# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ti-Ni # implementation = 2025--Sharifi-H--Fe-Ti-Ni--LAMMPS--ipr1 # composition = FeNi2Ti # 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 6.101870028e+02 6.101870028e+02 1.00 5.780870231e+02 5.780870231e+02 1.02 5.470744498e+02 5.470744498e+02 1.04 5.168736537e+02 5.168736537e+02 1.06 4.873529387e+02 4.873529387e+02 1.08 4.584773034e+02 4.584773034e+02 1.10 4.302731591e+02 4.302731591e+02 1.12 4.028024529e+02 4.028024529e+02 1.14 3.761440737e+02 3.761440737e+02 1.16 3.503808651e+02 3.503808651e+02 1.18 3.255909142e+02 3.255909142e+02 1.20 3.018420456e+02 3.018420456e+02 1.22 2.791886964e+02 2.791886964e+02 1.24 2.576705112e+02 2.576705112e+02 1.26 2.373121546e+02 2.373121546e+02 1.28 2.181239564e+02 2.181239564e+02 1.30 2.001030860e+02 2.001030860e+02 1.32 1.832350450e+02 1.832350450e+02 1.34 1.674953104e+02 1.674953104e+02 1.36 1.528510128e+02 1.528510128e+02 1.38 1.392625711e+02 1.392625711e+02 1.40 1.266852261e+02 1.266852261e+02 1.42 1.150704406e+02 1.150704406e+02 1.44 1.043671496e+02 1.043671496e+02 1.46 9.452285136e+01 9.452285136e+01 1.48 8.548454154e+01 8.548454154e+01 1.50 7.719949667e+01 7.719949667e+01 1.52 6.961591762e+01 6.961591762e+01 1.54 6.268344528e+01 6.268344528e+01 1.56 5.635355967e+01 5.635355967e+01 1.58 5.057987940e+01 5.057987940e+01 1.60 4.531837351e+01 4.531837351e+01 1.62 4.052749838e+01 4.052749838e+01 1.64 3.616827199e+01 3.616827199e+01 1.66 3.220429565e+01 3.220429565e+01 1.68 2.860173385e+01 2.860173385e+01 1.70 2.532926028e+01 2.532926028e+01 1.72 2.235797747e+01 2.235797747e+01 1.74 1.966131693e+01 1.966131693e+01 1.76 1.721490123e+01 1.721490123e+01 1.78 1.499635362e+01 1.499635362e+01 1.80 1.298516426e+01 1.298516426e+01 1.82 1.116258785e+01 1.116258785e+01 1.84 9.511534950e+00 9.511534950e+00 1.86 8.016460398e+00 8.016460398e+00 1.88 6.663252440e+00 6.663252440e+00 1.90 5.439121193e+00 5.439121193e+00 1.92 4.332483669e+00 4.332483669e+00 1.94 3.332851607e+00 3.332851607e+00 1.96 2.430689161e+00 2.430689161e+00 1.98 1.617291237e+00 1.617291237e+00 2.00 8.847094404e-01 8.847094404e-01 2.02 2.256873714e-01 2.256873714e-01 2.04 -3.663987173e-01 -3.663987173e-01 2.06 -8.975940789e-01 -8.975940789e-01 2.08 -1.373413606e+00 -1.373413606e+00 2.10 -1.798877699e+00 -1.798877699e+00 2.12 -2.178562055e+00 -2.178562055e+00 2.14 -2.516641674e+00 -2.516641674e+00 2.16 -2.816925171e+00 -2.816925171e+00 2.18 -3.082880274e+00 -3.082880274e+00 2.20 -3.317656599e+00 -3.317656599e+00 2.22 -3.524125934e+00 -3.524125934e+00 2.24 -3.704907899e+00 -3.704907899e+00 2.26 -3.862391464e+00 -3.862391464e+00 2.28 -3.998754635e+00 -3.998754635e+00 2.30 -4.115982488e+00 -4.115982488e+00 2.32 -4.215883721e+00 -4.215883721e+00 2.34 -4.300105792e+00 -4.300105792e+00 2.36 -4.370148800e+00 -4.370148800e+00 2.38 -4.427378208e+00 -4.427378208e+00 2.40 -4.473036475e+00 -4.473036475e+00 2.42 -4.508254653e+00 -4.508254653e+00 2.44 -4.534003989e+00 -4.534003989e+00 2.46 -4.551071811e+00 -4.551071811e+00 2.48 -4.560176765e+00 -4.560176765e+00 2.50 -4.561984356e+00 -4.561984356e+00 2.52 -4.557110950e+00 -4.557110950e+00 2.54 -4.546127472e+00 -4.546127472e+00 2.56 -4.529562807e+00 -4.529562807e+00 2.58 -4.507906936e+00 -4.507906936e+00 2.60 -4.481613837e+00 -4.481613837e+00 2.62 -4.451104150e+00 -4.451104150e+00 2.64 -4.416767650e+00 -4.416767650e+00 2.66 -4.378965521e+00 -4.378965521e+00 2.68 -4.338032462e+00 -4.338032462e+00 2.70 -4.294278638e+00 -4.294278638e+00 2.72 -4.247991476e+00 -4.247991476e+00 2.74 -4.199437332e+00 -4.199437332e+00 2.76 -4.148863024e+00 -4.148863024e+00 2.78 -4.096497255e+00 -4.096497255e+00 2.80 -4.042551920e+00 -4.042551920e+00 2.82 -3.987223307e+00 -3.987223307e+00 2.84 -3.930693206e+00 -3.930693206e+00 2.86 -3.873129934e+00 -3.873129934e+00 2.88 -3.814689274e+00 -3.814689274e+00 2.90 -3.755515347e+00 -3.755515347e+00 2.92 -3.695741421e+00 -3.695741421e+00 2.94 -3.635490658e+00 -3.635490658e+00 2.96 -3.574876817e+00 -3.574876817e+00 2.98 -3.514004897e+00 -3.514004897e+00 3.00 -3.452971748e+00 -3.452971748e+00 3.02 -3.391866633e+00 -3.391866633e+00 3.04 -3.330771750e+00 -3.330771750e+00 3.06 -3.269762717e+00 -3.269762717e+00 3.08 -3.208909026e+00 -3.208909026e+00 3.10 -3.148274459e+00 -3.148274459e+00 3.12 -3.087917477e+00 -3.087917477e+00 3.14 -3.027891579e+00 -3.027891579e+00 3.16 -2.968245643e+00 -2.968245643e+00 3.18 -2.909024232e+00 -2.909024232e+00 3.20 -2.850267891e+00 -2.850267891e+00 3.22 -2.792013420e+00 -2.792013420e+00 3.24 -2.734294129e+00 -2.734294129e+00 3.26 -2.677140079e+00 -2.677140079e+00 3.28 -2.620578310e+00 -2.620578310e+00 3.30 -2.564633057e+00 -2.564633057e+00 3.32 -2.509325950e+00 -2.509325950e+00 3.34 -2.454676216e+00 -2.454676216e+00 3.36 -2.400700859e+00 -2.400700859e+00 3.38 -2.347414847e+00 -2.347414847e+00 3.40 -2.294831287e+00 -2.294831287e+00 3.42 -2.242961597e+00 -2.242961597e+00 3.44 -2.191815678e+00 -2.191815678e+00 3.46 -2.141402086e+00 -2.141402086e+00 3.48 -2.091728198e+00 -2.091728198e+00 3.50 -2.042800386e+00 -2.042800386e+00 3.52 -1.994624187e+00 -1.994624187e+00 3.54 -1.947204473e+00 -1.947204473e+00 3.56 -1.900545621e+00 -1.900545621e+00 3.58 -1.854651680e+00 -1.854651680e+00 3.60 -1.809526522e+00 -1.809526522e+00 3.62 -1.765173994e+00 -1.765173994e+00 3.64 -1.721598039e+00 -1.721598039e+00 3.66 -1.678802793e+00 -1.678802793e+00 3.68 -1.636792646e+00 -1.636792646e+00 3.70 -1.595572258e+00 -1.595572258e+00 3.72 -1.555146520e+00 -1.555146520e+00 3.74 -1.515520448e+00 -1.515520448e+00 3.76 -1.476699013e+00 -1.476699013e+00 3.78 -1.438686905e+00 -1.438686905e+00 3.80 -1.401488236e+00 -1.401488236e+00 3.82 -1.365106189e+00 -1.365106189e+00 3.84 -1.329542645e+00 -1.329542645e+00 3.86 -1.294797807e+00 -1.294797807e+00 3.88 -1.260869853e+00 -1.260869853e+00 3.90 -1.227754651e+00 -1.227754651e+00 3.92 -1.195445567e+00 -1.195445567e+00 3.94 -1.163933385e+00 -1.163933385e+00 3.96 -1.133206363e+00 -1.133206363e+00 3.98 -1.103250409e+00 -1.103250409e+00 4.00 -1.074049388e+00 -1.074049388e+00 4.02 -1.045585518e+00 -1.045585518e+00 4.04 -1.017839835e+00 -1.017839835e+00 4.06 -9.907926869e-01 -9.907926869e-01 4.08 -9.644242213e-01 -9.644242213e-01 4.10 -9.387148284e-01 -9.387148284e-01 4.12 -9.136455176e-01 -9.136455176e-01 4.14 -8.891982047e-01 -8.891982047e-01 4.16 -8.653559033e-01 -8.653559033e-01 4.18 -8.421028196e-01 -8.421028196e-01 4.20 -8.194243617e-01 -8.194243617e-01 4.22 -7.973070771e-01 -7.973070771e-01 4.24 -7.757385404e-01 -7.757385404e-01 4.26 -7.546529280e-01 -7.546529280e-01 4.28 -7.329565459e-01 -7.329565459e-01 4.30 -7.077781928e-01 -7.077781928e-01 4.32 -6.785739131e-01 -6.785739131e-01 4.34 -6.572295810e-01 -6.572295810e-01 4.36 -6.393340802e-01 -6.393340802e-01 4.38 -6.219021561e-01 -6.219021561e-01 4.40 -6.049252443e-01 -6.049252443e-01 4.42 -5.883949233e-01 -5.883949233e-01 4.44 -5.723029007e-01 -5.723029007e-01 4.46 -5.566410075e-01 -5.566410075e-01 4.48 -5.414011964e-01 -5.414011964e-01 4.50 -5.265755421e-01 -5.265755421e-01 4.52 -5.121562427e-01 -5.121562427e-01 4.54 -4.981356222e-01 -4.981356222e-01 4.56 -4.845061318e-01 -4.845061318e-01 4.58 -4.712603520e-01 -4.712603520e-01 4.60 -4.583909939e-01 -4.583909939e-01 4.62 -4.458909011e-01 -4.458909011e-01 4.64 -4.337530500e-01 -4.337530500e-01 4.66 -4.219705512e-01 -4.219705512e-01 4.68 -4.105366501e-01 -4.105366501e-01 4.70 -3.994447268e-01 -3.994447268e-01 4.72 -3.886882971e-01 -3.886882971e-01 4.74 -3.782610116e-01 -3.782610116e-01 4.76 -3.681566560e-01 -3.681566560e-01 4.78 -3.583691504e-01 -3.583691504e-01 4.80 -3.488925484e-01 -3.488925484e-01 4.82 -3.397210364e-01 -3.397210364e-01 4.84 -3.308489323e-01 -3.308489323e-01 4.86 -3.222706839e-01 -3.222706839e-01 4.88 -3.139808672e-01 -3.139808672e-01 4.90 -3.059741844e-01 -3.059741844e-01 4.92 -2.979785428e-01 -2.979785428e-01 4.94 -2.865151312e-01 -2.865151312e-01 4.96 -2.586659629e-01 -2.586659629e-01 4.98 -1.717716563e-01 -1.717716563e-01 5.00 -3.141908694e-22 -3.142501897e-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 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