# 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 = AuCu2Fe # 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 1.707938974e+02 1.707938974e+02 1.30 1.567678558e+02 1.567678558e+02 1.32 1.438671213e+02 1.438671213e+02 1.34 1.319964907e+02 1.319964907e+02 1.36 1.210678965e+02 1.210678965e+02 1.38 1.110010525e+02 1.110010525e+02 1.40 1.017234557e+02 1.017234557e+02 1.42 9.316967406e+01 9.316967406e+01 1.44 8.528034952e+01 8.528034952e+01 1.46 7.800144716e+01 7.800144716e+01 1.48 7.128392129e+01 7.128392129e+01 1.50 6.508348870e+01 6.508348870e+01 1.52 5.936008753e+01 5.936008753e+01 1.54 5.407699776e+01 5.407699776e+01 1.56 4.920003109e+01 4.920003109e+01 1.58 4.469720349e+01 4.469720349e+01 1.60 4.054633128e+01 4.054633128e+01 1.62 3.672963135e+01 3.672963135e+01 1.64 3.322127096e+01 3.322127096e+01 1.66 2.999776695e+01 2.999776695e+01 1.68 2.703739892e+01 2.703739892e+01 1.70 2.431972856e+01 2.431972856e+01 1.72 2.182526362e+01 2.182526362e+01 1.74 1.953556098e+01 1.953556098e+01 1.76 1.743350481e+01 1.743350481e+01 1.78 1.550353557e+01 1.550353557e+01 1.80 1.373167769e+01 1.373167769e+01 1.82 1.210538335e+01 1.210538335e+01 1.84 1.061330719e+01 1.061330719e+01 1.86 9.245095559e+00 9.245095559e+00 1.88 7.991208846e+00 7.991208846e+00 1.90 6.842774731e+00 6.842774731e+00 1.92 5.791481464e+00 5.791481464e+00 1.94 4.829526619e+00 4.829526619e+00 1.96 3.949621729e+00 3.949621729e+00 1.98 3.145028347e+00 3.145028347e+00 2.00 2.409589901e+00 2.409589901e+00 2.02 1.737735181e+00 1.737735181e+00 2.04 1.124448850e+00 1.124448850e+00 2.06 5.652169961e-01 5.652169961e-01 2.08 5.596000322e-02 5.596000322e-02 2.10 -4.070355818e-01 -4.070355818e-01 2.12 -8.271784306e-01 -8.271784306e-01 2.14 -1.207624406e+00 -1.207624406e+00 2.16 -1.551319490e+00 -1.551319490e+00 2.18 -1.861033863e+00 -1.861033863e+00 2.20 -2.139385743e+00 -2.139385743e+00 2.22 -2.388853539e+00 -2.388853539e+00 2.24 -2.611777978e+00 -2.611777978e+00 2.26 -2.810360308e+00 -2.810360308e+00 2.28 -2.986663869e+00 -2.986663869e+00 2.30 -3.142621090e+00 -3.142621090e+00 2.32 -3.280039818e+00 -3.280039818e+00 2.34 -3.400599776e+00 -3.400599776e+00 2.36 -3.505836390e+00 -3.505836390e+00 2.38 -3.597120085e+00 -3.597120085e+00 2.40 -3.675644810e+00 -3.675644810e+00 2.42 -3.742435208e+00 -3.742435208e+00 2.44 -3.798371955e+00 -3.798371955e+00 2.46 -3.844245271e+00 -3.844245271e+00 2.48 -3.880831686e+00 -3.880831686e+00 2.50 -3.908696553e+00 -3.908696553e+00 2.52 -3.928385630e+00 -3.928385630e+00 2.54 -3.940453706e+00 -3.940453706e+00 2.56 -3.945795320e+00 -3.945795320e+00 2.58 -3.945055145e+00 -3.945055145e+00 2.60 -3.938228002e+00 -3.938228002e+00 2.62 -3.925409814e+00 -3.925409814e+00 2.64 -3.906778288e+00 -3.906778288e+00 2.66 -3.882583358e+00 -3.882583358e+00 2.68 -3.853110789e+00 -3.853110789e+00 2.70 -3.818605650e+00 -3.818605650e+00 2.72 -3.779404547e+00 -3.779404547e+00 2.74 -3.735904618e+00 -3.735904618e+00 2.76 -3.688508409e+00 -3.688508409e+00 2.78 -3.637606813e+00 -3.637606813e+00 2.80 -3.583566454e+00 -3.583566454e+00 2.82 -3.526723335e+00 -3.526723335e+00 2.84 -3.467382932e+00 -3.467382932e+00 2.86 -3.405824755e+00 -3.405824755e+00 2.88 -3.342308528e+00 -3.342308528e+00 2.90 -3.277079669e+00 -3.277079669e+00 2.92 -3.210372939e+00 -3.210372939e+00 2.94 -3.142414314e+00 -3.142414314e+00 2.96 -3.073421696e+00 -3.073421696e+00 2.98 -3.003605128e+00 -3.003605128e+00 3.00 -2.933166762e+00 -2.933166762e+00 3.02 -2.862300472e+00 -2.862300472e+00 3.04 -2.791190779e+00 -2.791190779e+00 3.06 -2.720010888e+00 -2.720010888e+00 3.08 -2.648920091e+00 -2.648920091e+00 3.10 -2.578061252e+00 -2.578061252e+00 3.12 -2.507559383e+00 -2.507559383e+00 3.14 -2.437522158e+00 -2.437522158e+00 3.16 -2.368042714e+00 -2.368042714e+00 3.18 -2.299204385e+00 -2.299204385e+00 3.20 -2.231086447e+00 -2.231086447e+00 3.22 -2.163769675e+00 -2.163769675e+00 3.24 -2.097340612e+00 -2.097340612e+00 3.26 -2.031893736e+00 -2.031893736e+00 3.28 -1.967531203e+00 -1.967531203e+00 3.30 -1.904360266e+00 -1.904360266e+00 3.32 -1.842488862e+00 -1.842488862e+00 3.34 -1.782020151e+00 -1.782020151e+00 3.36 -1.723046853e+00 -1.723046853e+00 3.38 -1.665646210e+00 -1.665646210e+00 3.40 -1.609876205e+00 -1.609876205e+00 3.42 -1.555773379e+00 -1.555773379e+00 3.44 -1.503352338e+00 -1.503352338e+00 3.46 -1.452606746e+00 -1.452606746e+00 3.48 -1.403511478e+00 -1.403511478e+00 3.50 -1.356025512e+00 -1.356025512e+00 3.52 -1.310095171e+00 -1.310095171e+00 3.54 -1.265657394e+00 -1.265657394e+00 3.56 -1.222642808e+00 -1.222642808e+00 3.58 -1.180978495e+00 -1.180978495e+00 3.60 -1.140590422e+00 -1.140590422e+00 3.62 -1.101405570e+00 -1.101405570e+00 3.64 -1.063353833e+00 -1.063353833e+00 3.66 -1.026369753e+00 -1.026369753e+00 3.68 -9.903941697e-01 -9.903941697e-01 3.70 -9.553757667e-01 -9.553757667e-01 3.72 -9.212724931e-01 -9.212724931e-01 3.74 -8.880527294e-01 -8.880527294e-01 3.76 -8.556960250e-01 -8.556960250e-01 3.78 -8.241931936e-01 -8.241931936e-01 3.80 -7.935455615e-01 -7.935455615e-01 3.82 -7.637632430e-01 -7.637632430e-01 3.84 -7.348624490e-01 -7.348624490e-01 3.86 -7.068620179e-01 -7.068620179e-01 3.88 -6.797795298e-01 -6.797795298e-01 3.90 -6.536274839e-01 -6.536274839e-01 3.92 -6.284100399e-01 -6.284100399e-01 3.94 -6.041207270e-01 -6.041207270e-01 3.96 -5.807413386e-01 -5.807413386e-01 3.98 -5.582420299e-01 -5.582420299e-01 4.00 -5.365824323e-01 -5.365824323e-01 4.02 -5.157134924e-01 -5.157134924e-01 4.04 -4.955797037e-01 -4.955797037e-01 4.06 -4.761214379e-01 -4.761214379e-01 4.08 -4.572771634e-01 -4.572771634e-01 4.10 -4.389854270e-01 -4.389854270e-01 4.12 -4.211865657e-01 -4.211865657e-01 4.14 -4.038241525e-01 -4.038241525e-01 4.16 -3.868462466e-01 -3.868462466e-01 4.18 -3.702064905e-01 -3.702064905e-01 4.20 -3.538651085e-01 -3.538651085e-01 4.22 -3.377898329e-01 -3.377898329e-01 4.24 -3.219567541e-01 -3.219567541e-01 4.26 -3.063510685e-01 -3.063510685e-01 4.28 -2.909676664e-01 -2.909676664e-01 4.30 -2.758114891e-01 -2.758114891e-01 4.32 -2.608975708e-01 -2.608975708e-01 4.34 -2.462506801e-01 -2.462506801e-01 4.36 -2.319044874e-01 -2.319044874e-01 4.38 -2.179002101e-01 -2.179002101e-01 4.40 -2.042847231e-01 -2.042847231e-01 4.42 -1.911081831e-01 -1.911081831e-01 4.44 -1.784212753e-01 -1.784212753e-01 4.46 -1.662722661e-01 -1.662722661e-01 4.48 -1.547040938e-01 -1.547040938e-01 4.50 -1.437517608e-01 -1.437517608e-01 4.52 -1.334402723e-01 -1.334402723e-01 4.54 -1.237833084e-01 -1.237833084e-01 4.56 -1.147827280e-01 -1.147827280e-01 4.58 -1.064288947e-01 -1.064288947e-01 4.60 -9.870172142e-02 -9.870172142e-02 4.62 -9.157225880e-02 -9.157225880e-02 4.64 -8.500461852e-02 -8.500461852e-02 4.66 -7.895802411e-02 -7.895802411e-02 4.68 -7.338881505e-02 -7.338881505e-02 4.70 -6.825227625e-02 -6.825227625e-02 4.72 -6.350398199e-02 -6.350398199e-02 4.74 -5.910112610e-02 -5.910112610e-02 4.76 -5.500441887e-02 -5.500441887e-02 4.78 -5.117804982e-02 -5.117804982e-02 4.80 -4.758991640e-02 -4.758991640e-02 4.82 -4.421199800e-02 -4.421199800e-02 4.84 -4.102051241e-02 -4.102051241e-02 4.86 -3.799590857e-02 -3.799590857e-02 4.88 -3.512271813e-02 -3.512271813e-02 4.90 -3.238929045e-02 -3.238929045e-02 4.92 -2.978742603e-02 -2.978742603e-02 4.94 -2.731192217e-02 -2.731192217e-02 4.96 -2.496004693e-02 -2.496004693e-02 4.98 -2.273096057e-02 -2.273096057e-02 5.00 -2.062511245e-02 -2.062511245e-02 5.02 -1.864364364e-02 -1.864364364e-02 5.04 -1.678782808e-02 -1.678782808e-02 5.06 -1.505858436e-02 -1.505858436e-02 5.08 -1.345608421e-02 -1.345608421e-02 5.10 -1.197931323e-02 -1.197931323e-02 5.12 -1.062616037e-02 -1.062616037e-02 5.14 -9.393518209e-03 -9.393518209e-03 5.16 -8.277061153e-03 -8.277061153e-03 5.18 -7.271392387e-03 -7.271392387e-03 5.20 -6.370244872e-03 -6.370244872e-03 5.22 -5.566710130e-03 -5.566710130e-03 5.24 -4.853472243e-03 -4.853472243e-03 5.26 -4.223029276e-03 -4.223029276e-03 5.28 -3.667889644e-03 -3.667889644e-03 5.30 -3.180736164e-03 -3.180736164e-03 5.32 -2.754554950e-03 -2.754554950e-03 5.34 -2.382729754e-03 -2.382729754e-03 5.36 -2.059104681e-03 -2.059104681e-03 5.38 -1.778019589e-03 -1.778019589e-03 5.40 -1.534323066e-03 -1.534323066e-03 5.42 -1.323367890e-03 -1.323367890e-03 5.44 -1.140993509e-03 -1.140993509e-03 5.46 -9.834995029e-04 -9.834995029e-04 5.48 -8.476133156e-04 -8.476133156e-04 5.50 -7.304548905e-04 -7.304548905e-04 5.52 -6.295002131e-04 -6.295002131e-04 5.54 -5.425452401e-04 -5.425452401e-04 5.56 -4.676712430e-04 -4.676712430e-04 5.58 -4.032122351e-04 -4.032122351e-04 5.60 -3.477248783e-04 -3.477248783e-04 5.62 -2.999610549e-04 -2.999610549e-04 5.64 -2.588431411e-04 -2.588431411e-04 5.66 -2.234419151e-04 -2.234419151e-04 5.68 -1.929569636e-04 -1.929569636e-04 5.70 -1.666994109e-04 -1.666994109e-04 5.72 -1.440767725e-04 -1.440767725e-04 5.74 -1.245797280e-04 -1.245797280e-04 5.76 -1.077706117e-04 -1.077706117e-04 5.78 -9.327342777e-05 -9.327342777e-05 5.80 -8.076520872e-05 -8.076520872e-05 5.82 -6.996855328e-05 -6.996855328e-05 5.84 -6.064519256e-05 -6.064519256e-05 5.86 -5.259045134e-05 -5.259045134e-05 5.88 -4.562848525e-05 -4.562848525e-05 5.90 -3.960818898e-05 -3.960818898e-05 5.92 -3.439968352e-05 -3.439968352e-05 5.94 -2.989130225e-05 -2.989130225e-05 5.96 -2.598700613e-05 -2.598700613e-05 5.98 -2.260416762e-05 -2.260416762e-05 6.00 -1.967167091e-05 -1.967167091e-05