# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = Cr2MnNi # 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 2024-11-27 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 4.985451523e+03 4.985451523e+03 1.02 4.576242956e+03 4.576242956e+03 1.04 4.201360956e+03 4.201360956e+03 1.06 3.857337544e+03 3.857337544e+03 1.08 3.541035024e+03 3.541035024e+03 1.10 3.249991745e+03 3.249991745e+03 1.12 2.981969110e+03 2.981969110e+03 1.14 2.734809194e+03 2.734809194e+03 1.16 2.506625748e+03 2.506625748e+03 1.18 2.295663559e+03 2.295663559e+03 1.20 2.100320396e+03 2.100320396e+03 1.22 1.919228467e+03 1.919228467e+03 1.24 1.751266641e+03 1.751266641e+03 1.26 1.595407085e+03 1.595407085e+03 1.28 1.450695295e+03 1.450695295e+03 1.30 1.316195271e+03 1.316195271e+03 1.32 1.191152353e+03 1.191152353e+03 1.34 1.074912127e+03 1.074912127e+03 1.36 9.667625704e+02 9.667625704e+02 1.38 8.660843564e+02 8.660843564e+02 1.40 7.723262984e+02 7.723262984e+02 1.42 6.850000001e+02 6.850000001e+02 1.44 6.036831193e+02 6.036831193e+02 1.46 5.279397558e+02 5.279397558e+02 1.48 4.573332853e+02 4.573332853e+02 1.50 3.915088558e+02 3.915088558e+02 1.52 3.301158129e+02 3.301158129e+02 1.54 2.733670929e+02 2.733670929e+02 1.56 2.233068278e+02 2.233068278e+02 1.58 1.797491938e+02 1.797491938e+02 1.60 1.445509719e+02 1.445509719e+02 1.62 1.163976154e+02 1.163976154e+02 1.64 9.381060415e+01 9.381060415e+01 1.66 7.564632986e+01 7.564632986e+01 1.68 6.101010261e+01 6.101010261e+01 1.70 4.918799164e+01 4.918799164e+01 1.72 3.961124189e+01 3.961124189e+01 1.74 3.182725802e+01 3.182725802e+01 1.76 2.548059256e+01 2.548059256e+01 1.78 2.029855213e+01 2.029855213e+01 1.80 1.606543633e+01 1.606543633e+01 1.82 1.260872115e+01 1.260872115e+01 1.84 9.786676107e+00 9.786676107e+00 1.86 7.482132518e+00 7.482132518e+00 1.88 5.600411004e+00 5.600411004e+00 1.90 4.064748038e+00 4.064748038e+00 1.92 2.812884809e+00 2.812884809e+00 1.94 1.792997911e+00 1.792997911e+00 1.96 9.604377576e-01 9.604377576e-01 1.98 2.759863319e-01 2.759863319e-01 2.00 -2.942952281e-01 -2.942952281e-01 2.02 -7.778414777e-01 -7.778414777e-01 2.04 -1.190478845e+00 -1.190478845e+00 2.06 -1.543299235e+00 -1.543299235e+00 2.08 -1.845748289e+00 -1.845748289e+00 2.10 -2.106086643e+00 -2.106086643e+00 2.12 -2.331353564e+00 -2.331353564e+00 2.14 -2.526815399e+00 -2.526815399e+00 2.16 -2.696270815e+00 -2.696270815e+00 2.18 -2.842829694e+00 -2.842829694e+00 2.20 -2.968875067e+00 -2.968875067e+00 2.22 -3.076126409e+00 -3.076126409e+00 2.24 -3.166257162e+00 -3.166257162e+00 2.26 -3.241957553e+00 -3.241957553e+00 2.28 -3.306175417e+00 -3.306175417e+00 2.30 -3.361709717e+00 -3.361709717e+00 2.32 -3.410901036e+00 -3.410901036e+00 2.34 -3.455354387e+00 -3.455354387e+00 2.36 -3.496014011e+00 -3.496014011e+00 2.38 -3.532727093e+00 -3.532727093e+00 2.40 -3.564897995e+00 -3.564897995e+00 2.42 -3.591836702e+00 -3.591836702e+00 2.44 -3.612860506e+00 -3.612860506e+00 2.46 -3.627231533e+00 -3.627231533e+00 2.48 -3.634501850e+00 -3.634501850e+00 2.50 -3.634521501e+00 -3.634521501e+00 2.52 -3.627107951e+00 -3.627107951e+00 2.54 -3.612070433e+00 -3.612070433e+00 2.56 -3.589285217e+00 -3.589285217e+00 2.58 -3.559056263e+00 -3.559056263e+00 2.60 -3.521901962e+00 -3.521901962e+00 2.62 -3.478522026e+00 -3.478522026e+00 2.64 -3.429654294e+00 -3.429654294e+00 2.66 -3.376061866e+00 -3.376061866e+00 2.68 -3.318496738e+00 -3.318496738e+00 2.70 -3.257620017e+00 -3.257620017e+00 2.72 -3.194082994e+00 -3.194082994e+00 2.74 -3.128503507e+00 -3.128503507e+00 2.76 -3.061430936e+00 -3.061430936e+00 2.78 -2.993394944e+00 -2.993394944e+00 2.80 -2.924950468e+00 -2.924950468e+00 2.82 -2.856617635e+00 -2.856617635e+00 2.84 -2.788778131e+00 -2.788778131e+00 2.86 -2.721780493e+00 -2.721780493e+00 2.88 -2.655923899e+00 -2.655923899e+00 2.90 -2.591456357e+00 -2.591456357e+00 2.92 -2.528461645e+00 -2.528461645e+00 2.94 -2.466933777e+00 -2.466933777e+00 2.96 -2.406846616e+00 -2.406846616e+00 2.98 -2.348094190e+00 -2.348094190e+00 3.00 -2.290555826e+00 -2.290555826e+00 3.02 -2.234183464e+00 -2.234183464e+00 3.04 -2.178935605e+00 -2.178935605e+00 3.06 -2.124772710e+00 -2.124772710e+00 3.08 -2.071652808e+00 -2.071652808e+00 3.10 -2.019481389e+00 -2.019481389e+00 3.12 -1.968100215e+00 -1.968100215e+00 3.14 -1.917344251e+00 -1.917344251e+00 3.16 -1.867044224e+00 -1.867044224e+00 3.18 -1.817081604e+00 -1.817081604e+00 3.20 -1.767500854e+00 -1.767500854e+00 3.22 -1.718372348e+00 -1.718372348e+00 3.24 -1.669774752e+00 -1.669774752e+00 3.26 -1.621828793e+00 -1.621828793e+00 3.28 -1.574701347e+00 -1.574701347e+00 3.30 -1.528591780e+00 -1.528591780e+00 3.32 -1.483642427e+00 -1.483642427e+00 3.34 -1.439970385e+00 -1.439970385e+00 3.36 -1.397614146e+00 -1.397614146e+00 3.38 -1.356496095e+00 -1.356496095e+00 3.40 -1.316491682e+00 -1.316491682e+00 3.42 -1.277498372e+00 -1.277498372e+00 3.44 -1.239458847e+00 -1.239458847e+00 3.46 -1.202323924e+00 -1.202323924e+00 3.48 -1.166023489e+00 -1.166023489e+00 3.50 -1.130498172e+00 -1.130498172e+00 3.52 -1.095694544e+00 -1.095694544e+00 3.54 -1.061558870e+00 -1.061558870e+00 3.56 -1.028037011e+00 -1.028037011e+00 3.58 -9.950743609e-01 -9.950743609e-01 3.60 -9.626190879e-01 -9.626190879e-01 3.62 -9.306663246e-01 -9.306663246e-01 3.64 -8.992462393e-01 -8.992462393e-01 3.66 -8.683890654e-01 -8.683890654e-01 3.68 -8.381241010e-01 -8.381241010e-01 3.70 -8.084795759e-01 -8.084795759e-01 3.72 -7.794834975e-01 -7.794834975e-01 3.74 -7.511660119e-01 -7.511660119e-01 3.76 -7.235565616e-01 -7.235565616e-01 3.78 -6.966828706e-01 -6.966828706e-01 3.80 -6.705690199e-01 -6.705690199e-01 3.82 -6.452202076e-01 -6.452202076e-01 3.84 -6.206295867e-01 -6.206295867e-01 3.86 -5.967880175e-01 -5.967880175e-01 3.88 -5.736839584e-01 -5.736839584e-01 3.90 -5.513031486e-01 -5.513031486e-01 3.92 -5.296258303e-01 -5.296258303e-01 3.94 -5.086367368e-01 -5.086367368e-01 3.96 -4.883427582e-01 -4.883427582e-01 3.98 -4.687515958e-01 -4.687515958e-01 4.00 -4.498672766e-01 -4.498672766e-01 4.02 -4.316952591e-01 -4.316952591e-01 4.04 -4.142607428e-01 -4.142607428e-01 4.06 -3.975927010e-01 -3.975927010e-01 4.08 -3.817191730e-01 -3.817191730e-01 4.10 -3.666639567e-01 -3.666639567e-01 4.12 -3.524187105e-01 -3.524187105e-01 4.14 -3.389605656e-01 -3.389605656e-01 4.16 -3.262653243e-01 -3.262653243e-01 4.18 -3.143162156e-01 -3.143162156e-01 4.20 -3.030975841e-01 -3.030975841e-01 4.22 -2.925927980e-01 -2.925927980e-01 4.24 -2.827794829e-01 -2.827794829e-01 4.26 -2.736399184e-01 -2.736399184e-01 4.28 -2.651576364e-01 -2.651576364e-01 4.30 -2.573178868e-01 -2.573178868e-01 4.32 -2.501063804e-01 -2.501063804e-01 4.34 -2.435067721e-01 -2.435067721e-01 4.36 -2.374397477e-01 -2.374397477e-01 4.38 -2.318827686e-01 -2.318827686e-01 4.40 -2.268569743e-01 -2.268569743e-01 4.42 -2.223519678e-01 -2.223519678e-01 4.44 -2.183173419e-01 -2.183173419e-01 4.46 -2.146870882e-01 -2.146870882e-01 4.48 -2.113998959e-01 -2.113998959e-01 4.50 -2.084168893e-01 -2.084168893e-01 4.52 -2.057598893e-01 -2.057598893e-01 4.54 -2.033889386e-01 -2.033889386e-01 4.56 -2.011621795e-01 -2.011621795e-01 4.58 -1.988943938e-01 -1.988943938e-01 4.60 -1.964539151e-01 -1.964539151e-01 4.62 -1.937582552e-01 -1.937582552e-01 4.64 -1.907760713e-01 -1.907760713e-01 4.66 -1.875518766e-01 -1.875518766e-01 4.68 -1.842084904e-01 -1.842084904e-01 4.70 -1.809335189e-01 -1.809335189e-01 4.72 -1.779153806e-01 -1.779153806e-01 4.74 -1.752678089e-01 -1.752678089e-01 4.76 -1.731013741e-01 -1.731013741e-01 4.78 -1.713489537e-01 -1.713489537e-01 4.80 -1.698088648e-01 -1.698088648e-01 4.82 -1.683012152e-01 -1.683012152e-01 4.84 -1.666903116e-01 -1.666903116e-01 4.86 -1.648885625e-01 -1.648885625e-01 4.88 -1.628406799e-01 -1.628406799e-01 4.90 -1.605165710e-01 -1.605165710e-01 4.92 -1.579121827e-01 -1.579121827e-01 4.94 -1.550286042e-01 -1.550286042e-01 4.96 -1.518696128e-01 -1.518696128e-01 4.98 -1.484405889e-01 -1.484405889e-01 5.00 -1.447475150e-01 -1.447475150e-01 5.02 -1.407960219e-01 -1.407960219e-01 5.04 -1.365904411e-01 -1.365904411e-01 5.06 -1.321151679e-01 -1.321151679e-01 5.08 -1.273763761e-01 -1.273763761e-01 5.10 -1.224018490e-01 -1.224018490e-01 5.12 -1.172091786e-01 -1.172091786e-01 5.14 -1.118060117e-01 -1.118060117e-01 5.16 -1.061901867e-01 -1.061901867e-01 5.18 -1.003499194e-01 -1.003499194e-01 5.20 -9.426432302e-02 -9.426432302e-02 5.22 -8.790475181e-02 -8.790475181e-02 5.24 -8.123776026e-02 -8.123776026e-02 5.26 -7.423085651e-02 -7.423085651e-02 5.28 -6.686256726e-02 -6.686256726e-02 5.30 -5.913825863e-02 -5.913825863e-02 5.32 -5.111192732e-02 -5.111192732e-02 5.34 -4.291077695e-02 -4.291077695e-02 5.36 -3.475327896e-02 -3.475327896e-02 5.38 -2.694155009e-02 -2.694155009e-02 5.40 -1.982249866e-02 -1.982249866e-02 5.42 -1.371818985e-02 -1.371818985e-02 5.44 -8.841984162e-03 -8.841984162e-03 5.46 -5.244365841e-03 -5.244365841e-03 5.48 -2.814517443e-03 -2.814517443e-03 5.50 -1.330633165e-03 -1.330633165e-03 5.52 -5.287885399e-04 -5.287885399e-04 5.54 -1.612061398e-04 -1.612061398e-04 5.56 -3.055824704e-05 -3.055824704e-05 5.58 -1.829450497e-06 -1.829450497e-06 5.60 -1.028733180e-11 -1.038759522e-11 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