# 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 = Co2CrNi # 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 -3.801291670e+02 -3.801291670e+02 1.06 -3.588719175e+02 -3.588719175e+02 1.08 -3.391216951e+02 -3.391216951e+02 1.10 -3.205187941e+02 -3.205187941e+02 1.12 -3.025550915e+02 -3.025550915e+02 1.14 -2.850654344e+02 -2.850654344e+02 1.16 -2.682980857e+02 -2.682980857e+02 1.18 -2.523565870e+02 -2.523565870e+02 1.20 -2.376520532e+02 -2.376520532e+02 1.22 -2.243494150e+02 -2.243494150e+02 1.24 -2.121994154e+02 -2.121994154e+02 1.26 -2.008628984e+02 -2.008628984e+02 1.28 -1.905697217e+02 -1.905697217e+02 1.30 -1.808960063e+02 -1.808960063e+02 1.32 -1.716925814e+02 -1.716925814e+02 1.34 -1.627375760e+02 -1.627375760e+02 1.36 -1.541260228e+02 -1.541260228e+02 1.38 -1.458264997e+02 -1.458264997e+02 1.40 -1.379845096e+02 -1.379845096e+02 1.42 -1.303026470e+02 -1.303026470e+02 1.44 -1.226244832e+02 -1.226244832e+02 1.46 -1.150100505e+02 -1.150100505e+02 1.48 -1.072865737e+02 -1.072865737e+02 1.50 -9.957800280e+01 -9.957800280e+01 1.52 -9.197818574e+01 -9.197818574e+01 1.54 -8.451534943e+01 -8.451534943e+01 1.56 -7.715627145e+01 -7.715627145e+01 1.58 -6.988326190e+01 -6.988326190e+01 1.60 -6.263055383e+01 -6.263055383e+01 1.62 -5.539043576e+01 -5.539043576e+01 1.64 -4.831497909e+01 -4.831497909e+01 1.66 -4.163851809e+01 -4.163851809e+01 1.68 -3.534893885e+01 -3.534893885e+01 1.70 -2.947758402e+01 -2.947758402e+01 1.72 -2.400934562e+01 -2.400934562e+01 1.74 -1.900444271e+01 -1.900444271e+01 1.76 -1.446190014e+01 -1.446190014e+01 1.78 -1.030644904e+01 -1.030644904e+01 1.80 -6.892216396e+00 -6.892216396e+00 1.82 -4.467235256e+00 -4.467235256e+00 1.84 -2.804892690e+00 -2.804892690e+00 1.86 -1.717860539e+00 -1.717860539e+00 1.88 -1.066117266e+00 -1.066117266e+00 1.90 -7.294375899e-01 -7.294375899e-01 1.92 -6.115294232e-01 -6.115294232e-01 1.94 -6.435625174e-01 -6.435625174e-01 1.96 -7.779082571e-01 -7.779082571e-01 1.98 -9.794245012e-01 -9.794245012e-01 2.00 -1.219199413e+00 -1.219199455e+00 2.02 -1.476481613e+00 -1.476481613e+00 2.04 -1.744316176e+00 -1.744316176e+00 2.06 -2.012430681e+00 -2.012430681e+00 2.08 -2.276246451e+00 -2.276246451e+00 2.10 -2.532253834e+00 -2.532253834e+00 2.12 -2.777910823e+00 -2.777910823e+00 2.14 -2.999225428e+00 -2.999225428e+00 2.16 -3.207531530e+00 -3.207531530e+00 2.18 -3.394444073e+00 -3.394444073e+00 2.20 -3.556175021e+00 -3.556175021e+00 2.22 -3.690996250e+00 -3.690996250e+00 2.24 -3.801521395e+00 -3.801521395e+00 2.26 -3.891776011e+00 -3.891776011e+00 2.28 -3.966209819e+00 -3.966209819e+00 2.30 -4.028580224e+00 -4.028580224e+00 2.32 -4.082614077e+00 -4.082614077e+00 2.34 -4.115973410e+00 -4.115973410e+00 2.36 -4.152419628e+00 -4.152419628e+00 2.38 -4.186954365e+00 -4.186954365e+00 2.40 -4.204190307e+00 -4.204190307e+00 2.42 -4.225344748e+00 -4.225344748e+00 2.44 -4.241524083e+00 -4.241524083e+00 2.46 -4.252171311e+00 -4.252171311e+00 2.48 -4.257367652e+00 -4.257367652e+00 2.50 -4.257287409e+00 -4.257287409e+00 2.52 -4.251588005e+00 -4.251588005e+00 2.54 -4.239742077e+00 -4.239742077e+00 2.56 -4.221309587e+00 -4.221309587e+00 2.58 -4.196016562e+00 -4.196016562e+00 2.60 -4.161627846e+00 -4.161627846e+00 2.62 -4.121280236e+00 -4.121280236e+00 2.64 -4.074275253e+00 -4.074275253e+00 2.66 -4.021145929e+00 -4.021145929e+00 2.68 -3.962370821e+00 -3.962370821e+00 2.70 -3.898431514e+00 -3.898431514e+00 2.72 -3.829856471e+00 -3.829856471e+00 2.74 -3.757224934e+00 -3.757224934e+00 2.76 -3.681232657e+00 -3.681232657e+00 2.78 -3.602746577e+00 -3.602746577e+00 2.80 -3.522836110e+00 -3.522836110e+00 2.82 -3.442563125e+00 -3.442563125e+00 2.84 -3.362772756e+00 -3.362772756e+00 2.86 -3.283981934e+00 -3.283981934e+00 2.88 -3.206249292e+00 -3.206249292e+00 2.90 -3.129244534e+00 -3.129244534e+00 2.92 -3.052769966e+00 -3.052769966e+00 2.94 -2.976425148e+00 -2.976425148e+00 2.96 -2.899528216e+00 -2.899528216e+00 2.98 -2.821644136e+00 -2.821644136e+00 3.00 -2.741332910e+00 -2.741332910e+00 3.02 -2.658390670e+00 -2.658390670e+00 3.04 -2.575215960e+00 -2.575215960e+00 3.06 -2.490955044e+00 -2.490955044e+00 3.08 -2.405904949e+00 -2.405904949e+00 3.10 -2.320418137e+00 -2.320418137e+00 3.12 -2.234970880e+00 -2.234970880e+00 3.14 -2.144858641e+00 -2.144858641e+00 3.16 -2.058598055e+00 -2.058598055e+00 3.18 -1.973712561e+00 -1.973712561e+00 3.20 -1.890756920e+00 -1.890756920e+00 3.22 -1.810160280e+00 -1.810160280e+00 3.24 -1.732271057e+00 -1.732271057e+00 3.26 -1.657348135e+00 -1.657348135e+00 3.28 -1.585555287e+00 -1.585555287e+00 3.30 -1.516955331e+00 -1.516955331e+00 3.32 -1.451507418e+00 -1.451507418e+00 3.34 -1.389071054e+00 -1.389071054e+00 3.36 -1.329446192e+00 -1.329446192e+00 3.38 -1.272400445e+00 -1.272400445e+00 3.40 -1.217714809e+00 -1.217714809e+00 3.42 -1.165285663e+00 -1.165285663e+00 3.44 -1.115047367e+00 -1.115047367e+00 3.46 -1.066956470e+00 -1.066956470e+00 3.48 -1.020986873e+00 -1.020986873e+00 3.50 -9.771198555e-01 -9.771198555e-01 3.52 -9.353340438e-01 -9.353340438e-01 3.54 -8.955981407e-01 -8.955981407e-01 3.56 -8.578673626e-01 -8.578673626e-01 3.58 -8.220835999e-01 -8.220835999e-01 3.60 -7.881769189e-01 -7.881769189e-01 3.62 -7.560667943e-01 -7.560667943e-01 3.64 -7.256643160e-01 -7.256643160e-01 3.66 -6.968949237e-01 -6.968949237e-01 3.68 -6.680698361e-01 -6.680698361e-01 3.70 -6.415623088e-01 -6.415623088e-01 3.72 -6.162703432e-01 -6.162703432e-01 3.74 -5.920987161e-01 -5.920987161e-01 3.76 -5.689495934e-01 -5.689495934e-01 3.78 -5.467223498e-01 -5.467223498e-01 3.80 -5.253133721e-01 -5.253133721e-01 3.82 -5.046160701e-01 -5.046160701e-01 3.84 -4.845204753e-01 -4.845204753e-01 3.86 -4.649185721e-01 -4.649185721e-01 3.88 -4.457460985e-01 -4.457460985e-01 3.90 -4.269622451e-01 -4.269622451e-01 3.92 -4.085263476e-01 -4.085263476e-01 3.94 -3.904041001e-01 -3.904041001e-01 3.96 -3.725732838e-01 -3.725732838e-01 3.98 -3.550151647e-01 -3.550151647e-01 4.00 -3.377132329e-01 -3.377132329e-01 4.02 -3.206532512e-01 -3.206532512e-01 4.04 -3.038234459e-01 -3.038234459e-01 4.06 -2.872146116e-01 -2.872146116e-01 4.08 -2.708198370e-01 -2.708198370e-01 4.10 -2.546349429e-01 -2.546349429e-01 4.12 -2.386579700e-01 -2.386579700e-01 4.14 -2.228777033e-01 -2.228777033e-01 4.16 -2.072662076e-01 -2.072662076e-01 4.18 -1.917963731e-01 -1.917963731e-01 4.20 -1.764517839e-01 -1.764517839e-01 4.22 -1.612632664e-01 -1.612632664e-01 4.24 -1.462791028e-01 -1.462791028e-01 4.26 -1.315495940e-01 -1.315495940e-01 4.28 -1.171268533e-01 -1.171268533e-01 4.30 -1.030647912e-01 -1.030647912e-01 4.32 -8.943998464e-02 -8.943998464e-02 4.34 -7.667905577e-02 -7.667905577e-02 4.36 -6.527381554e-02 -6.527381554e-02 4.38 -5.547698317e-02 -5.547698317e-02 4.40 -4.732971214e-02 -4.732971214e-02 4.42 -4.070038124e-02 -4.070038124e-02 4.44 -3.532878819e-02 -3.532878819e-02 4.46 -3.087452740e-02 -3.087452740e-02 4.48 -2.696635498e-02 -2.696635498e-02 4.50 -2.325001024e-02 -2.325001024e-02 4.52 -1.943164558e-02 -1.943164558e-02 4.54 -1.532788609e-02 -1.532788609e-02 4.56 -1.088193379e-02 -1.088193379e-02 4.58 -6.138468727e-03 -6.138468727e-03 4.60 -1.213348732e-03 -1.213348732e-03 4.62 3.740555555e-03 3.740555555e-03 4.64 8.566749797e-03 8.566749797e-03 4.66 1.313176503e-02 1.313176503e-02 4.68 1.734080792e-02 1.734080792e-02 4.70 2.114196664e-02 2.114196664e-02 4.72 2.452054991e-02 2.452054991e-02 4.74 2.748823950e-02 2.748823950e-02 4.76 3.007225210e-02 3.007225210e-02 4.78 3.231937539e-02 3.231937539e-02 4.80 3.428302143e-02 3.428302143e-02 4.82 3.599548049e-02 3.599548049e-02 4.84 3.748357702e-02 3.748357702e-02 4.86 3.877125084e-02 3.877125084e-02 4.88 3.987840106e-02 3.987840106e-02 4.90 4.081937713e-02 4.081937713e-02 4.92 4.160197023e-02 4.160197023e-02 4.94 4.222649743e-02 4.222649743e-02 4.96 4.269787087e-02 4.269787087e-02 4.98 4.306899303e-02 4.306899303e-02 5.00 4.337616173e-02 4.337616173e-02 5.02 4.362727806e-02 4.362727806e-02 5.04 4.380699341e-02 4.380699341e-02 5.06 4.388268895e-02 4.388268895e-02 5.08 4.381026452e-02 4.381026452e-02 5.10 4.354059661e-02 4.354059661e-02 5.12 4.302625126e-02 4.302625126e-02 5.14 4.222764135e-02 4.222764135e-02 5.16 4.111900369e-02 4.111900369e-02 5.18 3.969292576e-02 3.969292576e-02 5.20 3.829256486e-02 3.829256486e-02 5.22 3.632285621e-02 3.632285621e-02 5.24 3.412287728e-02 3.412287728e-02 5.26 3.176185795e-02 3.176185795e-02 5.28 2.931147948e-02 2.931147948e-02 5.30 2.683818142e-02 2.683818142e-02 5.32 2.439712320e-02 2.439712320e-02 5.34 2.202856735e-02 2.202856735e-02 5.36 1.975733258e-02 1.975733258e-02 5.38 1.759557835e-02 1.759557835e-02 5.40 1.554697608e-02 1.554697608e-02 5.42 1.361161137e-02 1.361161137e-02 5.44 1.179043307e-02 1.179043307e-02 5.46 1.008764014e-02 1.008764014e-02 5.48 8.511542392e-03 8.511542392e-03 5.50 7.074118511e-03 7.074118511e-03 5.52 5.789785833e-03 5.789785833e-03 5.54 4.666729632e-03 4.666729632e-03 5.56 3.696607689e-03 3.696607689e-03 5.58 2.868989153e-03 2.868989153e-03 5.60 2.173288281e-03 2.173288281e-03 5.62 1.598761562e-03 1.598761562e-03 5.64 1.134501543e-03 1.134501543e-03 5.66 7.693423612e-04 7.693423612e-04 5.68 4.918258667e-04 4.918258667e-04 5.70 2.903284888e-04 2.903284888e-04 5.72 1.529603094e-04 1.529603094e-04 5.74 6.752611494e-05 6.752611494e-05 5.76 2.182441175e-05 2.182441175e-05 5.78 3.479907723e-06 3.479907723e-06 5.80 5.730907098e-09 5.730907098e-09 5.82 -1.131569018e-06 -1.131569018e-06 5.84 -1.243908339e-05 -1.243908339e-05 5.86 -4.646139291e-05 -4.646139291e-05 5.88 -1.157226258e-04 -1.157226258e-04 5.90 -2.327346362e-04 -2.327346362e-04 5.92 -4.099477993e-04 -4.099477993e-04 5.94 -6.598673415e-04 -6.598673415e-04 5.96 -9.948947017e-04 -9.948947017e-04 5.98 -1.427178693e-03 -1.427178693e-03 6.00 -9.503690452e-04 -9.425072918e-04