# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Al-Mn # implementation = 2025--Sharifi-H--Ni-Al-Mn--LAMMPS--ipr1 # composition = Al2MnNi # 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 5.791166033e+02 5.791166033e+02 1.00 5.279611997e+02 5.279611997e+02 1.02 4.809337899e+02 4.809337899e+02 1.04 4.377957551e+02 4.377957551e+02 1.06 3.982905244e+02 3.982905244e+02 1.08 3.621584471e+02 3.621584471e+02 1.10 3.291457277e+02 3.291457277e+02 1.12 2.990094742e+02 2.990094742e+02 1.14 2.715202729e+02 2.715202729e+02 1.16 2.464632267e+02 2.464632267e+02 1.18 2.236380783e+02 2.236380783e+02 1.20 2.028588199e+02 2.028588199e+02 1.22 1.839530376e+02 1.839530376e+02 1.24 1.667611441e+02 1.667611441e+02 1.26 1.511355865e+02 1.511355865e+02 1.28 1.369400725e+02 1.369400725e+02 1.30 1.240488415e+02 1.240488415e+02 1.32 1.123459806e+02 1.123459806e+02 1.34 1.017247885e+02 1.017247885e+02 1.36 9.208718047e+01 9.208718047e+01 1.38 8.334312904e+01 8.334312904e+01 1.40 7.541013486e+01 7.541013486e+01 1.42 6.821272404e+01 6.821272404e+01 1.44 6.168196702e+01 6.168196702e+01 1.46 5.575501645e+01 5.575501645e+01 1.48 5.037466627e+01 5.037466627e+01 1.50 4.548893226e+01 4.548893226e+01 1.52 4.105064887e+01 4.105064887e+01 1.54 3.701708422e+01 3.701708422e+01 1.56 3.334957485e+01 3.334957485e+01 1.58 3.001318085e+01 3.001318085e+01 1.60 2.697636073e+01 2.697636073e+01 1.62 2.421066736e+01 2.421066736e+01 1.64 2.169046448e+01 2.169046448e+01 1.66 1.939266329e+01 1.939266329e+01 1.68 1.729647954e+01 1.729647954e+01 1.70 1.538320980e+01 1.538320980e+01 1.72 1.363602647e+01 1.363602647e+01 1.74 1.203979094e+01 1.203979094e+01 1.76 1.058088469e+01 1.058088469e+01 1.78 9.247068915e+00 9.247068915e+00 1.80 8.027327326e+00 8.027327326e+00 1.82 6.911734592e+00 6.911734592e+00 1.84 5.891345439e+00 5.891345439e+00 1.86 4.958063751e+00 4.958063751e+00 1.88 4.104530040e+00 4.104530040e+00 1.90 3.324054852e+00 3.324054852e+00 1.92 2.610561342e+00 2.610561342e+00 1.94 1.958530363e+00 1.958530363e+00 1.96 1.362931107e+00 1.362931107e+00 1.98 8.191571596e-01 8.191571596e-01 2.00 3.229876540e-01 3.229876540e-01 2.02 -1.294450424e-01 -1.294450424e-01 2.04 -5.416825732e-01 -5.416825732e-01 2.06 -9.169507176e-01 -9.169507176e-01 2.08 -1.258198935e+00 -1.258198935e+00 2.10 -1.568134520e+00 -1.568134520e+00 2.12 -1.849242937e+00 -1.849242937e+00 2.14 -2.103806401e+00 -2.103806401e+00 2.16 -2.333920928e+00 -2.333920928e+00 2.18 -2.541511971e+00 -2.541511971e+00 2.20 -2.728348752e+00 -2.728348752e+00 2.22 -2.896057403e+00 -2.896057403e+00 2.24 -3.046132994e+00 -3.046132994e+00 2.26 -3.179950556e+00 -3.179950556e+00 2.28 -3.298774898e+00 -3.298774898e+00 2.30 -3.403720944e+00 -3.403720944e+00 2.32 -3.495718642e+00 -3.495718642e+00 2.34 -3.575630295e+00 -3.575630295e+00 2.36 -3.644269297e+00 -3.644269297e+00 2.38 -3.702402742e+00 -3.702402742e+00 2.40 -3.750753908e+00 -3.750753908e+00 2.42 -3.790004609e+00 -3.790004609e+00 2.44 -3.820797430e+00 -3.820797430e+00 2.46 -3.843737857e+00 -3.843737857e+00 2.48 -3.859399309e+00 -3.859399309e+00 2.50 -3.868362995e+00 -3.868362995e+00 2.52 -3.871227699e+00 -3.871227699e+00 2.54 -3.868555403e+00 -3.868555403e+00 2.56 -3.860863555e+00 -3.860863555e+00 2.58 -3.848628478e+00 -3.848628478e+00 2.60 -3.832288502e+00 -3.832288502e+00 2.62 -3.812246830e+00 -3.812246830e+00 2.64 -3.788874161e+00 -3.788874161e+00 2.66 -3.762511098e+00 -3.762511098e+00 2.68 -3.733470336e+00 -3.733470336e+00 2.70 -3.702038680e+00 -3.702038680e+00 2.72 -3.668478892e+00 -3.668478892e+00 2.74 -3.633031413e+00 -3.633031413e+00 2.76 -3.595915982e+00 -3.595915982e+00 2.78 -3.557333170e+00 -3.557333170e+00 2.80 -3.517465865e+00 -3.517465865e+00 2.82 -3.476480719e+00 -3.476480719e+00 2.84 -3.434529541e+00 -3.434529541e+00 2.86 -3.391750653e+00 -3.391750653e+00 2.88 -3.348270175e+00 -3.348270175e+00 2.90 -3.304203226e+00 -3.304203226e+00 2.92 -3.259655017e+00 -3.259655017e+00 2.94 -3.214721824e+00 -3.214721824e+00 2.96 -3.169491835e+00 -3.169491835e+00 2.98 -3.124045876e+00 -3.124045876e+00 3.00 -3.078458024e+00 -3.078458024e+00 3.02 -3.032796133e+00 -3.032796133e+00 3.04 -2.987122278e+00 -2.987122278e+00 3.06 -2.941493155e+00 -2.941493155e+00 3.08 -2.895960446e+00 -2.895960446e+00 3.10 -2.850571149e+00 -2.850571149e+00 3.12 -2.805367909e+00 -2.805367909e+00 3.14 -2.760389321e+00 -2.760389321e+00 3.16 -2.715670238e+00 -2.715670238e+00 3.18 -2.671242053e+00 -2.671242053e+00 3.20 -2.627132976e+00 -2.627132976e+00 3.22 -2.583368288e+00 -2.583368288e+00 3.24 -2.539970586e+00 -2.539970586e+00 3.26 -2.496960000e+00 -2.496960000e+00 3.28 -2.454354403e+00 -2.454354403e+00 3.30 -2.412169601e+00 -2.412169601e+00 3.32 -2.370419502e+00 -2.370419502e+00 3.34 -2.329116285e+00 -2.329116285e+00 3.36 -2.288270539e+00 -2.288270539e+00 3.38 -2.247891403e+00 -2.247891403e+00 3.40 -2.207986692e+00 -2.207986692e+00 3.42 -2.168563006e+00 -2.168563006e+00 3.44 -2.129625840e+00 -2.129625840e+00 3.46 -2.091179677e+00 -2.091179677e+00 3.48 -2.053228078e+00 -2.053228078e+00 3.50 -2.015773762e+00 -2.015773762e+00 3.52 -1.978818684e+00 -1.978818684e+00 3.54 -1.942364098e+00 -1.942364098e+00 3.56 -1.906410623e+00 -1.906410623e+00 3.58 -1.870958300e+00 -1.870958300e+00 3.60 -1.836006645e+00 -1.836006645e+00 3.62 -1.801554695e+00 -1.801554695e+00 3.64 -1.767601056e+00 -1.767601056e+00 3.66 -1.734143940e+00 -1.734143940e+00 3.68 -1.701181204e+00 -1.701181204e+00 3.70 -1.668710383e+00 -1.668710383e+00 3.72 -1.636728723e+00 -1.636728723e+00 3.74 -1.605233207e+00 -1.605233207e+00 3.76 -1.574220583e+00 -1.574220583e+00 3.78 -1.543687387e+00 -1.543687387e+00 3.80 -1.513629964e+00 -1.513629964e+00 3.82 -1.484044491e+00 -1.484044491e+00 3.84 -1.454926992e+00 -1.454926992e+00 3.86 -1.426273354e+00 -1.426273354e+00 3.88 -1.398079347e+00 -1.398079347e+00 3.90 -1.370340633e+00 -1.370340633e+00 3.92 -1.343052781e+00 -1.343052781e+00 3.94 -1.316211279e+00 -1.316211279e+00 3.96 -1.289811543e+00 -1.289811543e+00 3.98 -1.263848929e+00 -1.263848929e+00 4.00 -1.238318737e+00 -1.238318737e+00 4.02 -1.213216225e+00 -1.213216225e+00 4.04 -1.188536614e+00 -1.188536614e+00 4.06 -1.164275093e+00 -1.164275093e+00 4.08 -1.140426826e+00 -1.140426826e+00 4.10 -1.116986960e+00 -1.116986960e+00 4.12 -1.093950627e+00 -1.093950627e+00 4.14 -1.071312948e+00 -1.071312948e+00 4.16 -1.049069043e+00 -1.049069043e+00 4.18 -1.027214026e+00 -1.027214026e+00 4.20 -1.005743017e+00 -1.005743017e+00 4.22 -9.846511395e-01 -9.846511395e-01 4.24 -9.639335263e-01 -9.639335263e-01 4.26 -9.429217857e-01 -9.429217857e-01 4.28 -9.079337897e-01 -9.079337897e-01 4.30 -8.176756427e-01 -8.176756427e-01 4.32 -6.484057428e-01 -6.484057428e-01 4.34 -5.828347763e-01 -5.828347763e-01 4.36 -5.676971054e-01 -5.676971054e-01 4.38 -5.528848280e-01 -5.528848280e-01 4.40 -5.383930373e-01 -5.383930373e-01 4.42 -5.242168631e-01 -5.242168631e-01 4.44 -5.103514668e-01 -5.103514668e-01 4.46 -4.967920366e-01 -4.967920366e-01 4.48 -4.835337843e-01 -4.835337843e-01 4.50 -4.705719416e-01 -4.705719416e-01 4.52 -4.579017583e-01 -4.579017583e-01 4.54 -4.455184999e-01 -4.455184999e-01 4.56 -4.334174471e-01 -4.334174471e-01 4.58 -4.215938946e-01 -4.215938946e-01 4.60 -4.100431515e-01 -4.100431515e-01 4.62 -3.987605411e-01 -3.987605411e-01 4.64 -3.877414023e-01 -3.877414023e-01 4.66 -3.769810903e-01 -3.769810903e-01 4.68 -3.664749782e-01 -3.664749782e-01 4.70 -3.562184587e-01 -3.562184587e-01 4.72 -3.462069463e-01 -3.462069463e-01 4.74 -3.364358791e-01 -3.364358791e-01 4.76 -3.269007210e-01 -3.269007210e-01 4.78 -3.175969647e-01 -3.175969647e-01 4.80 -3.085201331e-01 -3.085201331e-01 4.82 -2.996657827e-01 -2.996657827e-01 4.84 -2.910295055e-01 -2.910295055e-01 4.86 -2.826069312e-01 -2.826069312e-01 4.88 -2.743937302e-01 -2.743937302e-01 4.90 -2.663856153e-01 -2.663856153e-01 4.92 -2.586079284e-01 -2.586079284e-01 4.94 -2.513046833e-01 -2.513046833e-01 4.96 -2.393334060e-01 -2.393334060e-01 4.98 -1.767713690e-01 -1.767713690e-01 5.00 -4.103681663e-22 -4.106347256e-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