# 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 = CuFe2Ni # 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 -5.439410857e+02 -5.439410857e+02 1.06 -5.127897356e+02 -5.127897356e+02 1.08 -4.838650967e+02 -4.838650967e+02 1.10 -4.567608530e+02 -4.567608530e+02 1.12 -4.310912047e+02 -4.310912047e+02 1.14 -4.068196951e+02 -4.068196951e+02 1.16 -3.841299823e+02 -3.841299823e+02 1.18 -3.626858993e+02 -3.626858993e+02 1.20 -3.424030494e+02 -3.424030494e+02 1.22 -3.232687779e+02 -3.232687779e+02 1.24 -3.052006897e+02 -3.052006897e+02 1.26 -2.883828669e+02 -2.883828669e+02 1.28 -2.729500663e+02 -2.729500663e+02 1.30 -2.587421121e+02 -2.587421121e+02 1.32 -2.454560431e+02 -2.454560431e+02 1.34 -2.327887835e+02 -2.327887835e+02 1.36 -2.206402141e+02 -2.206402141e+02 1.38 -2.088523586e+02 -2.088523586e+02 1.40 -1.973951045e+02 -1.973951045e+02 1.42 -1.861979953e+02 -1.861979953e+02 1.44 -1.751824239e+02 -1.751824239e+02 1.46 -1.643126745e+02 -1.643126745e+02 1.48 -1.535215873e+02 -1.535215873e+02 1.50 -1.428643590e+02 -1.428643590e+02 1.52 -1.324143506e+02 -1.324143506e+02 1.54 -1.222333795e+02 -1.222333795e+02 1.56 -1.123661762e+02 -1.123661762e+02 1.58 -1.028454763e+02 -1.028454763e+02 1.60 -9.375347919e+01 -9.375347919e+01 1.62 -8.504238849e+01 -8.504238849e+01 1.64 -7.676423616e+01 -7.676423616e+01 1.66 -6.898370277e+01 -6.898370277e+01 1.68 -6.174663021e+01 -6.174663021e+01 1.70 -5.502348687e+01 -5.502348687e+01 1.72 -4.876145466e+01 -4.876145466e+01 1.74 -4.289807443e+01 -4.289807443e+01 1.76 -3.746070252e+01 -3.746070252e+01 1.78 -3.235924659e+01 -3.235924659e+01 1.80 -2.756593418e+01 -2.756593418e+01 1.82 -2.303899415e+01 -2.303899415e+01 1.84 -1.875235272e+01 -1.875235272e+01 1.86 -1.470734847e+01 -1.470734847e+01 1.88 -1.119446986e+01 -1.119446986e+01 1.90 -8.388150458e+00 -8.388150458e+00 1.92 -6.283973030e+00 -6.283973030e+00 1.94 -4.758362248e+00 -4.758362248e+00 1.96 -3.679650201e+00 -3.679650201e+00 1.98 -2.945045424e+00 -2.945045424e+00 2.00 -2.480568290e+00 -2.480568994e+00 2.02 -2.226010793e+00 -2.226010793e+00 2.04 -2.125705622e+00 -2.125705622e+00 2.06 -2.143399926e+00 -2.143399926e+00 2.08 -2.244126781e+00 -2.244126781e+00 2.10 -2.397252074e+00 -2.397252074e+00 2.12 -2.577703202e+00 -2.577703202e+00 2.14 -2.772421700e+00 -2.772421700e+00 2.16 -2.959843992e+00 -2.959843992e+00 2.18 -3.132838859e+00 -3.132838859e+00 2.20 -3.285417746e+00 -3.285417746e+00 2.22 -3.417170700e+00 -3.417170700e+00 2.24 -3.532262614e+00 -3.532262614e+00 2.26 -3.635421631e+00 -3.635421631e+00 2.28 -3.729586847e+00 -3.729586847e+00 2.30 -3.813610994e+00 -3.813610994e+00 2.32 -3.885660322e+00 -3.885660322e+00 2.34 -3.957904176e+00 -3.957904176e+00 2.36 -4.009983751e+00 -4.009983751e+00 2.38 -4.047472517e+00 -4.047472517e+00 2.40 -4.076990098e+00 -4.076990098e+00 2.42 -4.091121010e+00 -4.091121010e+00 2.44 -4.094198784e+00 -4.094198784e+00 2.46 -4.087957757e+00 -4.087957757e+00 2.48 -4.073920390e+00 -4.073920390e+00 2.50 -4.053360534e+00 -4.053360534e+00 2.52 -4.027119527e+00 -4.027119527e+00 2.54 -3.995888086e+00 -3.995888086e+00 2.56 -3.960400349e+00 -3.960400349e+00 2.58 -3.921316500e+00 -3.921316500e+00 2.60 -3.880449376e+00 -3.880449376e+00 2.62 -3.837658834e+00 -3.837658834e+00 2.64 -3.794369729e+00 -3.794369729e+00 2.66 -3.751359757e+00 -3.751359757e+00 2.68 -3.708958562e+00 -3.708958562e+00 2.70 -3.667101409e+00 -3.667101409e+00 2.72 -3.625441507e+00 -3.625441507e+00 2.74 -3.583412238e+00 -3.583412238e+00 2.76 -3.540346745e+00 -3.540346745e+00 2.78 -3.495676284e+00 -3.495676284e+00 2.80 -3.448918783e+00 -3.448918783e+00 2.82 -3.399831399e+00 -3.399831399e+00 2.84 -3.348560283e+00 -3.348560283e+00 2.86 -3.295737576e+00 -3.295737576e+00 2.88 -3.242181637e+00 -3.242181637e+00 2.90 -3.189329217e+00 -3.189329217e+00 2.92 -3.138729784e+00 -3.138729784e+00 2.94 -3.091741555e+00 -3.091741555e+00 2.96 -3.049424102e+00 -3.049424102e+00 2.98 -3.012427111e+00 -3.012427111e+00 3.00 -2.981364201e+00 -2.981364200e+00 3.02 -2.948800944e+00 -2.948800944e+00 3.04 -2.902048684e+00 -2.902048684e+00 3.06 -2.833023855e+00 -2.833023855e+00 3.08 -2.732275907e+00 -2.732275907e+00 3.10 -2.590185312e+00 -2.590185312e+00 3.12 -2.396992850e+00 -2.396992850e+00 3.14 -2.165948792e+00 -2.165948792e+00 3.16 -1.866644581e+00 -1.866644581e+00 3.18 -1.507078286e+00 -1.507078286e+00 3.20 -1.103555649e+00 -1.103555649e+00 3.22 -6.810049428e-01 -6.810049428e-01 3.24 -2.622136479e-01 -2.622136479e-01 3.26 1.331184450e-01 1.331184450e-01 3.28 4.894675873e-01 4.894675873e-01 3.30 7.966903216e-01 7.966903216e-01 3.32 1.050791318e+00 1.050791318e+00 3.34 1.253702231e+00 1.253702231e+00 3.36 1.411878377e+00 1.411878377e+00 3.38 1.534094089e+00 1.534094089e+00 3.40 1.629299213e+00 1.629299213e+00 3.42 1.705189266e+00 1.705189266e+00 3.44 1.767564472e+00 1.767564472e+00 3.46 1.820426539e+00 1.820426539e+00 3.48 1.866429632e+00 1.866429632e+00 3.50 1.907379490e+00 1.907379490e+00 3.52 1.944625463e+00 1.944625463e+00 3.54 1.979299483e+00 1.979299483e+00 3.56 2.012413934e+00 2.012413934e+00 3.58 2.044853219e+00 2.044853219e+00 3.60 2.077337370e+00 2.077337370e+00 3.62 2.110421533e+00 2.110421533e+00 3.64 2.144506477e+00 2.144506477e+00 3.66 2.179847081e+00 2.179847081e+00 3.68 2.203989519e+00 2.203989519e+00 3.70 2.235111838e+00 2.235111838e+00 3.72 2.265519046e+00 2.265519046e+00 3.74 2.294935535e+00 2.294935535e+00 3.76 2.323083644e+00 2.323083644e+00 3.78 2.349694615e+00 2.349694615e+00 3.80 2.374514874e+00 2.374514874e+00 3.82 2.397307063e+00 2.397307063e+00 3.84 2.417846549e+00 2.417846549e+00 3.86 2.435930796e+00 2.435930796e+00 3.88 2.451505409e+00 2.451505409e+00 3.90 2.464580686e+00 2.464580686e+00 3.92 2.475148894e+00 2.475148894e+00 3.94 2.483207852e+00 2.483207852e+00 3.96 2.489492572e+00 2.489492572e+00 3.98 2.495570108e+00 2.495570108e+00 4.00 2.502349332e+00 2.502349332e+00 4.02 2.510083442e+00 2.510083442e+00 4.04 2.518510688e+00 2.518510688e+00 4.06 2.526980045e+00 2.526980045e+00 4.08 2.534562182e+00 2.534562182e+00 4.10 2.540147101e+00 2.540147101e+00 4.12 2.542528910e+00 2.542528910e+00 4.14 2.540469406e+00 2.540469406e+00 4.16 2.532755195e+00 2.532755195e+00 4.18 2.518261246e+00 2.518261246e+00 4.20 2.495992604e+00 2.495992604e+00 4.22 2.465113889e+00 2.465113889e+00 4.24 2.424973962e+00 2.424973962e+00 4.26 2.375119508e+00 2.375119508e+00 4.28 2.315300912e+00 2.315300912e+00 4.30 2.245466363e+00 2.245466363e+00 4.32 2.165749045e+00 2.165749045e+00 4.34 2.076441762e+00 2.076441762e+00 4.36 1.977963156e+00 1.977963156e+00 4.38 1.870810109e+00 1.870810109e+00 4.40 1.755500674e+00 1.755500674e+00 4.42 1.632502628e+00 1.632502628e+00 4.44 1.502156070e+00 1.502156070e+00 4.46 1.364589974e+00 1.364589974e+00 4.48 1.219643450e+00 1.219643450e+00 4.50 1.066807414e+00 1.066807414e+00 4.52 9.052200506e-01 9.052200506e-01 4.54 7.338404204e-01 7.338404204e-01 4.56 5.523413580e-01 5.523413580e-01 4.58 3.619202715e-01 3.619202715e-01 4.60 1.644329245e-01 1.644329245e-01 4.62 -3.744786171e-02 -3.744786171e-02 4.64 -2.094535627e-01 -2.094535627e-01 4.66 -2.726930373e-01 -2.726930373e-01 4.68 -1.711055126e-01 -1.711055126e-01 4.70 1.186921158e-01 1.186921158e-01 4.72 5.892987976e-01 5.892987976e-01 4.74 1.209374756e+00 1.209374756e+00 4.76 1.933515353e+00 1.933515353e+00 4.78 2.712486783e+00 2.712486783e+00 4.80 3.501446557e+00 3.501446557e+00 4.82 4.264800960e+00 4.264800960e+00 4.84 4.977575460e+00 4.977575460e+00 4.86 5.624247507e+00 5.624247507e+00 4.88 6.196120401e+00 6.196120401e+00 4.90 6.688446059e+00 6.688446059e+00 4.92 7.097952807e+00 7.097952807e+00 4.94 7.421180532e+00 7.421180532e+00 4.96 7.653631131e+00 7.653631131e+00 4.98 7.789710712e+00 7.789710712e+00 5.00 7.823304922e+00 7.823304922e+00 5.02 7.748828812e+00 7.748828812e+00 5.04 7.562488295e+00 7.562488295e+00 5.06 7.263695584e+00 7.263695584e+00 5.08 6.855873146e+00 6.855873146e+00 5.10 6.346912858e+00 6.346912858e+00 5.12 5.749402248e+00 5.749402248e+00 5.14 5.080597097e+00 5.080597097e+00 5.16 4.362082788e+00 4.362082788e+00 5.18 3.619037290e+00 3.619037290e+00 5.20 3.063958808e+00 3.063958808e+00 5.22 2.391172468e+00 2.391172468e+00 5.24 1.770036569e+00 1.770036569e+00 5.26 1.220522556e+00 1.220522556e+00 5.28 7.567569677e-01 7.567569677e-01 5.30 3.860871631e-01 3.860871631e-01 5.32 1.088190995e-01 1.088190995e-01 5.34 -8.127547935e-02 -8.127547935e-02 5.36 -1.956845018e-01 -1.956845018e-01 5.38 -2.492916271e-01 -2.492916271e-01 5.40 -2.582518656e-01 -2.582518656e-01 5.42 -2.379925168e-01 -2.379925168e-01 5.44 -2.016935758e-01 -2.016935758e-01 5.46 -1.594506342e-01 -1.594506342e-01 5.48 -1.181276934e-01 -1.181276934e-01 5.50 -8.173862807e-02 -8.173862807e-02 5.52 -5.210517739e-02 -5.210517739e-02 5.54 -2.956200221e-02 -2.956200221e-02 5.56 -1.355126518e-02 -1.355126518e-02 5.58 -3.072952719e-03 -3.072952719e-03 5.60 3.029962755e-03 3.029962755e-03 5.62 5.898422068e-03 5.898422068e-03 5.64 6.563691755e-03 6.563691755e-03 5.66 5.894751779e-03 5.894751779e-03 5.68 4.576627264e-03 4.576627264e-03 5.70 3.108742882e-03 3.108742882e-03 5.72 1.814393213e-03 1.814393213e-03 5.74 8.625070936e-04 8.625070936e-04 5.76 2.936284599e-04 2.936284599e-04 5.78 4.855397223e-05 4.855397223e-05 5.80 1.773626363e-07 1.773626363e-07 5.82 -1.555957539e-05 -1.555957539e-05 5.84 -1.739127759e-04 -1.739127759e-04 5.86 -6.500417789e-04 -6.500417789e-04 5.88 -1.619160665e-03 -1.619160665e-03 5.90 -3.255942830e-03 -3.255942830e-03 5.92 -5.734967439e-03 -5.734967439e-03 5.94 -9.228585814e-03 -9.228585814e-03 5.96 -1.390682696e-02 -1.390682696e-02 5.98 -1.993539568e-02 -1.993539568e-02 6.00 -1.304380038e-02 -1.341188370e-02