# 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 = CoCr2Fe # 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 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 -4.597409479e+02 -4.597409479e+02 1.06 -4.335676153e+02 -4.335676153e+02 1.08 -4.093363169e+02 -4.093363169e+02 1.10 -3.866748371e+02 -3.866748371e+02 1.12 -3.652541067e+02 -3.652541067e+02 1.14 -3.449310378e+02 -3.449310378e+02 1.16 -3.255410983e+02 -3.255410983e+02 1.18 -3.070272172e+02 -3.070272172e+02 1.20 -2.894500647e+02 -2.894500647e+02 1.22 -2.728831284e+02 -2.728831284e+02 1.24 -2.574310357e+02 -2.574310357e+02 1.26 -2.431727198e+02 -2.431727198e+02 1.28 -2.301007270e+02 -2.301007270e+02 1.30 -2.179832756e+02 -2.179832756e+02 1.32 -2.066147887e+02 -2.066147887e+02 1.34 -1.958254381e+02 -1.958254381e+02 1.36 -1.854928165e+02 -1.854928165e+02 1.38 -1.755399386e+02 -1.755399386e+02 1.40 -1.658723611e+02 -1.658723611e+02 1.42 -1.564120582e+02 -1.564120582e+02 1.44 -1.470859390e+02 -1.470859390e+02 1.46 -1.378601110e+02 -1.378601110e+02 1.48 -1.287025865e+02 -1.287025865e+02 1.50 -1.196410788e+02 -1.196410788e+02 1.52 -1.107129038e+02 -1.107129038e+02 1.54 -1.019489303e+02 -1.019489303e+02 1.56 -9.337477284e+01 -9.337477284e+01 1.58 -8.504227214e+01 -8.504227214e+01 1.60 -7.698821477e+01 -7.698821477e+01 1.62 -6.926103323e+01 -6.926103323e+01 1.64 -6.190737467e+01 -6.190737467e+01 1.66 -5.497089703e+01 -5.497089703e+01 1.68 -4.848538974e+01 -4.848538974e+01 1.70 -4.241990398e+01 -4.241990398e+01 1.72 -3.673807997e+01 -3.673807997e+01 1.74 -3.141953806e+01 -3.141953806e+01 1.76 -2.643884686e+01 -2.643884686e+01 1.78 -2.178808349e+01 -2.178808349e+01 1.80 -1.744781281e+01 -1.744781281e+01 1.82 -1.345132192e+01 -1.345132192e+01 1.84 -9.970835154e+00 -9.970835154e+00 1.86 -7.201573883e+00 -7.201573883e+00 1.88 -5.213887940e+00 -5.213887940e+00 1.90 -3.831011960e+00 -3.831011960e+00 1.92 -2.903042312e+00 -2.903042312e+00 1.94 -2.313650584e+00 -2.313650584e+00 1.96 -1.975557232e+00 -1.975557232e+00 1.98 -1.820749293e+00 -1.820749293e+00 2.00 -1.796310432e+00 -1.796310574e+00 2.02 -1.862068752e+00 -1.862068752e+00 2.04 -1.990735185e+00 -1.990735185e+00 2.06 -2.158299437e+00 -2.158299437e+00 2.08 -2.347208017e+00 -2.347208017e+00 2.10 -2.545130817e+00 -2.545130817e+00 2.12 -2.746820945e+00 -2.746820945e+00 2.14 -2.942247226e+00 -2.942247226e+00 2.16 -3.132309351e+00 -3.132309351e+00 2.18 -3.308976304e+00 -3.308976304e+00 2.20 -3.466544022e+00 -3.466544022e+00 2.22 -3.602614178e+00 -3.602614178e+00 2.24 -3.719809165e+00 -3.719809165e+00 2.26 -3.820332401e+00 -3.820332401e+00 2.28 -3.906368002e+00 -3.906368002e+00 2.30 -3.980389681e+00 -3.980389681e+00 2.32 -4.043998697e+00 -4.043998697e+00 2.34 -4.091843820e+00 -4.091843820e+00 2.36 -4.133047376e+00 -4.133047376e+00 2.38 -4.165807502e+00 -4.165807502e+00 2.40 -4.186191675e+00 -4.186191675e+00 2.42 -4.201391849e+00 -4.201391849e+00 2.44 -4.209700638e+00 -4.209700638e+00 2.46 -4.211491151e+00 -4.211491151e+00 2.48 -4.206937455e+00 -4.206937455e+00 2.50 -4.196881848e+00 -4.196881848e+00 2.52 -4.181818451e+00 -4.181818451e+00 2.54 -4.161555086e+00 -4.161555086e+00 2.56 -4.136055079e+00 -4.136055079e+00 2.58 -4.105406623e+00 -4.105406623e+00 2.60 -4.068993504e+00 -4.068993504e+00 2.62 -4.028235316e+00 -4.028235316e+00 2.64 -3.983033506e+00 -3.983033506e+00 2.66 -3.933738533e+00 -3.933738533e+00 2.68 -3.880601071e+00 -3.880601071e+00 2.70 -3.823859845e+00 -3.823859845e+00 2.72 -3.763815410e+00 -3.763815410e+00 2.74 -3.700815034e+00 -3.700815034e+00 2.76 -3.635251268e+00 -3.635251268e+00 2.78 -3.567623416e+00 -3.567623416e+00 2.80 -3.498527845e+00 -3.498527845e+00 2.82 -3.428579987e+00 -3.428579987e+00 2.84 -3.358357484e+00 -3.358357484e+00 2.86 -3.288410204e+00 -3.288410204e+00 2.88 -3.219220049e+00 -3.219220049e+00 2.90 -3.151031744e+00 -3.151031744e+00 2.92 -3.083986326e+00 -3.083986326e+00 2.94 -3.018248189e+00 -3.018248189e+00 2.96 -2.954003598e+00 -2.954003598e+00 2.98 -2.891429805e+00 -2.891429805e+00 3.00 -2.829670766e+00 -2.829670766e+00 3.02 -2.766647139e+00 -2.766647139e+00 3.04 -2.701187097e+00 -2.701187097e+00 3.06 -2.629940102e+00 -2.629940102e+00 3.08 -2.550465482e+00 -2.550465482e+00 3.10 -2.460374117e+00 -2.460374117e+00 3.12 -2.357613527e+00 -2.357613527e+00 3.14 -2.237062131e+00 -2.237062131e+00 3.16 -2.101440758e+00 -2.101440758e+00 3.18 -1.947291238e+00 -1.947291238e+00 3.20 -1.773211971e+00 -1.773211971e+00 3.22 -1.578553174e+00 -1.578553174e+00 3.24 -1.367855348e+00 -1.367855348e+00 3.26 -1.149729981e+00 -1.149729981e+00 3.28 -9.325314456e-01 -9.325314456e-01 3.30 -7.235884408e-01 -7.235884408e-01 3.32 -5.285041226e-01 -5.285041226e-01 3.34 -3.506637445e-01 -3.506637445e-01 3.36 -1.912803847e-01 -1.912803847e-01 3.38 -4.976699216e-02 -4.976699216e-02 3.40 7.567153079e-02 7.567153079e-02 3.42 1.872636318e-01 1.872636318e-01 3.44 2.871335947e-01 2.871335947e-01 3.46 3.769972848e-01 3.769972848e-01 3.48 4.580807676e-01 4.580807676e-01 3.50 5.311864434e-01 5.311864434e-01 3.52 5.968240310e-01 5.968240310e-01 3.54 6.553492135e-01 6.553492135e-01 3.56 7.070749999e-01 7.070749999e-01 3.58 7.523396503e-01 7.523396503e-01 3.60 7.915279753e-01 7.915279753e-01 3.62 8.250677745e-01 8.250677745e-01 3.64 8.534239681e-01 8.534239681e-01 3.66 8.770815870e-01 8.770815870e-01 3.68 8.944556055e-01 8.944556055e-01 3.70 9.081307004e-01 9.081307004e-01 3.72 9.174335520e-01 9.174335520e-01 3.74 9.225262039e-01 9.225262039e-01 3.76 9.235328245e-01 9.235328245e-01 3.78 9.205380124e-01 9.205380124e-01 3.80 9.135854570e-01 9.135854570e-01 3.82 9.026760617e-01 9.026760617e-01 3.84 8.877660420e-01 8.877660420e-01 3.86 8.687730456e-01 8.687730456e-01 3.88 8.456489076e-01 8.456489076e-01 3.90 8.183756029e-01 8.183756029e-01 3.92 7.869369087e-01 7.869369087e-01 3.94 7.513452230e-01 7.513452230e-01 3.96 7.116741334e-01 7.116741334e-01 3.98 6.680279879e-01 6.680279879e-01 4.00 6.205388228e-01 6.205388228e-01 4.02 5.693679477e-01 5.693679477e-01 4.04 5.147073003e-01 5.147073003e-01 4.06 4.567808077e-01 4.567808077e-01 4.08 3.958445661e-01 3.958445661e-01 4.10 3.321889182e-01 3.321889182e-01 4.12 2.661378538e-01 2.661378538e-01 4.14 1.980530129e-01 1.980530129e-01 4.16 1.283347709e-01 1.283347709e-01 4.18 5.741865096e-02 5.741865096e-02 4.20 -1.423179510e-02 -1.423179510e-02 4.22 -8.616898376e-02 -8.616898376e-02 4.24 -1.538000504e-01 -1.538000504e-01 4.26 -1.999869985e-01 -1.999869985e-01 4.28 -2.095755284e-01 -2.095755284e-01 4.30 -1.725817744e-01 -1.725817744e-01 4.32 -8.404649209e-02 -8.404649209e-02 4.34 5.624677093e-02 5.624677093e-02 4.36 2.441963637e-01 2.441963637e-01 4.38 4.719377922e-01 4.719377922e-01 4.40 7.285470850e-01 7.285470850e-01 4.42 1.000857524e+00 1.000857524e+00 4.44 1.274388932e+00 1.274388932e+00 4.46 1.534348687e+00 1.534348687e+00 4.48 1.766672130e+00 1.766672130e+00 4.50 1.959014414e+00 1.959014414e+00 4.52 2.101864971e+00 2.101864971e+00 4.54 2.190996970e+00 2.190996970e+00 4.56 2.227232792e+00 2.227232792e+00 4.58 2.214985810e+00 2.214985810e+00 4.60 2.161462283e+00 2.161462283e+00 4.62 2.075724467e+00 2.075724467e+00 4.64 1.967676351e+00 1.967676351e+00 4.66 1.847062078e+00 1.847062078e+00 4.68 1.722589101e+00 1.722589101e+00 4.70 1.601288287e+00 1.601288287e+00 4.72 1.488126817e+00 1.488126817e+00 4.74 1.385902092e+00 1.385902092e+00 4.76 1.295390910e+00 1.295390910e+00 4.78 1.215689145e+00 1.215689145e+00 4.80 1.144676663e+00 1.144676663e+00 4.82 1.079540548e+00 1.079540548e+00 4.84 1.017288867e+00 1.017288867e+00 4.86 9.552110500e-01 9.552110500e-01 4.88 8.911927232e-01 8.911927232e-01 4.90 8.239154855e-01 8.239154855e-01 4.92 7.529107730e-01 7.529107730e-01 4.94 6.784847831e-01 6.784847831e-01 4.96 6.015805959e-01 6.015805959e-01 4.98 5.235735159e-01 5.235735159e-01 5.00 4.460550090e-01 4.460550090e-01 5.02 3.706396120e-01 3.706396120e-01 5.04 2.987950275e-01 2.987950275e-01 5.06 2.317348118e-01 2.317348118e-01 5.08 1.703742912e-01 1.703742912e-01 5.10 1.153372595e-01 1.153372595e-01 5.12 6.697018141e-02 6.697018141e-02 5.14 2.535663478e-02 2.535663478e-02 5.16 -9.651338540e-03 -9.651338540e-03 5.18 -3.840275703e-02 -3.840275703e-02 5.20 -7.523742912e-02 -7.523742912e-02 5.22 -9.356778868e-02 -9.356778868e-02 5.24 -1.060721284e-01 -1.060721284e-01 5.26 -1.132385239e-01 -1.132385239e-01 5.28 -1.156326084e-01 -1.156326084e-01 5.30 -1.138960020e-01 -1.138960020e-01 5.32 -1.087360615e-01 -1.087360615e-01 5.34 -1.009057564e-01 -1.009057564e-01 5.36 -9.117406141e-02 -9.117406141e-02 5.38 -8.029014959e-02 -8.029014959e-02 5.40 -6.894536839e-02 -6.894536839e-02 5.42 -5.773820406e-02 -5.773820406e-02 5.44 -4.714942479e-02 -4.714942479e-02 5.46 -3.752810160e-02 -3.752810160e-02 5.48 -2.909123163e-02 -2.909123163e-02 5.50 -2.193575297e-02 -2.193575297e-02 5.52 -1.605830299e-02 -1.605830299e-02 5.54 -1.138146834e-02 -1.138146834e-02 5.56 -7.782290304e-03 -7.782290304e-03 5.58 -5.108938828e-03 -5.108938828e-03 5.60 -3.198978603e-03 -3.198978603e-03 5.62 -1.892775383e-03 -1.892775383e-03 5.64 -1.044401914e-03 -1.044401914e-03 5.66 -5.267130239e-04 -5.267130239e-04 5.68 -2.348717610e-04 -2.348717610e-04 5.70 -8.736665832e-05 -8.736665832e-05 5.72 -2.379640782e-05 -2.379640782e-05 5.74 -2.724010476e-06 -2.724010476e-06 5.76 9.548201192e-07 9.548201192e-07 5.78 4.031650416e-07 4.031650416e-07 5.80 -4.087613973e-09 -4.087613973e-09 5.82 -1.092633510e-07 -1.092633510e-07 5.84 -1.469240826e-06 -1.469240826e-06 5.86 -5.241736588e-06 -5.241736588e-06 5.88 -1.315170200e-05 -1.315170200e-05 5.90 -2.634879205e-05 -2.634879205e-05 5.92 -4.655635860e-05 -4.655635860e-05 5.94 -7.494696753e-05 -7.494696753e-05 5.96 -1.128806045e-04 -1.128806045e-04 5.98 -1.620390327e-04 -1.620390327e-04 6.00 -9.904282916e-05 -1.159015420e-04