# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Cu # implementation = 2025--Sharifi-H--Cr-Ni-Cu--LAMMPS--ipr1 # composition = CrCu2Ni # 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 2025-07-01 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 6.134483370e+02 6.134483370e+02 1.00 5.778875304e+02 5.778875304e+02 1.02 5.430426503e+02 5.430426503e+02 1.04 5.089335178e+02 5.089335178e+02 1.06 4.756445244e+02 4.756445244e+02 1.08 4.432920992e+02 4.432920992e+02 1.10 4.119856912e+02 4.119856912e+02 1.12 3.817906384e+02 3.817906384e+02 1.14 3.528506881e+02 3.528506881e+02 1.16 3.252832297e+02 3.252832297e+02 1.18 2.991693185e+02 2.991693185e+02 1.20 2.745576231e+02 2.745576231e+02 1.22 2.514686654e+02 2.514686654e+02 1.24 2.298990728e+02 2.298990728e+02 1.26 2.098256796e+02 2.098256796e+02 1.28 1.912093542e+02 1.912093542e+02 1.30 1.739984773e+02 1.739984773e+02 1.32 1.581320450e+02 1.581320450e+02 1.34 1.435423828e+02 1.435423828e+02 1.36 1.301574877e+02 1.301574877e+02 1.38 1.179029799e+02 1.179029799e+02 1.40 1.067037195e+02 1.067037195e+02 1.42 9.648512516e+01 9.648512516e+01 1.44 8.717422063e+01 8.717422063e+01 1.46 7.870044305e+01 7.870044305e+01 1.48 7.099624488e+01 7.099624488e+01 1.50 6.399751972e+01 6.399751972e+01 1.52 5.764388096e+01 5.764388096e+01 1.54 5.187881644e+01 5.187881644e+01 1.56 4.664972516e+01 4.664972516e+01 1.58 4.190790692e+01 4.190790692e+01 1.60 3.760849939e+01 3.760849939e+01 1.62 3.371034457e+01 3.371034457e+01 1.64 3.017581990e+01 3.017581990e+01 1.66 2.697064754e+01 2.697064754e+01 1.68 2.406368944e+01 2.406368944e+01 1.70 2.142673404e+01 2.142673404e+01 1.72 1.903428059e+01 1.903428059e+01 1.74 1.686332620e+01 1.686332620e+01 1.76 1.489315798e+01 1.489315798e+01 1.78 1.310515700e+01 1.310515700e+01 1.80 1.148262729e+01 1.148262729e+01 1.82 1.001055789e+01 1.001055789e+01 1.84 8.675354318e+00 8.675354318e+00 1.86 7.464638283e+00 7.464638283e+00 1.88 6.367130141e+00 6.367130141e+00 1.90 5.372553635e+00 5.372553635e+00 1.92 4.471549531e+00 4.471549531e+00 1.94 3.655597103e+00 3.655597103e+00 1.96 2.916942835e+00 2.916942835e+00 1.98 2.248535252e+00 2.248535252e+00 2.00 1.643965463e+00 1.643965463e+00 2.02 1.097412867e+00 1.097412867e+00 2.04 6.035949832e-01 6.035949832e-01 2.06 1.577160213e-01 1.577160213e-01 2.08 -2.445834271e-01 -2.445834271e-01 2.10 -6.072665156e-01 -6.072665156e-01 2.12 -9.339356573e-01 -9.339356573e-01 2.14 -1.227864942e+00 -1.227864942e+00 2.16 -1.492029700e+00 -1.492029700e+00 2.18 -1.729133399e+00 -1.729133399e+00 2.20 -1.941632210e+00 -1.941632210e+00 2.22 -2.131757390e+00 -2.131757390e+00 2.24 -2.301539433e+00 -2.301539433e+00 2.26 -2.452831027e+00 -2.452831027e+00 2.28 -2.587314309e+00 -2.587314309e+00 2.30 -2.706444842e+00 -2.706444842e+00 2.32 -2.811383175e+00 -2.811383175e+00 2.34 -2.903181963e+00 -2.903181963e+00 2.36 -2.982821384e+00 -2.982821384e+00 2.38 -3.051214215e+00 -3.051214215e+00 2.40 -3.109210530e+00 -3.109210530e+00 2.42 -3.157602067e+00 -3.157602067e+00 2.44 -3.197126279e+00 -3.197126279e+00 2.46 -3.228470085e+00 -3.228470085e+00 2.48 -3.252273363e+00 -3.252273363e+00 2.50 -3.269132658e+00 -3.269132658e+00 2.52 -3.279614291e+00 -3.279614291e+00 2.54 -3.284254653e+00 -3.284254653e+00 2.56 -3.283551210e+00 -3.283551210e+00 2.58 -3.277964894e+00 -3.277964894e+00 2.60 -3.267922810e+00 -3.267922810e+00 2.62 -3.253820731e+00 -3.253820731e+00 2.64 -3.236025405e+00 -3.236025405e+00 2.66 -3.214876688e+00 -3.214876688e+00 2.68 -3.190689511e+00 -3.190689511e+00 2.70 -3.163755706e+00 -3.163755706e+00 2.72 -3.134345682e+00 -3.134345682e+00 2.74 -3.102709986e+00 -3.102709986e+00 2.76 -3.069080743e+00 -3.069080743e+00 2.78 -3.033672985e+00 -3.033672985e+00 2.80 -2.996685885e+00 -2.996685885e+00 2.82 -2.958303894e+00 -2.958303894e+00 2.84 -2.918697801e+00 -2.918697801e+00 2.86 -2.878025704e+00 -2.878025704e+00 2.88 -2.836433921e+00 -2.836433921e+00 2.90 -2.794057823e+00 -2.794057823e+00 2.92 -2.751022611e+00 -2.751022611e+00 2.94 -2.707444039e+00 -2.707444039e+00 2.96 -2.663429076e+00 -2.663429076e+00 2.98 -2.619076524e+00 -2.619076524e+00 3.00 -2.574477598e+00 -2.574477598e+00 3.02 -2.529716447e+00 -2.529716447e+00 3.04 -2.484870656e+00 -2.484870656e+00 3.06 -2.440011701e+00 -2.440011701e+00 3.08 -2.395205370e+00 -2.395205370e+00 3.10 -2.350512165e+00 -2.350512165e+00 3.12 -2.305987660e+00 -2.305987660e+00 3.14 -2.261682848e+00 -2.261682848e+00 3.16 -2.217644455e+00 -2.217644455e+00 3.18 -2.173915231e+00 -2.173915231e+00 3.20 -2.130534227e+00 -2.130534227e+00 3.22 -2.087537050e+00 -2.087537050e+00 3.24 -2.044956094e+00 -2.044956094e+00 3.26 -2.002820764e+00 -2.002820764e+00 3.28 -1.961157680e+00 -1.961157680e+00 3.30 -1.919990868e+00 -1.919990868e+00 3.32 -1.879341934e+00 -1.879341934e+00 3.34 -1.839230232e+00 -1.839230232e+00 3.36 -1.799673016e+00 -1.799673016e+00 3.38 -1.760685584e+00 -1.760685584e+00 3.40 -1.722281411e+00 -1.722281411e+00 3.42 -1.684472272e+00 -1.684472272e+00 3.44 -1.647268356e+00 -1.647268356e+00 3.46 -1.610678377e+00 -1.610678377e+00 3.48 -1.574709670e+00 -1.574709670e+00 3.50 -1.539368285e+00 -1.539368285e+00 3.52 -1.504659072e+00 -1.504659072e+00 3.54 -1.470585762e+00 -1.470585762e+00 3.56 -1.437151040e+00 -1.437151040e+00 3.58 -1.404356614e+00 -1.404356614e+00 3.60 -1.372203273e+00 -1.372203273e+00 3.62 -1.340690953e+00 -1.340690953e+00 3.64 -1.309818783e+00 -1.309818783e+00 3.66 -1.279585134e+00 -1.279585134e+00 3.68 -1.249987666e+00 -1.249987666e+00 3.70 -1.221023363e+00 -1.221023363e+00 3.72 -1.192688571e+00 -1.192688571e+00 3.74 -1.164979027e+00 -1.164979027e+00 3.76 -1.137889884e+00 -1.137889884e+00 3.78 -1.111415739e+00 -1.111415739e+00 3.80 -1.085550643e+00 -1.085550643e+00 3.82 -1.060288123e+00 -1.060288123e+00 3.84 -1.035621190e+00 -1.035621190e+00 3.86 -1.011542342e+00 -1.011542342e+00 3.88 -9.880435756e-01 -9.880435756e-01 3.90 -9.651163752e-01 -9.651163752e-01 3.92 -9.427517162e-01 -9.427517162e-01 3.94 -9.209400551e-01 -9.209400551e-01 3.96 -8.996713195e-01 -8.996713195e-01 3.98 -8.789348962e-01 -8.789348962e-01 4.00 -8.587196170e-01 -8.587196170e-01 4.02 -8.390137438e-01 -8.390137438e-01 4.04 -8.198049534e-01 -8.198049534e-01 4.06 -8.010803248e-01 -8.010803248e-01 4.08 -7.828263280e-01 -7.828263280e-01 4.10 -7.650288183e-01 -7.650288183e-01 4.12 -7.476730375e-01 -7.476730375e-01 4.14 -7.307436237e-01 -7.307436237e-01 4.16 -7.142246331e-01 -7.142246331e-01 4.18 -6.980995769e-01 -6.980995769e-01 4.20 -6.823514745e-01 -6.823514745e-01 4.22 -6.669629281e-01 -6.669629281e-01 4.24 -6.519162189e-01 -6.519162189e-01 4.26 -6.371735073e-01 -6.371735073e-01 4.28 -6.222719180e-01 -6.222719180e-01 4.30 -6.047269918e-01 -6.047269918e-01 4.32 -5.729570361e-01 -5.729570361e-01 4.34 -5.490181274e-01 -5.490181274e-01 4.36 -5.343065876e-01 -5.343065876e-01 4.38 -5.198930421e-01 -5.198930421e-01 4.40 -5.057836972e-01 -5.057836972e-01 4.42 -4.919829310e-01 -4.919829310e-01 4.44 -4.784933335e-01 -4.784933335e-01 4.46 -4.653158242e-01 -4.653158242e-01 4.48 -4.524498228e-01 -4.524498228e-01 4.50 -4.398934534e-01 -4.398934534e-01 4.52 -4.276437613e-01 -4.276437613e-01 4.54 -4.156969270e-01 -4.156969270e-01 4.56 -4.040484652e-01 -4.040484652e-01 4.58 -3.926933995e-01 -3.926933995e-01 4.60 -3.816264110e-01 -3.816264110e-01 4.62 -3.708419574e-01 -3.708419574e-01 4.64 -3.603343656e-01 -3.603343656e-01 4.66 -3.500979010e-01 -3.500979010e-01 4.68 -3.401268170e-01 -3.401268170e-01 4.70 -3.304153890e-01 -3.304153890e-01 4.72 -3.209579379e-01 -3.209579379e-01 4.74 -3.117488442e-01 -3.117488442e-01 4.76 -3.027825578e-01 -3.027825578e-01 4.78 -2.940536040e-01 -2.940536040e-01 4.80 -2.855565864e-01 -2.855565864e-01 4.82 -2.772861899e-01 -2.772861899e-01 4.84 -2.692371819e-01 -2.692371819e-01 4.86 -2.614044134e-01 -2.614044134e-01 4.88 -2.537828197e-01 -2.537828197e-01 4.90 -2.463674209e-01 -2.463674209e-01 4.92 -2.385418197e-01 -2.385418197e-01 4.94 -2.226906054e-01 -2.226906054e-01 4.96 -1.801566158e-01 -1.801566158e-01 4.98 -9.222916868e-02 -9.222916868e-02 5.00 -4.379939860e-23 -4.376963289e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00