# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Fe-Mn # implementation = 2025--Sharifi-H--Cu-Fe-Mn--LAMMPS--ipr1 # composition = Cu2FeMn # 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 7.381491065e+02 7.381491065e+02 1.00 6.579343738e+02 6.579343738e+02 1.02 5.834755652e+02 5.834755652e+02 1.04 5.154983351e+02 5.154983351e+02 1.06 4.542030086e+02 4.542030086e+02 1.08 3.994509677e+02 3.994509677e+02 1.10 3.508959294e+02 3.508959294e+02 1.12 3.080749961e+02 3.080749961e+02 1.14 2.704706848e+02 2.704706848e+02 1.16 2.375521472e+02 2.375521472e+02 1.18 2.088015843e+02 2.088015843e+02 1.20 1.837302938e+02 1.837302938e+02 1.22 1.618875335e+02 1.618875335e+02 1.24 1.428645215e+02 1.428645215e+02 1.26 1.262952211e+02 1.262952211e+02 1.28 1.118550742e+02 1.118550742e+02 1.30 9.925848378e+01 9.925848378e+01 1.32 8.825563458e+01 8.825563458e+01 1.34 7.862909424e+01 7.862909424e+01 1.36 7.019036942e+01 7.019036942e+01 1.38 6.277657221e+01 6.277657221e+01 1.40 5.624730187e+01 5.624730187e+01 1.42 5.048178734e+01 5.048178734e+01 1.44 4.537630870e+01 4.537630870e+01 1.46 4.084190156e+01 4.084190156e+01 1.48 3.680232927e+01 3.680232927e+01 1.50 3.319230560e+01 3.319230560e+01 1.52 2.995594700e+01 2.995594700e+01 1.54 2.704542906e+01 2.704542906e+01 1.56 2.441982572e+01 2.441982572e+01 1.58 2.204410927e+01 2.204410927e+01 1.60 1.988828940e+01 1.988828940e+01 1.62 1.792667644e+01 1.792667644e+01 1.64 1.613725054e+01 1.613725054e+01 1.66 1.450111891e+01 1.450111891e+01 1.68 1.300203282e+01 1.300203282e+01 1.70 1.162597972e+01 1.162597972e+01 1.72 1.036085528e+01 1.036085528e+01 1.74 9.196184116e+00 9.196184116e+00 1.76 8.122882569e+00 8.122882569e+00 1.78 7.133085295e+00 7.133085295e+00 1.80 6.219938920e+00 6.219938920e+00 1.82 5.377364898e+00 5.377364898e+00 1.84 4.599920612e+00 4.599920612e+00 1.86 3.882707642e+00 3.882707642e+00 1.88 3.221271816e+00 3.221271816e+00 1.90 2.611550335e+00 2.611550335e+00 1.92 2.049827653e+00 2.049827653e+00 1.94 1.532695624e+00 1.532695624e+00 1.96 1.057000824e+00 1.057000824e+00 1.98 6.198029938e-01 6.198029938e-01 2.00 2.183610562e-01 2.183610562e-01 2.02 -1.498781512e-01 -1.498781512e-01 2.04 -4.872909495e-01 -4.872909495e-01 2.06 -7.960876831e-01 -7.960876831e-01 2.08 -1.078323249e+00 -1.078323249e+00 2.10 -1.335907204e+00 -1.335907204e+00 2.12 -1.570613468e+00 -1.570613468e+00 2.14 -1.784089551e+00 -1.784089551e+00 2.16 -1.977865280e+00 -1.977865280e+00 2.18 -2.153361077e+00 -2.153361077e+00 2.20 -2.311895727e+00 -2.311895727e+00 2.22 -2.454693680e+00 -2.454693680e+00 2.24 -2.582896197e+00 -2.582896197e+00 2.26 -2.697572672e+00 -2.697572672e+00 2.28 -2.799715849e+00 -2.799715849e+00 2.30 -2.890245994e+00 -2.890245994e+00 2.32 -2.970016453e+00 -2.970016453e+00 2.34 -3.039818807e+00 -3.039818807e+00 2.36 -3.100387645e+00 -3.100387645e+00 2.38 -3.152404953e+00 -3.152404953e+00 2.40 -3.196504221e+00 -3.196504221e+00 2.42 -3.233265546e+00 -3.233265546e+00 2.44 -3.263187456e+00 -3.263187456e+00 2.46 -3.286728005e+00 -3.286728005e+00 2.48 -3.304321382e+00 -3.304321382e+00 2.50 -3.316379093e+00 -3.316379093e+00 2.52 -3.323291102e+00 -3.323291102e+00 2.54 -3.325426882e+00 -3.325426882e+00 2.56 -3.323136411e+00 -3.323136411e+00 2.58 -3.316751074e+00 -3.316751074e+00 2.60 -3.306584479e+00 -3.306584479e+00 2.62 -3.292933185e+00 -3.292933185e+00 2.64 -3.276077329e+00 -3.276077329e+00 2.66 -3.256281171e+00 -3.256281171e+00 2.68 -3.233793556e+00 -3.233793556e+00 2.70 -3.208848318e+00 -3.208848318e+00 2.72 -3.181664656e+00 -3.181664656e+00 2.74 -3.152447524e+00 -3.152447524e+00 2.76 -3.121388071e+00 -3.121388071e+00 2.78 -3.088664180e+00 -3.088664180e+00 2.80 -3.054441131e+00 -3.054441131e+00 2.82 -3.018872404e+00 -3.018872404e+00 2.84 -2.982100602e+00 -2.982100602e+00 2.86 -2.944258463e+00 -2.944258463e+00 2.88 -2.905469905e+00 -2.905469905e+00 2.90 -2.865851029e+00 -2.865851029e+00 2.92 -2.825511025e+00 -2.825511025e+00 2.94 -2.784552946e+00 -2.784552946e+00 2.96 -2.743074292e+00 -2.743074292e+00 2.98 -2.701167441e+00 -2.701167441e+00 3.00 -2.658919918e+00 -2.658919918e+00 3.02 -2.616521597e+00 -2.616521597e+00 3.04 -2.575360816e+00 -2.575360816e+00 3.06 -2.535938312e+00 -2.535938312e+00 3.08 -2.493044840e+00 -2.493044840e+00 3.10 -2.450115692e+00 -2.450115692e+00 3.12 -2.407278916e+00 -2.407278916e+00 3.14 -2.364590045e+00 -2.364590045e+00 3.16 -2.322100497e+00 -2.322100497e+00 3.18 -2.279857737e+00 -2.279857737e+00 3.20 -2.237905476e+00 -2.237905476e+00 3.22 -2.196283855e+00 -2.196283855e+00 3.24 -2.155029641e+00 -2.155029641e+00 3.26 -2.114176416e+00 -2.114176416e+00 3.28 -2.073754755e+00 -2.073754755e+00 3.30 -2.033792401e+00 -2.033792401e+00 3.32 -1.994314426e+00 -1.994314426e+00 3.34 -1.955343387e+00 -1.955343387e+00 3.36 -1.916899477e+00 -1.916899477e+00 3.38 -1.879000658e+00 -1.879000658e+00 3.40 -1.841662798e+00 -1.841662798e+00 3.42 -1.804899796e+00 -1.804899796e+00 3.44 -1.768723694e+00 -1.768723694e+00 3.46 -1.733144796e+00 -1.733144796e+00 3.48 -1.698171768e+00 -1.698171768e+00 3.50 -1.663811738e+00 -1.663811738e+00 3.52 -1.630070390e+00 -1.630070390e+00 3.54 -1.596952050e+00 -1.596952050e+00 3.56 -1.564459771e+00 -1.564459771e+00 3.58 -1.532595406e+00 -1.532595406e+00 3.60 -1.501359686e+00 -1.501359686e+00 3.62 -1.470752283e+00 -1.470752283e+00 3.64 -1.440771877e+00 -1.440771877e+00 3.66 -1.411416216e+00 -1.411416216e+00 3.68 -1.382682169e+00 -1.382682169e+00 3.70 -1.354565780e+00 -1.354565780e+00 3.72 -1.327062318e+00 -1.327062318e+00 3.74 -1.300166321e+00 -1.300166321e+00 3.76 -1.273871641e+00 -1.273871641e+00 3.78 -1.248171484e+00 -1.248171484e+00 3.80 -1.223058445e+00 -1.223058445e+00 3.82 -1.198524549e+00 -1.198524549e+00 3.84 -1.174561282e+00 -1.174561282e+00 3.86 -1.151159624e+00 -1.151159624e+00 3.88 -1.128310081e+00 -1.128310081e+00 3.90 -1.106002714e+00 -1.106002714e+00 3.92 -1.084227170e+00 -1.084227170e+00 3.94 -1.062972708e+00 -1.062972708e+00 3.96 -1.042228232e+00 -1.042228232e+00 3.98 -1.021982316e+00 -1.021982316e+00 4.00 -1.002223234e+00 -1.002223234e+00 4.02 -9.829389917e-01 -9.829389917e-01 4.04 -9.641173522e-01 -9.641173522e-01 4.06 -9.457458721e-01 -9.457458721e-01 4.08 -9.278119313e-01 -9.278119313e-01 4.10 -9.103027681e-01 -9.103027681e-01 4.12 -8.932055140e-01 -8.932055140e-01 4.14 -8.765072310e-01 -8.765072310e-01 4.16 -8.601949503e-01 -8.601949503e-01 4.18 -8.442557125e-01 -8.442557125e-01 4.20 -8.286766093e-01 -8.286766093e-01 4.22 -8.134448268e-01 -8.134448268e-01 4.24 -7.985476897e-01 -7.985476897e-01 4.26 -7.840321490e-01 -7.840321490e-01 4.28 -7.710860338e-01 -7.710860338e-01 4.30 -7.620175911e-01 -7.620175911e-01 4.32 -7.516822407e-01 -7.516822407e-01 4.34 -7.373168860e-01 -7.373168860e-01 4.36 -7.242110400e-01 -7.242110400e-01 4.38 -7.113147291e-01 -7.113147291e-01 4.40 -6.986241242e-01 -6.986241242e-01 4.42 -6.861356757e-01 -6.861356757e-01 4.44 -6.738461069e-01 -6.738461069e-01 4.46 -6.617524044e-01 -6.617524044e-01 4.48 -6.498518059e-01 -6.498518059e-01 4.50 -6.381417848e-01 -6.381417848e-01 4.52 -6.266200333e-01 -6.266200333e-01 4.54 -6.152844425e-01 -6.152844425e-01 4.56 -6.041330818e-01 -6.041330818e-01 4.58 -5.931641767e-01 -5.931641767e-01 4.60 -5.823760859e-01 -5.823760859e-01 4.62 -5.717672779e-01 -5.717672779e-01 4.64 -5.613363079e-01 -5.613363079e-01 4.66 -5.510817949e-01 -5.510817949e-01 4.68 -5.410023998e-01 -5.410023998e-01 4.70 -5.310968048e-01 -5.310968048e-01 4.72 -5.213636936e-01 -5.213636936e-01 4.74 -5.118017341e-01 -5.118017341e-01 4.76 -5.024095627e-01 -5.024095627e-01 4.78 -4.931857702e-01 -4.931857702e-01 4.80 -4.841288910e-01 -4.841288910e-01 4.82 -4.752373929e-01 -4.752373929e-01 4.84 -4.665096710e-01 -4.665096710e-01 4.86 -4.579440419e-01 -4.579440419e-01 4.88 -4.495387414e-01 -4.495387414e-01 4.90 -4.412919234e-01 -4.412919234e-01 4.92 -4.323770761e-01 -4.323770761e-01 4.94 -4.122749688e-01 -4.122749688e-01 4.96 -3.519994785e-01 -3.519994785e-01 4.98 -2.042156522e-01 -2.042156522e-01 5.00 -1.363344291e-22 -1.361857327e-22 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