# 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 = AlCoFe2 # 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 1.395597668e+02 1.395597668e+02 1.30 1.276942058e+02 1.276942058e+02 1.32 1.168005714e+02 1.168005714e+02 1.34 1.067917532e+02 1.067917532e+02 1.36 9.759131023e+01 9.759131023e+01 1.38 8.913275800e+01 8.913275800e+01 1.40 8.135745355e+01 8.135745355e+01 1.42 7.421208031e+01 7.421208031e+01 1.44 6.764663780e+01 6.764663779e+01 1.46 6.161360680e+01 6.161360680e+01 1.48 5.606852108e+01 5.606852108e+01 1.50 5.097115389e+01 5.097115389e+01 1.52 4.628595819e+01 4.628595819e+01 1.54 4.198129473e+01 4.198129473e+01 1.56 3.802819249e+01 3.802819249e+01 1.58 3.439944575e+01 3.439944575e+01 1.60 3.106905101e+01 3.106905101e+01 1.62 2.801230972e+01 2.801230972e+01 1.64 2.520666118e+01 2.520666118e+01 1.66 2.263192280e+01 2.263192280e+01 1.68 2.026883266e+01 2.026883266e+01 1.70 1.809880361e+01 1.809880361e+01 1.72 1.610549026e+01 1.610549026e+01 1.74 1.427462040e+01 1.427462040e+01 1.76 1.259357749e+01 1.259357749e+01 1.78 1.105100530e+01 1.105100530e+01 1.80 9.636579090e+00 9.636579090e+00 1.82 8.340898547e+00 8.340898547e+00 1.84 7.155393196e+00 7.155393196e+00 1.86 6.072182570e+00 6.072182570e+00 1.88 5.083894172e+00 5.083894172e+00 1.90 4.183467951e+00 4.183467951e+00 1.92 3.363985474e+00 3.363985474e+00 1.94 2.618569424e+00 2.618569424e+00 1.96 1.940391998e+00 1.940391998e+00 1.98 1.322800023e+00 1.322800023e+00 2.00 7.595213084e-01 7.595213084e-01 2.02 2.448828164e-01 2.448828164e-01 2.04 -2.260360141e-01 -2.260360141e-01 2.06 -6.573624868e-01 -6.573624868e-01 2.08 -1.052499559e+00 -1.052499559e+00 2.10 -1.414263163e+00 -1.414263163e+00 2.12 -1.745038476e+00 -1.745038476e+00 2.14 -2.046918374e+00 -2.046918374e+00 2.16 -2.321804715e+00 -2.321804715e+00 2.18 -2.571468465e+00 -2.571468465e+00 2.20 -2.797576186e+00 -2.797576186e+00 2.22 -3.001696680e+00 -3.001696680e+00 2.24 -3.185300606e+00 -3.185300606e+00 2.26 -3.349760343e+00 -3.349760343e+00 2.28 -3.496351628e+00 -3.496351628e+00 2.30 -3.626255843e+00 -3.626255843e+00 2.32 -3.740562174e+00 -3.740562174e+00 2.34 -3.840269861e+00 -3.840269861e+00 2.36 -3.926292225e+00 -3.926292225e+00 2.38 -3.999464386e+00 -3.999464386e+00 2.40 -4.060596773e+00 -4.060596773e+00 2.42 -4.110399216e+00 -4.110399216e+00 2.44 -4.149509922e+00 -4.149509922e+00 2.46 -4.178573053e+00 -4.178573053e+00 2.48 -4.198254194e+00 -4.198254194e+00 2.50 -4.209250534e+00 -4.209250534e+00 2.52 -4.212349697e+00 -4.212349697e+00 2.54 -4.209113284e+00 -4.209113284e+00 2.56 -4.200190417e+00 -4.200190417e+00 2.58 -4.185920912e+00 -4.185920912e+00 2.60 -4.166755441e+00 -4.166755441e+00 2.62 -4.143203561e+00 -4.143203561e+00 2.64 -4.115776470e+00 -4.115776470e+00 2.66 -4.084918054e+00 -4.084918054e+00 2.68 -4.050750951e+00 -4.050750951e+00 2.70 -4.013212406e+00 -4.013212406e+00 2.72 -3.972251979e+00 -3.972251979e+00 2.74 -3.927836230e+00 -3.927836230e+00 2.76 -3.879956491e+00 -3.879956491e+00 2.78 -3.828637838e+00 -3.828637838e+00 2.80 -3.773946133e+00 -3.773946133e+00 2.82 -3.715991080e+00 -3.715991080e+00 2.84 -3.654924533e+00 -3.654924533e+00 2.86 -3.590934199e+00 -3.590934199e+00 2.88 -3.524233976e+00 -3.524233976e+00 2.90 -3.455052954e+00 -3.455052954e+00 2.92 -3.383625505e+00 -3.383625505e+00 2.94 -3.310184723e+00 -3.310184723e+00 2.96 -3.234960567e+00 -3.234960567e+00 2.98 -3.158182609e+00 -3.158182609e+00 3.00 -3.080085684e+00 -3.080085684e+00 3.02 -3.000915459e+00 -3.000915459e+00 3.04 -2.920930729e+00 -2.920930729e+00 3.06 -2.840400317e+00 -2.840400317e+00 3.08 -2.759594522e+00 -2.759594522e+00 3.10 -2.678773698e+00 -2.678773698e+00 3.12 -2.598177755e+00 -2.598177755e+00 3.14 -2.518020364e+00 -2.518020364e+00 3.16 -2.438489686e+00 -2.438489686e+00 3.18 -2.359755333e+00 -2.359755333e+00 3.20 -2.281979036e+00 -2.281979036e+00 3.22 -2.205325765e+00 -2.205325765e+00 3.24 -2.129972173e+00 -2.129972173e+00 3.26 -2.056110249e+00 -2.056110249e+00 3.28 -1.983945334e+00 -1.983945334e+00 3.30 -1.913688952e+00 -1.913688952e+00 3.32 -1.845547909e+00 -1.845547909e+00 3.34 -1.779711668e+00 -1.779711668e+00 3.36 -1.716340181e+00 -1.716340181e+00 3.38 -1.655554043e+00 -1.655554043e+00 3.40 -1.597428230e+00 -1.597428230e+00 3.42 -1.541989973e+00 -1.541989973e+00 3.44 -1.489220535e+00 -1.489220535e+00 3.46 -1.439060204e+00 -1.439060204e+00 3.48 -1.391415425e+00 -1.391415425e+00 3.50 -1.346166993e+00 -1.346166993e+00 3.52 -1.303178316e+00 -1.303178316e+00 3.54 -1.262303038e+00 -1.262303038e+00 3.56 -1.223391531e+00 -1.223391531e+00 3.58 -1.186296068e+00 -1.186296068e+00 3.60 -1.150874643e+00 -1.150874643e+00 3.62 -1.116993559e+00 -1.116993559e+00 3.64 -1.084528967e+00 -1.084528967e+00 3.66 -1.053367566e+00 -1.053367566e+00 3.68 -1.023406675e+00 -1.023406675e+00 3.70 -9.945538558e-01 -9.945538558e-01 3.72 -9.667262482e-01 -9.667262482e-01 3.74 -9.398497266e-01 -9.398497266e-01 3.76 -9.138579773e-01 -9.138579773e-01 3.78 -8.886915550e-01 -8.886915550e-01 3.80 -8.642969647e-01 -8.642969647e-01 3.82 -8.406257956e-01 -8.406257956e-01 3.84 -8.176339228e-01 -8.176339228e-01 3.86 -7.952807860e-01 -7.952807860e-01 3.88 -7.735287472e-01 -7.735287472e-01 3.90 -7.523425297e-01 -7.523425297e-01 3.92 -7.316887339e-01 -7.316887339e-01 3.94 -7.115354521e-01 -7.115354521e-01 3.96 -6.918519348e-01 -6.918519348e-01 3.98 -6.726083818e-01 -6.726083818e-01 4.00 -6.537758158e-01 -6.537758158e-01 4.02 -6.353260695e-01 -6.353260695e-01 4.04 -6.172318996e-01 -6.172318996e-01 4.06 -5.994672388e-01 -5.994672388e-01 4.08 -5.820076018e-01 -5.820076018e-01 4.10 -5.648306378e-01 -5.648306378e-01 4.12 -5.479168942e-01 -5.479168942e-01 4.14 -5.312505908e-01 -5.312505908e-01 4.16 -5.148205977e-01 -5.148205977e-01 4.18 -4.986213460e-01 -4.986213460e-01 4.20 -4.826536355e-01 -4.826536355e-01 4.22 -4.669251872e-01 -4.669251872e-01 4.24 -4.514507893e-01 -4.514507893e-01 4.26 -4.362518992e-01 -4.362518992e-01 4.28 -4.213556222e-01 -4.213556222e-01 4.30 -4.067930663e-01 -4.067930663e-01 4.32 -3.925971673e-01 -3.925971673e-01 4.34 -3.788001860e-01 -3.788001860e-01 4.36 -3.654310362e-01 -3.654310362e-01 4.38 -3.525130407e-01 -3.525130407e-01 4.40 -3.400624906e-01 -3.400624906e-01 4.42 -3.280870784e-01 -3.280870784e-01 4.44 -3.165854677e-01 -3.165854677e-01 4.46 -3.055475621e-01 -3.055475621e-01 4.48 -2.949553222e-01 -2.949553222e-01 4.50 -2.847839560e-01 -2.847839560e-01 4.52 -2.750032991e-01 -2.750032991e-01 4.54 -2.655792287e-01 -2.655792287e-01 4.56 -2.564749920e-01 -2.564749920e-01 4.58 -2.476523812e-01 -2.476523812e-01 4.60 -2.390727235e-01 -2.390727235e-01 4.62 -2.306975873e-01 -2.306975873e-01 4.64 -2.224895841e-01 -2.224895841e-01 4.66 -2.144130948e-01 -2.144130948e-01 4.68 -2.064344623e-01 -2.064344623e-01 4.70 -1.985224934e-01 -1.985224934e-01 4.72 -1.906489737e-01 -1.906489737e-01 4.74 -1.827892244e-01 -1.827892244e-01 4.76 -1.749227168e-01 -1.749227168e-01 4.78 -1.670337453e-01 -1.670337453e-01 4.80 -1.591121328e-01 -1.591121328e-01 4.82 -1.511539583e-01 -1.511539583e-01 4.84 -1.431621537e-01 -1.431621537e-01 4.86 -1.351470102e-01 -1.351470102e-01 4.88 -1.271264039e-01 -1.271264039e-01 4.90 -1.191256909e-01 -1.191256909e-01 4.92 -1.111771866e-01 -1.111771866e-01 4.94 -1.033191878e-01 -1.033191878e-01 4.96 -9.559454491e-02 -9.559454491e-02 4.98 -8.804884532e-02 -8.804884532e-02 5.00 -8.072832937e-02 -8.072832937e-02 5.02 -7.367770181e-02 -7.367770181e-02 5.04 -6.693802517e-02 -6.693802517e-02 5.06 -6.054487576e-02 -6.054487576e-02 5.08 -5.452691079e-02 -5.452691079e-02 5.10 -4.890494232e-02 -4.890494232e-02 5.12 -4.369155149e-02 -4.369155149e-02 5.14 -3.889121601e-02 -3.889121601e-02 5.16 -3.450087517e-02 -3.450087517e-02 5.18 -3.051082680e-02 -3.051082680e-02 5.20 -2.690583238e-02 -2.690583238e-02 5.22 -2.366631859e-02 -2.366631859e-02 5.24 -2.076958251e-02 -2.076958251e-02 5.26 -1.819091397e-02 -1.819091397e-02 5.28 -1.590446596e-02 -1.590446596e-02 5.30 -1.388370299e-02 -1.388370299e-02 5.32 -1.210363023e-02 -1.210363023e-02 5.34 -1.054019081e-02 -1.054019081e-02 5.36 -9.170490360e-03 -9.170490360e-03 5.38 -7.973106612e-03 -7.973106612e-03 5.40 -6.928267998e-03 -6.928267998e-03 5.42 -6.017930834e-03 -6.017930834e-03 5.44 -5.225781205e-03 -5.225781205e-03 5.46 -4.537183362e-03 -4.537183362e-03 5.48 -3.939092251e-03 -3.939092251e-03 5.50 -3.419943944e-03 -3.419943944e-03 5.52 -2.969534405e-03 -2.969534405e-03 5.54 -2.578894220e-03 -2.578894220e-03 5.56 -2.240164685e-03 -2.240164685e-03 5.58 -1.946478894e-03 -1.946478894e-03 5.60 -1.691850106e-03 -1.691850106e-03 5.62 -1.471068696e-03 -1.471068696e-03 5.64 -1.279608266e-03 -1.279608266e-03 5.66 -1.113540980e-03 -1.113540980e-03 5.68 -9.694618451e-04 -9.694618451e-04 5.70 -8.444214663e-04 -8.444214663e-04 5.72 -7.358666484e-04 -7.358666484e-04 5.74 -6.415881705e-04 -6.415881705e-04 5.76 -5.596750426e-04 -5.596750426e-04 5.78 -4.884745643e-04 -4.884745643e-04 5.80 -4.265575403e-04 -4.265575403e-04 5.82 -3.726880514e-04 -3.726880514e-04 5.84 -3.257972303e-04 -3.257972303e-04 5.86 -2.849605442e-04 -2.849605442e-04 5.88 -2.493781382e-04 -2.493781382e-04 5.90 -2.183578425e-04 -2.183578425e-04 5.92 -1.913004928e-04 -1.913004928e-04 5.94 -1.676872566e-04 -1.676872566e-04 5.96 -1.470686943e-04 -1.470686943e-04 5.98 -1.290553220e-04 -1.290553220e-04 6.00 -1.133094687e-04 -1.133094687e-04