.400835350e+01 -7.400835350e+01 -1.398714306e+02 -1.398714306e+02 -3.484474691e+01 -3.484474691e+01 -1.485154231e+02 -1.485154231e+02 1.40 -6.607956362e+01 -6.607956362e+01 -1.323333523e+02 -1.323333523e+02 -3.127405375e+01 -3.127405375e+01 -1.400554835e+02 -1.400554835e+02 1.42 -5.966242326e+01 -5.966242326e+01 -1.251375555e+02 -1.251375555e+02 -2.788954364e+01 -2.788954364e+01 -1.323828984e+02 -1.323828984e+02 1.44 -5.425183810e+01 -5.425183810e+01 -1.178624565e+02 -1.178624565e+02 -2.465684811e+01 -2.465684811e+01 -1.253646638e+02 -1.253646638e+02 1.46 -4.945691467e+01 -4.945691467e+01 -1.106509612e+02 -1.106509612e+02 -2.146862564e+01 -2.146862564e+01 -1.185340724e+02 -1.185340724e+02 1.48 -4.474174113e+01 -4.474174113e+01 -1.032295574e+02 -1.032295574e+02 -1.807726219e+01 -1.807726219e+01 -1.115544004e+02 -1.115544004e+02 1.50 -4.014455111e+01 -4.014455111e+01 -9.590591380e+01 -9.590591380e+01 -1.444135280e+01 -1.444135280e+01 -1.044590633e+02 -1.044590633e+02 1.52 -3.580880531e+01 -3.580880531e+01 -8.883714780e+01 -8.883714780e+01 -1.091502302e+01 -1.091502302e+01 -9.731040286e+01 -9.731040286e+01 1.54 -3.185764973e+01 -3.185764973e+01 -8.201176796e+01 -8.201176796e+01 -7.934142149e+00 -7.934142149e+00 -9.005346215e+01 -9.005346215e+01 1.56 -2.834709721e+01 -2.834709721e+01 -7.521426048e+01 -7.521426048e+01 -5.722848536e+00 -5.722848536e+00 -8.276324277e+01 -8.276324277e+01 1.58 -2.526424845e+01 -2.526424845e+01 -6.819805925e+01 -6.819805925e+01 -4.131201338e+00 -4.131201338e+00 -7.549022656e+01 -7.549022656e+01 1.60 -2.254186686e+01 -2.254186686e+01 -6.066365811e+01 -6.066365811e+01 -3.015711758e+00 -3.015711758e+00 -6.833108224e+01 -6.833108224e+01 1.62 -2.040577012e+01 -2.040577012e+01 -5.256195509e+01 -5.256195509e+01 -2.243434318e+00 -2.243434318e+00 -6.136107887e+01 -6.136107887e+01 1.64 -1.832610651e+01 -1.832610651e+01 -4.431083563e+01 -4.431083563e+01 -1.739686192e+00 -1.739686192e+00 -5.437037158e+01 -5.437037158e+01 1.66 -1.630654295e+01 -1.630654295e+01 -3.649614496e+01 -3.649614496e+01 -1.417753849e+00 -1.417753849e+00 -4.753439439e+01 -4.753439439e+01 1.68 -1.444112046e+01 -1.444112046e+01 -2.916648337e+01 -2.916648337e+01 -1.165073752e+00 -1.165073752e+00 -4.087707062e+01 -4.087707062e+01 1.70 -1.259424925e+01 -1.259424925e+01 -2.246132905e+01 -2.246132905e+01 -9.747328254e-01 -9.747328254e-01 -3.458768529e+01 -3.458768529e+01 1.72 -1.076396120e+01 -1.076396120e+01 -1.641030738e+01 -1.641030738e+01 -8.798958471e-01 -8.798958471e-01 -2.865149511e+01 -2.865149511e+01 1.74 -9.039685725e+00 -9.039685725e+00 -1.119092665e+01 -1.119092665e+01 -8.529083131e-01 -8.529083131e-01 -2.312409835e+01 -2.312409835e+01 1.76 -7.478532819e+00 -7.478532819e+00 -7.038593146e+00 -7.038593146e+00 -8.579572748e-01 -8.579572748e-01 -1.791439812e+01 -1.791439812e+01 1.78 -6.138185207e+00 -6.138185207e+00 -4.232808729e+00 -4.232808729e+00 -8.738377453e-01 -8.738377453e-01 -1.300253648e+01 -1.300253648e+01 1.80 -4.992851564e+00 -4.992851564e+00 -2.481704012e+00 -2.481704012e+00 -8.948889256e-01 -8.948889256e-01 -8.514565943e+00 -8.514565943e+00 1.82 -4.049256743e+00 -4.049256743e+00 -1.373485928e+00 -1.373485928e+00 -9.221915279e-01 -9.221915279e-01 -5.078569467e+00 -5.078569467e+00 1.84 -3.220398415e+00 -3.220398415e+00 -6.828590183e-01 -6.828590183e-01 -9.567865454e-01 -9.567865454e-01 -2.808691670e+00 -2.808691670e+00 1.86 -2.558312746e+00 -2.558312746e+00 -2.808369257e-01 -2.808369257e-01 -9.990391467e-01 -9.990391467e-01 -1.370271400e+00 -1.370271400e+00 1.88 -2.082522060e+00 -2.082522060e+00 -1.046169271e-01 -1.046169271e-01 -1.049989459e+00 -1.049989459e+00 -5.054775347e-01 -5.054775347e-01 1.90 -1.786497554e+00 -1.786497554e+00 -9.367154404e-02 -9.367154405e-02 -1.109628898e+00 -1.109628898e+00 -4.221436941e-02 -4.221436941e-02 1.92 -1.623530090e+00 -1.623530090e+00 -1.919855635e-01 -1.919855635e-01 -1.176329340e+00 -1.176329340e+00 1.423155717e-01 1.423155717e-01 1.94 -1.553626667e+00 -1.553626667e+00 -3.593000953e-01 -3.593000953e-01 -1.247992126e+00 -1.247992126e+00 1.238180251e-01 1.238180251e-01 1.96 -1.534283526e+00 -1.534283526e+00 -5.713521712e-01 -5.713521712e-01 -1.323117236e+00 -1.323117236e+00 -2.270420756e-02 -2.270420756e-02 1.98 -1.535812929e+00 -1.535812929e+00 -8.125762502e-01 -8.125762502e-01 -1.401580855e+00 -1.401580855e+00 -2.388907133e-01 -2.388907133e-01 2.00 -1.564473542e+00 -1.564473542e+00 -1.077871303e+00 -1.077865103e+00 -1.484740858e+00 -1.484740816e+00 -4.930611768e-01 -4.930611768e-01 2.02 -1.643896502e+00 -1.643896502e+00 -1.365827645e+00 -1.365827645e+00 -1.573412567e+00 -1.573412567e+00 -7.630357568e-01 -7.630357568e-01 2.04 -1.772483495e+00 -1.772483495e+00 -1.656758541e+00 -1.656758541e+00 -1.665972828e+00 -1.665972828e+00 -1.034590586e+00 -1.034590586e+00 2.06 -1.927506864e+00 -1.927506864e+00 -1.951589131e+00 -1.951589131e+00 -1.762036930e+00 -1.762036930e+00 -1.306792654e+00 -1.306792654e+00 2.08 -2.089891022e+00 -2.089891022e+00 -2.243668218e+00 -2.243668218e+00 -1.860006293e+00 -1.860006293e+00 -1.577118147e+00 -1.577118147e+00 2.10 -2.247558203e+00 -2.247558203e+00 -2.524025949e+00 -2.524025949e+00 -1.957706563e+00 -1.957706563e+00 -1.838563046e+00 -1.838563046e+00 2.12 -2.395895508e+00 -2.395895508e+00 -2.782297155e+00 -2.782297155e+00 -2.052591012e+00 -2.052591012e+00 -2.087318425e+00 -2.087318425e+00 2.14 -2.535641637e+00 -2.535641637e+00 -3.013188047e+00 -3.013188047e+00 -2.144621328e+00 -2.144621328e+00 -2.319276806e+00 -2.319276806e+00 2.16 -2.666267258e+00 -2.666267258e+00 -3.204560262e+00 -3.204560262e+00 -2.227797447e+00 -2.227797447e+00 -2.532220724e+00 -2.532220724e+00 2.18 -2.787187461e+00 -2.787187461e+00 -3.356483180e+00 -3.356483180e+00 -2.301037422e+00 -2.301037422e+00 -2.724322209e+00 -2.724322209e+00 2.20 -2.896549725e+00 -2.896549725e+00 -3.471248299e+00 -3.471248299e+00 -2.362756435e+00 -2.362756435e+00 -2.899772603e+00 -2.899772603e+00 2.22 -2.992560269e+00 -2.992560269e+00 -3.553602322e+00 -3.553602322e+00 -2.412640821e+00 -2.412640821e+00 -3.053558003e+00 -3.053558003e+00 2.24 -3.075085095e+00 -3.075085095e+00 -3.608201964e+00 -3.608201964e+00 -2.451852567e+00 -2.451852567e+00 -3.190638457e+00 -3.190638457e+00 2.26 -3.144607734e+00 -3.144607734e+00 -3.637237192e+00 -3.637237192e+00 -2.481661245e+00 -2.481661245e+00 -3.311736842e+00 -3.311736842e+00 2.28 -3.202389623e+00 -3.202389623e+00 -3.648705397e+00 -3.648705397e+00 -2.503019497e+00 -2.503019497e+00 -3.418419399e+00 -3.418419399e+00 2.30 -3.249979091e+00 -3.249979091e+00 -3.655044672e+00 -3.655044672e+00 -2.516537752e+00 -2.516537752e+00 -3.514781079e+00 -3.514781079e+00 2.32 -3.288806087e+00 -3.288806087e+00 -3.666265486e+00 -3.666265486e+00 -2.522534430e+00 -2.522534430e+00 -3.595586301e+00 -3.595586301e+00 2.34 -3.319904226e+00 -3.319904226e+00 -3.684070860e+00 -3.684070860e+00 -2.521185550e+00 -2.521185550e+00 -3.662664011e+00 -3.662664011e+00 2.36 -3.343816093e+00 -3.343816093e+00 -3.704211148e+00 -3.704211148e+00 -2.512634248e+00 -2.512634248e+00 -3.716723058e+00 -3.716723058e+00 2.38 -3.360600029e+00 -3.360600029e+00 -3.724946025e+00 -3.724946025e+00 -2.496975922e+00 -2.496975922e+00 -3.759324442e+00 -3.759324442e+00 2.40 -3.369937460e+00 -3.369937460e+00 -3.742921925e+00 -3.742921925e+00 -2.479569298e+00 -2.479569298e+00 -3.792528342e+00 -3.792528342e+00 2.42 -3.371354729e+00 -3.371354729e+00 -3.755132150e+00 -3.755132150e+00 -2.454755817e+00 -2.454755817e+00 -3.817890543e+00 -3.817890543e+00 2.44 -3.364655710e+00 -3.364655710e+00 -3.760484073e+00 -3.760484073e+00 -2.425722757e+00 -2.425722757e+00 -3.836302375e+00 -3.836302375e+00 2.46 -3.351697882e+00 -3.351697882e+00 -3.759948561e+00 -3.759948561e+00 -2.393296569e+00 -2.393296569e+00 -3.848253859e+00 -3.848253859e+00 2.48 -3.331635076e+00 -3.331635076e+00 -3.754479526e+00 -3.754479526e+00 -2.358350028e+00 -2.358350028e+00 -3.854344248e+00 -3.854344248e+00 2.50 -3.306554404e+00 -3.306554404e+00 -3.744902218e+00 -3.744902218e+00 -2.321844250e+00 -2.321844250e+00 -3.855247359e+00 -3.855247359e+00 2.52 -3.277706079e+00 -3.277706079e+00 -3.731469713e+00 -3.731469713e+00 -2.284281437e+00 -2.284281437e+00 -3.851021241e+00 -3.851021241e+00 2.54 -3.246018545e+00 -3.246018545e+00 -3.714295372e+00 -3.714295372e+00 -2.245840075e+00 -2.245840075e+00 -3.841238184e+00 -3.841238184e+00 2.56 -3.212227771e+00 -3.212227771e+00 -3.693567089e+00 -3.693567089e+00 -2.206641402e+00 -2.206641402e+00 -3.826009377e+00 -3.826009377e+00 2.58 -3.176798250e+00 -3.176798250e+00 -3.669576077e+00 -3.669576077e+00 -2.166798726e+00 -2.166798726e+00 -3.805613997e+00 -3.805613997e+00 2.60 -3.139940469e+00 -3.139940469e+00 -3.642990719e+00 -3.642990719e+00 -2.127352405e+00 -2.127352405e+00 -3.780577007e+00 -3.780577007e+00 2.62 -3.101701357e+00 -3.101701357e+00 -3.614338884e+00 -3.614338884e+00 -2.087845879e+00 -2.087845879e+00 -3.751601177e+00 -3.751601177e+00 2.64 -3.062081350e+00 -3.062081350e+00 -3.584352815e+00 -3.584352815e+00 -2.048947038e+00 -2.048947038e+00 -3.718812842e+00 -3.718812842e+00 2.66 -3.021025794e+00 -3.021025794e+00 -3.553652489e+00 -3.553652489e+00 -2.010947223e+00 -2.010947223e+00 -3.682892266e+00 -3.682892266e+00 2.68 -2.978364872e+00 -2.978364872e+00 -3.522562216e+00 -3.522562216e+00 -1.974043722e+00 -1.974043722e+00 -3.644326014e+00 -3.644326014e+00 2.70 -2.939611344e+00 -2.939611344e+00 -3.491177487e+00 -3.491177487e+00 -1.938313683e+00 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