# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Co # implementation = 2025--Sharifi-H--Cu-Cr-Co--LAMMPS--ipr1 # composition = Co2CrCu # 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 5.823214906e+02 5.823214906e+02 1.00 5.327691137e+02 5.327691137e+02 1.02 4.865314344e+02 4.865314344e+02 1.04 4.435739827e+02 4.435739827e+02 1.06 4.038135942e+02 4.038135942e+02 1.08 3.671326022e+02 3.671326022e+02 1.10 3.333897558e+02 3.333897558e+02 1.12 3.024286222e+02 3.024286222e+02 1.14 2.740840348e+02 2.740840348e+02 1.16 2.481870284e+02 2.481870284e+02 1.18 2.245686009e+02 2.245686009e+02 1.20 2.030625162e+02 2.030625162e+02 1.22 1.835073694e+02 1.835073694e+02 1.24 1.657480828e+02 1.657480828e+02 1.26 1.496369467e+02 1.496369467e+02 1.28 1.350342972e+02 1.350342972e+02 1.30 1.218089034e+02 1.218089034e+02 1.32 1.098381302e+02 1.098381302e+02 1.34 9.900794202e+01 9.900794202e+01 1.36 8.921274863e+01 8.921274863e+01 1.38 8.035519631e+01 8.035519631e+01 1.40 7.234587006e+01 7.234587006e+01 1.42 6.510292756e+01 6.510292756e+01 1.44 5.855169530e+01 5.855169530e+01 1.46 5.262424294e+01 5.262424294e+01 1.48 4.725894617e+01 4.725894617e+01 1.50 4.240004723e+01 4.240004723e+01 1.52 3.799722156e+01 3.799722156e+01 1.54 3.400515612e+01 3.400515612e+01 1.56 3.038316369e+01 3.038316369e+01 1.58 2.709477790e+01 2.709477790e+01 1.60 2.410736485e+01 2.410736485e+01 1.62 2.139175951e+01 2.139175951e+01 1.64 1.892183445e+01 1.892183445e+01 1.66 1.667414015e+01 1.667414015e+01 1.68 1.462765606e+01 1.462765606e+01 1.70 1.276356478e+01 1.276356478e+01 1.72 1.106504319e+01 1.106504319e+01 1.74 9.517069915e+00 9.517069915e+00 1.76 8.106246811e+00 8.106246811e+00 1.78 6.820600213e+00 6.820600213e+00 1.80 5.649363605e+00 5.649363605e+00 1.82 4.582843614e+00 4.582843614e+00 1.84 3.612330417e+00 3.612330417e+00 1.86 2.729996619e+00 2.729996619e+00 1.88 1.928765733e+00 1.928765733e+00 1.90 1.202151452e+00 1.202151452e+00 1.92 5.441762657e-01 5.441762657e-01 1.94 -5.066959835e-02 -5.066959835e-02 1.96 -5.874652564e-01 -5.874652564e-01 1.98 -1.070893282e+00 -1.070893282e+00 2.00 -1.505270961e+00 -1.505270961e+00 2.02 -1.894629726e+00 -1.894629726e+00 2.04 -2.242889829e+00 -2.242889829e+00 2.06 -2.553682717e+00 -2.553682717e+00 2.08 -2.830313887e+00 -2.830313887e+00 2.10 -3.075793059e+00 -3.075793059e+00 2.12 -3.292861413e+00 -3.292861413e+00 2.14 -3.484016315e+00 -3.484016315e+00 2.16 -3.651533745e+00 -3.651533745e+00 2.18 -3.797495334e+00 -3.797495334e+00 2.20 -3.923812582e+00 -3.923812582e+00 2.22 -4.032227841e+00 -4.032227841e+00 2.24 -4.124328406e+00 -4.124328406e+00 2.26 -4.201560894e+00 -4.201560894e+00 2.28 -4.265244249e+00 -4.265244249e+00 2.30 -4.316581516e+00 -4.316581516e+00 2.32 -4.356670038e+00 -4.356670038e+00 2.34 -4.386480416e+00 -4.386480416e+00 2.36 -4.406854472e+00 -4.406854472e+00 2.38 -4.418566235e+00 -4.418566235e+00 2.40 -4.422332189e+00 -4.422332189e+00 2.42 -4.418815889e+00 -4.418815889e+00 2.44 -4.408632169e+00 -4.408632169e+00 2.46 -4.392350973e+00 -4.392350973e+00 2.48 -4.370500867e+00 -4.370500867e+00 2.50 -4.343572229e+00 -4.343572229e+00 2.52 -4.312020172e+00 -4.312020172e+00 2.54 -4.276267222e+00 -4.276267222e+00 2.56 -4.236705754e+00 -4.236705754e+00 2.58 -4.193700239e+00 -4.193700239e+00 2.60 -4.147589290e+00 -4.147589290e+00 2.62 -4.098687546e+00 -4.098687546e+00 2.64 -4.047287398e+00 -4.047287398e+00 2.66 -3.993660574e+00 -3.993660574e+00 2.68 -3.938059594e+00 -3.938059594e+00 2.70 -3.880719116e+00 -3.880719116e+00 2.72 -3.821857166e+00 -3.821857166e+00 2.74 -3.761676275e+00 -3.761676275e+00 2.76 -3.700364532e+00 -3.700364532e+00 2.78 -3.638096546e+00 -3.638096546e+00 2.80 -3.575034343e+00 -3.575034343e+00 2.82 -3.511328194e+00 -3.511328194e+00 2.84 -3.447117381e+00 -3.447117381e+00 2.86 -3.382530906e+00 -3.382530906e+00 2.88 -3.317688150e+00 -3.317688150e+00 2.90 -3.252699488e+00 -3.252699488e+00 2.92 -3.187666856e+00 -3.187666856e+00 2.94 -3.122684284e+00 -3.122684284e+00 2.96 -3.057838389e+00 -3.057838389e+00 2.98 -2.993208839e+00 -2.993208839e+00 3.00 -2.928868780e+00 -2.928868780e+00 3.02 -2.864905374e+00 -2.864905374e+00 3.04 -2.801625192e+00 -2.801625192e+00 3.06 -2.739161210e+00 -2.739161210e+00 3.08 -2.676577351e+00 -2.676577351e+00 3.10 -2.614552361e+00 -2.614552361e+00 3.12 -2.553140598e+00 -2.553140598e+00 3.14 -2.492379479e+00 -2.492379479e+00 3.16 -2.432302496e+00 -2.432302496e+00 3.18 -2.372939457e+00 -2.372939457e+00 3.20 -2.314316714e+00 -2.314316714e+00 3.22 -2.256457376e+00 -2.256457376e+00 3.24 -2.199381506e+00 -2.199381506e+00 3.26 -2.143106316e+00 -2.143106316e+00 3.28 -2.087646345e+00 -2.087646345e+00 3.30 -2.033013623e+00 -2.033013623e+00 3.32 -1.979217840e+00 -1.979217840e+00 3.34 -1.926266486e+00 -1.926266486e+00 3.36 -1.874165005e+00 -1.874165005e+00 3.38 -1.822916923e+00 -1.822916923e+00 3.40 -1.772523980e+00 -1.772523980e+00 3.42 -1.722986253e+00 -1.722986253e+00 3.44 -1.674302271e+00 -1.674302271e+00 3.46 -1.626469127e+00 -1.626469127e+00 3.48 -1.579482584e+00 -1.579482584e+00 3.50 -1.533337178e+00 -1.533337178e+00 3.52 -1.488026316e+00 -1.488026316e+00 3.54 -1.443542372e+00 -1.443542372e+00 3.56 -1.399876777e+00 -1.399876777e+00 3.58 -1.357020112e+00 -1.357020112e+00 3.60 -1.314962199e+00 -1.314962199e+00 3.62 -1.273692184e+00 -1.273692184e+00 3.64 -1.233198632e+00 -1.233198632e+00 3.66 -1.193469612e+00 -1.193469612e+00 3.68 -1.154492794e+00 -1.154492794e+00 3.70 -1.116255541e+00 -1.116255541e+00 3.72 -1.078745008e+00 -1.078745008e+00 3.74 -1.041948248e+00 -1.041948248e+00 3.76 -1.005852320e+00 -1.005852320e+00 3.78 -9.704444100e-01 -9.704444100e-01 3.80 -9.357119531e-01 -9.357119531e-01 3.82 -9.016427713e-01 -9.016427713e-01 3.84 -8.682252165e-01 -8.682252165e-01 3.86 -8.354483250e-01 -8.354483250e-01 3.88 -8.033019818e-01 -8.033019818e-01 3.90 -7.717770936e-01 -7.717770936e-01 3.92 -7.408657700e-01 -7.408657700e-01 3.94 -7.105615102e-01 -7.105615102e-01 3.96 -6.808593925e-01 -6.808593925e-01 3.98 -6.517562629e-01 -6.517562629e-01 4.00 -6.232509165e-01 -6.232509165e-01 4.02 -5.953442666e-01 -5.953442666e-01 4.04 -5.680394922e-01 -5.680394922e-01 4.06 -5.413421558e-01 -5.413421558e-01 4.08 -5.152602809e-01 -5.152602809e-01 4.10 -4.898043774e-01 -4.898043774e-01 4.12 -4.649874040e-01 -4.649874040e-01 4.14 -4.408246555e-01 -4.408246555e-01 4.16 -4.173335640e-01 -4.173335640e-01 4.18 -3.945334064e-01 -3.945334064e-01 4.20 -3.724449115e-01 -3.724449115e-01 4.22 -3.510897657e-01 -3.510897657e-01 4.24 -3.304900213e-01 -3.304900213e-01 4.26 -3.103615817e-01 -3.103615817e-01 4.28 -2.847655282e-01 -2.847655282e-01 4.30 -2.406936174e-01 -2.406936174e-01 4.32 -1.964164417e-01 -1.964164417e-01 4.34 -1.843194260e-01 -1.843194260e-01 4.36 -1.758767455e-01 -1.758767455e-01 4.38 -1.678631351e-01 -1.678631351e-01 4.40 -1.602394487e-01 -1.602394487e-01 4.42 -1.529711551e-01 -1.529711551e-01 4.44 -1.460281739e-01 -1.460281739e-01 4.46 -1.393845794e-01 -1.393845794e-01 4.48 -1.330182119e-01 -1.330182119e-01 4.50 -1.269102347e-01 -1.269102347e-01 4.52 -1.210446695e-01 -1.210446695e-01 4.54 -1.154079401e-01 -1.154079401e-01 4.56 -1.099884432e-01 -1.099884432e-01 4.58 -1.047761629e-01 -1.047761629e-01 4.60 -9.976233655e-02 -9.976233655e-02 4.62 -9.493917475e-02 -9.493917475e-02 4.64 -9.029963482e-02 -9.029963482e-02 4.66 -8.583724299e-02 -8.583724299e-02 4.68 -8.154595917e-02 -8.154595917e-02 4.70 -7.742007725e-02 -7.742007725e-02 4.72 -7.345415365e-02 -7.345415365e-02 4.74 -6.964295762e-02 -6.964295762e-02 4.76 -6.598143756e-02 -6.598143756e-02 4.78 -6.246469866e-02 -6.246469866e-02 4.80 -5.908798826e-02 -5.908798826e-02 4.82 -5.584668632e-02 -5.584668632e-02 4.84 -5.273629912e-02 -5.273629912e-02 4.86 -4.975245477e-02 -4.975245477e-02 4.88 -4.689090003e-02 -4.689090003e-02 4.90 -4.414749754e-02 -4.414749754e-02 4.92 -4.147058186e-02 -4.147058186e-02 4.94 -3.830514878e-02 -3.830514878e-02 4.96 -3.302380799e-02 -3.302380799e-02 4.98 -2.096383129e-02 -2.096383129e-02 5.00 -2.935293999e-23 -2.931510501e-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