# 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--ipr2 # composition = CrCu2Ni # 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 -3.852999437e+02 -3.852999437e+02 1.04 -3.639337540e+02 -3.639337540e+02 1.06 -3.433281996e+02 -3.433281996e+02 1.08 -3.240684889e+02 -3.240684889e+02 1.10 -3.058931834e+02 -3.058931834e+02 1.12 -2.880499161e+02 -2.880499161e+02 1.14 -2.704537868e+02 -2.704537868e+02 1.16 -2.533491391e+02 -2.533491391e+02 1.18 -2.374720336e+02 -2.374720336e+02 1.20 -2.237788644e+02 -2.237788644e+02 1.22 -2.122327208e+02 -2.122327208e+02 1.24 -2.018483154e+02 -2.018483154e+02 1.26 -1.919206298e+02 -1.919206298e+02 1.28 -1.824270973e+02 -1.824270973e+02 1.30 -1.733555387e+02 -1.733555387e+02 1.32 -1.644122026e+02 -1.644122026e+02 1.34 -1.553739981e+02 -1.553739981e+02 1.36 -1.464968930e+02 -1.464968930e+02 1.38 -1.382439618e+02 -1.382439618e+02 1.40 -1.307443190e+02 -1.307443190e+02 1.42 -1.236527544e+02 -1.236527544e+02 1.44 -1.165622628e+02 -1.165622628e+02 1.46 -1.093013830e+02 -1.093013830e+02 1.48 -1.019520156e+02 -1.019520156e+02 1.50 -9.468057381e+01 -9.468057381e+01 1.52 -8.762816606e+01 -8.762816606e+01 1.54 -8.082073586e+01 -8.082073586e+01 1.56 -7.408642885e+01 -7.408642885e+01 1.58 -6.709433733e+01 -6.709433733e+01 1.60 -5.958428724e+01 -5.958428724e+01 1.62 -5.162489908e+01 -5.162489908e+01 1.64 -4.358064548e+01 -4.358064548e+01 1.66 -3.585000797e+01 -3.585000797e+01 1.68 -2.865715423e+01 -2.865715423e+01 1.70 -2.207281765e+01 -2.207281765e+01 1.72 -1.615475333e+01 -1.615475333e+01 1.74 -1.097371931e+01 -1.097371931e+01 1.76 -6.787315394e+00 -6.787315394e+00 1.78 -4.042478800e+00 -4.042478800e+00 1.80 -2.335599488e+00 -2.335599488e+00 1.82 -1.261341596e+00 -1.261341596e+00 1.84 -5.862101338e-01 -5.862101338e-01 1.86 -1.984740415e-01 -1.984740415e-01 1.88 -3.375481613e-02 -3.375481613e-02 1.90 -3.366203492e-02 -3.366203492e-02 1.92 -1.431363246e-01 -1.431363246e-01 1.94 -3.220840135e-01 -3.220840135e-01 1.96 -5.464906107e-01 -5.464906107e-01 1.98 -8.018337853e-01 -8.018337853e-01 2.00 -1.077858349e+00 -1.077858349e+00 2.02 -1.366921565e+00 -1.366921565e+00 2.04 -1.663538743e+00 -1.663538743e+00 2.06 -1.962820867e+00 -1.962820867e+00 2.08 -2.258834876e+00 -2.258834876e+00 2.10 -2.543684528e+00 -2.543684528e+00 2.12 -2.808085125e+00 -2.808085125e+00 2.14 -3.042990921e+00 -3.042990921e+00 2.16 -3.241506967e+00 -3.241506967e+00 2.18 -3.400617573e+00 -3.400617573e+00 2.20 -3.521201832e+00 -3.521201832e+00 2.22 -3.606735947e+00 -3.606735947e+00 2.24 -3.661425562e+00 -3.661425562e+00 2.26 -3.689084350e+00 -3.689084350e+00 2.28 -3.700288060e+00 -3.700288060e+00 2.30 -3.707694891e+00 -3.707694891e+00 2.32 -3.720032110e+00 -3.720032110e+00 2.34 -3.737113631e+00 -3.737113631e+00 2.36 -3.756603830e+00 -3.756603830e+00 2.38 -3.776018413e+00 -3.776018413e+00 2.40 -3.792592741e+00 -3.792592741e+00 2.42 -3.803543577e+00 -3.803543577e+00 2.44 -3.807935721e+00 -3.807935721e+00 2.46 -3.806654781e+00 -3.806654781e+00 2.48 -3.800644170e+00 -3.800644170e+00 2.50 -3.790677618e+00 -3.790677618e+00 2.52 -3.776848876e+00 -3.776848876e+00 2.54 -3.759215650e+00 -3.759215650e+00 2.56 -3.737949134e+00 -3.737949134e+00 2.58 -3.713329875e+00 -3.713329875e+00 2.60 -3.685887909e+00 -3.685887909e+00 2.62 -3.656249458e+00 -3.656249458e+00 2.64 -3.625086734e+00 -3.625086734e+00 2.66 -3.593019392e+00 -3.593019392e+00 2.68 -3.560372043e+00 -3.560372043e+00 2.70 -3.527247390e+00 -3.527247390e+00 2.72 -3.493608076e+00 -3.493608076e+00 2.74 -3.459274756e+00 -3.459274756e+00 2.76 -3.423955125e+00 -3.423955125e+00 2.78 -3.387315895e+00 -3.387315895e+00 2.80 -3.348958075e+00 -3.348958075e+00 2.82 -3.308420331e+00 -3.308420331e+00 2.84 -3.265250023e+00 -3.265250023e+00 2.86 -3.219170186e+00 -3.219170186e+00 2.88 -3.169946554e+00 -3.169946554e+00 2.90 -3.117060620e+00 -3.117060620e+00 2.92 -3.060387565e+00 -3.060387565e+00 2.94 -2.999985684e+00 -2.999985684e+00 2.96 -2.936030517e+00 -2.936030517e+00 2.98 -2.868627190e+00 -2.868627190e+00 3.00 -2.797803342e+00 -2.797803342e+00 3.02 -2.723739727e+00 -2.723739727e+00 3.04 -2.646764449e+00 -2.646764449e+00 3.06 -2.567533504e+00 -2.567533504e+00 3.08 -2.486964745e+00 -2.486964745e+00 3.10 -2.405915449e+00 -2.405915449e+00 3.12 -2.325385387e+00 -2.325385387e+00 3.14 -2.246534733e+00 -2.246534733e+00 3.16 -2.170680104e+00 -2.170680104e+00 3.18 -2.099113224e+00 -2.099113224e+00 3.20 -2.032562433e+00 -2.032562433e+00 3.22 -1.971136918e+00 -1.971136918e+00 3.24 -1.914475776e+00 -1.914475776e+00 3.26 -1.861837822e+00 -1.861837822e+00 3.28 -1.812203133e+00 -1.812203133e+00 3.30 -1.764411747e+00 -1.764411747e+00 3.32 -1.717326868e+00 -1.717326868e+00 3.34 -1.669996970e+00 -1.669996970e+00 3.36 -1.621829275e+00 -1.621829275e+00 3.38 -1.572648518e+00 -1.572648518e+00 3.40 -1.522629198e+00 -1.522629198e+00 3.42 -1.472207964e+00 -1.472207964e+00 3.44 -1.421945928e+00 -1.421945928e+00 3.46 -1.372395360e+00 -1.372395360e+00 3.48 -1.323997561e+00 -1.323997561e+00 3.50 -1.277024729e+00 -1.277024729e+00 3.52 -1.231566210e+00 -1.231566210e+00 3.54 -1.187549081e+00 -1.187549081e+00 3.56 -1.144782101e+00 -1.144782101e+00 3.58 -1.103059841e+00 -1.103059841e+00 3.60 -1.062244562e+00 -1.062244562e+00 3.62 -1.022206406e+00 -1.022206406e+00 3.64 -9.828247062e-01 -9.828247062e-01 3.66 -9.440212540e-01 -9.440212540e-01 3.68 -9.057307234e-01 -9.057307234e-01 3.70 -8.678879209e-01 -8.678879209e-01 3.72 -8.304274246e-01 -8.304274246e-01 3.74 -7.932836722e-01 -7.932836722e-01 3.76 -7.563911027e-01 -7.563911027e-01 3.78 -7.196840112e-01 -7.196840112e-01 3.80 -6.830968888e-01 -6.830968888e-01 3.82 -6.465645083e-01 -6.465645083e-01 3.84 -6.100224700e-01 -6.100224700e-01 3.86 -5.734174169e-01 -5.734174169e-01 3.88 -5.367846772e-01 -5.367846772e-01 3.90 -5.002074441e-01 -5.002074441e-01 3.92 -4.637732011e-01 -4.637732011e-01 3.94 -4.275630094e-01 -4.275630094e-01 3.96 -3.916432107e-01 -3.916432107e-01 3.98 -3.560802629e-01 -3.560802629e-01 4.00 -3.209424212e-01 -3.209424212e-01 4.02 -2.866353554e-01 -2.866353554e-01 4.04 -2.553689500e-01 -2.553689500e-01 4.06 -2.294802897e-01 -2.294802897e-01 4.08 -2.106850687e-01 -2.106850687e-01 4.10 -2.001009878e-01 -2.001009878e-01 4.12 -1.982778930e-01 -1.982778930e-01 4.14 -2.052234330e-01 -2.052234330e-01 4.16 -2.204397239e-01 -2.204397239e-01 4.18 -2.429877026e-01 -2.429877026e-01 4.20 -2.715500557e-01 -2.715500557e-01 4.22 -3.045187887e-01 -3.045187887e-01 4.24 -3.400436959e-01 -3.400436959e-01 4.26 -3.760992843e-01 -3.760992843e-01 4.28 -4.105670023e-01 -4.105670023e-01 4.30 -4.413237432e-01 -4.413237432e-01 4.32 -4.663365952e-01 -4.663365952e-01 4.34 -4.837610266e-01 -4.837610266e-01 4.36 -4.920413613e-01 -4.920413613e-01 4.38 -4.900077883e-01 -4.900077883e-01 4.40 -4.769686869e-01 -4.769686869e-01 4.42 -4.526998566e-01 -4.526998566e-01 4.44 -4.167786231e-01 -4.167786231e-01 4.46 -3.691067638e-01 -3.691067638e-01 4.48 -3.102323880e-01 -3.102323880e-01 4.50 -2.408684010e-01 -2.408684010e-01 4.52 -1.622699315e-01 -1.622699315e-01 4.54 -7.635984377e-02 -7.635984377e-02 4.56 1.473836093e-02 1.473836093e-02 4.58 1.091517251e-01 1.091517251e-01 4.60 2.055150564e-01 2.055150564e-01 4.62 3.031285526e-01 3.031285526e-01 4.64 4.019849372e-01 4.019849372e-01 4.66 5.026546422e-01 5.026546422e-01 4.68 6.060508892e-01 6.060508892e-01 4.70 7.131298486e-01 7.131298486e-01 4.72 8.245943387e-01 8.245943387e-01 4.74 9.406602772e-01 9.406602772e-01 4.76 1.060919346e+00 1.060919346e+00 4.78 1.184312929e+00 1.184312929e+00 4.80 1.309178651e+00 1.309178651e+00 4.82 1.433333886e+00 1.433333886e+00 4.84 1.554207902e+00 1.554207902e+00 4.86 1.668980990e+00 1.668980990e+00 4.88 1.774722920e+00 1.774722920e+00 4.90 1.868521886e+00 1.868521886e+00 4.92 1.947597792e+00 1.947597792e+00 4.94 2.009407522e+00 2.009407522e+00 4.96 2.051737134e+00 2.051737134e+00 4.98 2.072784146e+00 2.072784146e+00 5.00 2.071234177e+00 2.071234177e+00 5.02 2.046326430e+00 2.046326430e+00 5.04 1.997915273e+00 1.997915273e+00 5.06 1.926504752e+00 1.926504752e+00 5.08 1.833295834e+00 1.833295834e+00 5.10 1.720222032e+00 1.720222032e+00 5.12 1.589949228e+00 1.589949228e+00 5.14 1.445837011e+00 1.445837011e+00 5.16 1.291855166e+00 1.291855166e+00 5.18 1.132448546e+00 1.132448546e+00 5.20 9.723385925e-01 9.723385925e-01 5.22 8.163379638e-01 8.163379638e-01 5.24 6.692464399e-01 6.692464399e-01 5.26 5.351724350e-01 5.351724350e-01 5.28 4.171267794e-01 4.171267794e-01 5.30 3.168495834e-01 3.168495834e-01 5.32 2.347568693e-01 2.347568693e-01 5.34 1.700357834e-01 1.700357834e-01 5.36 1.208795276e-01 1.208795276e-01 5.38 8.483082463e-02 8.483082463e-02 5.40 5.916915241e-02 5.916915241e-02 5.42 4.127023670e-02 4.127023670e-02 5.44 2.887260656e-02 2.887260656e-02 5.46 2.021566904e-02 2.021566904e-02 5.48 1.405288870e-02 1.405288870e-02 5.50 9.573479223e-03 9.573479223e-03 5.52 6.282384845e-03 6.282384845e-03 5.54 3.881013902e-03 3.881013902e-03 5.56 2.175230290e-03 2.175230290e-03 5.58 1.020579998e-03 1.020579998e-03 5.60 2.949538610e-04 2.949538610e-04 5.62 -1.101661761e-04 -1.101661761e-04 5.64 -2.902144559e-04 -2.902144559e-04 5.66 -3.256067292e-04 -3.256067292e-04 5.68 -2.803444286e-04 -2.803444286e-04 5.70 -2.018776441e-04 -2.018776441e-04 5.72 -1.221591605e-04 -1.221591605e-04 5.74 -5.944055661e-05 -5.944055661e-05 5.76 -2.052899774e-05 -2.052899774e-05 5.78 -3.410634171e-06 -3.410634171e-06 5.80 -1.343312092e-08 -1.343312092e-08 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