# 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 = CrMnNi2 # 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 6.100191755e+03 6.100191755e+03 1.02 5.592229578e+03 5.592229578e+03 1.04 5.127118192e+03 5.127118192e+03 1.06 4.700554131e+03 4.700554131e+03 1.08 4.308601885e+03 4.308601885e+03 1.10 3.948146752e+03 3.948146752e+03 1.12 3.616351216e+03 3.616351216e+03 1.14 3.310560120e+03 3.310560120e+03 1.16 3.028489883e+03 3.028489883e+03 1.18 2.767909440e+03 2.767909440e+03 1.20 2.526779027e+03 2.526779027e+03 1.22 2.303384726e+03 2.303384726e+03 1.24 2.096300209e+03 2.096300209e+03 1.26 1.904231897e+03 1.904231897e+03 1.28 1.725990143e+03 1.725990143e+03 1.30 1.560398054e+03 1.560398054e+03 1.32 1.406507624e+03 1.406507624e+03 1.34 1.263462723e+03 1.263462723e+03 1.36 1.130366296e+03 1.130366296e+03 1.38 1.006463921e+03 1.006463921e+03 1.40 8.910741317e+02 8.910741317e+02 1.42 7.835974819e+02 7.835974819e+02 1.44 6.835159546e+02 6.835159546e+02 1.46 5.902773457e+02 5.902773457e+02 1.48 5.033404392e+02 5.033404392e+02 1.50 4.222672217e+02 4.222672217e+02 1.52 3.466234883e+02 3.466234883e+02 1.54 2.776030990e+02 2.776030990e+02 1.56 2.212486326e+02 2.212486326e+02 1.58 1.765552794e+02 1.765552794e+02 1.60 1.410656125e+02 1.410656125e+02 1.62 1.128112681e+02 1.128112681e+02 1.64 9.025198068e+01 9.025198068e+01 1.66 7.220176989e+01 7.220176989e+01 1.68 5.773338783e+01 5.773338783e+01 1.70 4.610897442e+01 4.610897442e+01 1.72 3.674305114e+01 3.674305114e+01 1.74 2.917204821e+01 2.917204821e+01 1.76 2.303431086e+01 2.303431086e+01 1.78 1.805417753e+01 1.805417753e+01 1.80 1.401482563e+01 1.401482563e+01 1.82 1.074311020e+01 1.074311020e+01 1.84 8.097087256e+00 8.097087256e+00 1.86 5.959835668e+00 5.959835668e+00 1.88 4.236417217e+00 4.236417217e+00 1.90 2.849360544e+00 2.849360544e+00 1.92 1.735148733e+00 1.735148733e+00 1.94 8.402243627e-01 8.402243627e-01 1.96 1.186236962e-01 1.186236962e-01 1.98 -4.701551501e-01 -4.701551501e-01 2.00 -9.609558975e-01 -9.609558975e-01 2.02 -1.380175745e+00 -1.380175745e+00 2.04 -1.741264299e+00 -1.741264299e+00 2.06 -2.053079897e+00 -2.053079897e+00 2.08 -2.323555087e+00 -2.323555087e+00 2.10 -2.559570440e+00 -2.559570440e+00 2.12 -2.766437381e+00 -2.766437381e+00 2.14 -2.947334421e+00 -2.947334421e+00 2.16 -3.103765044e+00 -3.103765044e+00 2.18 -3.236844079e+00 -3.236844079e+00 2.20 -3.348369016e+00 -3.348369016e+00 2.22 -3.440129294e+00 -3.440129294e+00 2.24 -3.513924299e+00 -3.513924299e+00 2.26 -3.572546128e+00 -3.572546128e+00 2.28 -3.619043042e+00 -3.619043042e+00 2.30 -3.656421994e+00 -3.656421994e+00 2.32 -3.687300889e+00 -3.687300889e+00 2.34 -3.713603638e+00 -3.713603638e+00 2.36 -3.736604841e+00 -3.736604841e+00 2.38 -3.756320493e+00 -3.756320493e+00 2.40 -3.772350953e+00 -3.772350953e+00 2.42 -3.784239563e+00 -3.784239563e+00 2.44 -3.791561379e+00 -3.791561379e+00 2.46 -3.793862935e+00 -3.793862935e+00 2.48 -3.790954042e+00 -3.790954042e+00 2.50 -3.782654819e+00 -3.782654819e+00 2.52 -3.768636150e+00 -3.768636150e+00 2.54 -3.748566669e+00 -3.748566669e+00 2.56 -3.722193763e+00 -3.722193763e+00 2.58 -3.689803421e+00 -3.689803421e+00 2.60 -3.651920585e+00 -3.651920585e+00 2.62 -3.609020141e+00 -3.609020141e+00 2.64 -3.561560419e+00 -3.561560419e+00 2.66 -3.510080624e+00 -3.510080624e+00 2.68 -3.455175572e+00 -3.455175572e+00 2.70 -3.397407729e+00 -3.397407729e+00 2.72 -3.337356361e+00 -3.337356361e+00 2.74 -3.275537090e+00 -3.275537090e+00 2.76 -3.212336554e+00 -3.212336554e+00 2.78 -3.148107686e+00 -3.148107686e+00 2.80 -3.083273666e+00 -3.083273666e+00 2.82 -3.018256911e+00 -3.018256911e+00 2.84 -2.953364242e+00 -2.953364242e+00 2.86 -2.888874052e+00 -2.888874052e+00 2.88 -2.825016310e+00 -2.825016310e+00 2.90 -2.761978272e+00 -2.761978272e+00 2.92 -2.699867120e+00 -2.699867120e+00 2.94 -2.638757533e+00 -2.638757533e+00 2.96 -2.578740818e+00 -2.578740818e+00 2.98 -2.519871256e+00 -2.519871256e+00 3.00 -2.462119009e+00 -2.462119009e+00 3.02 -2.405461588e+00 -2.405461588e+00 3.04 -2.349885227e+00 -2.349885227e+00 3.06 -2.295381649e+00 -2.295381649e+00 3.08 -2.241937831e+00 -2.241937831e+00 3.10 -2.189461702e+00 -2.189461702e+00 3.12 -2.137776270e+00 -2.137776270e+00 3.14 -2.086697254e+00 -2.086697254e+00 3.16 -2.036036560e+00 -2.036036560e+00 3.18 -1.985628884e+00 -1.985628884e+00 3.20 -1.935387181e+00 -1.935387181e+00 3.22 -1.885234630e+00 -1.885234630e+00 3.24 -1.835113246e+00 -1.835113246e+00 3.26 -1.785040590e+00 -1.785040590e+00 3.28 -1.735097648e+00 -1.735097648e+00 3.30 -1.685446914e+00 -1.685446914e+00 3.32 -1.636307542e+00 -1.636307542e+00 3.34 -1.587876428e+00 -1.587876428e+00 3.36 -1.540215165e+00 -1.540215165e+00 3.38 -1.493236982e+00 -1.493236982e+00 3.40 -1.446795897e+00 -1.446795897e+00 3.42 -1.400774837e+00 -1.400774837e+00 3.44 -1.355119945e+00 -1.355119945e+00 3.46 -1.309867634e+00 -1.309867634e+00 3.48 -1.265095553e+00 -1.265095553e+00 3.50 -1.220888759e+00 -1.220888759e+00 3.52 -1.177335612e+00 -1.177335612e+00 3.54 -1.134524186e+00 -1.134524186e+00 3.56 -1.092542135e+00 -1.092542135e+00 3.58 -1.051476476e+00 -1.051476476e+00 3.60 -1.011413728e+00 -1.011413728e+00 3.62 -9.724426465e-01 -9.724426465e-01 3.64 -9.346532349e-01 -9.346532349e-01 3.66 -8.981341096e-01 -8.981341096e-01 3.68 -8.629677770e-01 -8.629677770e-01 3.70 -8.292241426e-01 -8.292241426e-01 3.72 -7.969692231e-01 -7.969692231e-01 3.74 -7.662663713e-01 -7.662663713e-01 3.76 -7.371759291e-01 -7.371759291e-01 3.78 -7.097549757e-01 -7.097549757e-01 3.80 -6.840475605e-01 -6.840475605e-01 3.82 -6.600011620e-01 -6.600011620e-01 3.84 -6.375069720e-01 -6.375069720e-01 3.86 -6.164506949e-01 -6.164506949e-01 3.88 -5.967129010e-01 -5.967129010e-01 3.90 -5.781694646e-01 -5.781694646e-01 3.92 -5.606922842e-01 -5.606922842e-01 3.94 -5.441681256e-01 -5.441681256e-01 3.96 -5.285064326e-01 -5.285064326e-01 3.98 -5.136110609e-01 -5.136110609e-01 4.00 -4.993812045e-01 -4.993812045e-01 4.02 -4.857187516e-01 -4.857187516e-01 4.04 -4.725608316e-01 -4.725608316e-01 4.06 -4.598571765e-01 -4.598571765e-01 4.08 -4.475573482e-01 -4.475573482e-01 4.10 -4.356063498e-01 -4.356063498e-01 4.12 -4.239537012e-01 -4.239537012e-01 4.14 -4.125505106e-01 -4.125505106e-01 4.16 -4.013524372e-01 -4.013524372e-01 4.18 -3.903594334e-01 -3.903594334e-01 4.20 -3.795977235e-01 -3.795977235e-01 4.22 -3.690939445e-01 -3.690939445e-01 4.24 -3.588748338e-01 -3.588748338e-01 4.26 -3.489555209e-01 -3.489555209e-01 4.28 -3.393543439e-01 -3.393543439e-01 4.30 -3.301014374e-01 -3.301014374e-01 4.32 -3.212265175e-01 -3.212265175e-01 4.34 -3.127598450e-01 -3.127598450e-01 4.36 -3.047307316e-01 -3.047307316e-01 4.38 -2.970773828e-01 -2.970773828e-01 4.40 -2.897487480e-01 -2.897487480e-01 4.42 -2.828303400e-01 -2.828303400e-01 4.44 -2.763596297e-01 -2.763596297e-01 4.46 -2.703537561e-01 -2.703537561e-01 4.48 -2.648134270e-01 -2.648134270e-01 4.50 -2.597292077e-01 -2.597292077e-01 4.52 -2.550709485e-01 -2.550709485e-01 4.54 -2.508460034e-01 -2.508460034e-01 4.56 -2.470752250e-01 -2.470752250e-01 4.58 -2.434723675e-01 -2.434723675e-01 4.60 -2.397724261e-01 -2.397724261e-01 4.62 -2.357795213e-01 -2.357795213e-01 4.64 -2.313667249e-01 -2.313667249e-01 4.66 -2.265176302e-01 -2.265176302e-01 4.68 -2.213590477e-01 -2.213590477e-01 4.70 -2.161507723e-01 -2.161507723e-01 4.72 -2.112122417e-01 -2.112122417e-01 4.74 -2.067132561e-01 -2.067132561e-01 4.76 -2.026313856e-01 -2.026313856e-01 4.78 -1.988291119e-01 -1.988291119e-01 4.80 -1.951700459e-01 -1.951700459e-01 4.82 -1.915005222e-01 -1.915005222e-01 4.84 -1.877015365e-01 -1.877015365e-01 4.86 -1.837101590e-01 -1.837101590e-01 4.88 -1.795065748e-01 -1.795065748e-01 4.90 -1.750933626e-01 -1.750933626e-01 4.92 -1.704913942e-01 -1.704913942e-01 4.94 -1.657201897e-01 -1.657201897e-01 4.96 -1.607966426e-01 -1.607966426e-01 4.98 -1.557349483e-01 -1.557349483e-01 5.00 -1.505449571e-01 -1.505449571e-01 5.02 -1.452244676e-01 -1.452244676e-01 5.04 -1.397911368e-01 -1.397911368e-01 5.06 -1.342618088e-01 -1.342618088e-01 5.08 -1.286466198e-01 -1.286466198e-01 5.10 -1.229491374e-01 -1.229491374e-01 5.12 -1.171663438e-01 -1.171663438e-01 5.14 -1.112884989e-01 -1.112884989e-01 5.16 -1.052989605e-01 -1.052989605e-01 5.18 -9.917410620e-02 -9.917410620e-02 5.20 -9.288361788e-02 -9.288361788e-02 5.22 -8.639157923e-02 -8.639157923e-02 5.24 -7.965911145e-02 -7.965911145e-02 5.26 -7.264961918e-02 -7.264961918e-02 5.28 -6.533802174e-02 -6.533802174e-02 5.30 -5.772527747e-02 -5.772527747e-02 5.32 -4.985841182e-02 -4.985841182e-02 5.34 -4.185323269e-02 -4.185323269e-02 5.36 -3.391139968e-02 -3.391139968e-02 5.38 -2.631406330e-02 -2.631406330e-02 5.40 -1.938726265e-02 -1.938726265e-02 5.42 -1.343811729e-02 -1.343811729e-02 5.44 -8.674871199e-03 -8.674871199e-03 5.46 -5.152034771e-03 -5.152034771e-03 5.48 -2.767678753e-03 -2.767678753e-03 5.50 -1.309322009e-03 -1.309322009e-03 5.52 -5.205048746e-04 -5.205048746e-04 5.54 -1.587071522e-04 -1.587071522e-04 5.56 -3.008632868e-05 -3.008632868e-05 5.58 -1.801221473e-06 -1.801221473e-06 5.60 -1.022917146e-11 -1.012674578e-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