# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Mn # implementation = 2025--Sharifi-H--Ni-Co-Mn--LAMMPS--ipr1 # composition = CoMnNi2 # 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 1.027075068e+03 1.027075068e+03 1.00 9.291789698e+02 9.291789698e+02 1.02 8.351478697e+02 8.351478697e+02 1.04 7.466123424e+02 7.466123424e+02 1.06 6.645077181e+02 6.645077181e+02 1.08 5.892752520e+02 5.892752520e+02 1.10 5.210052733e+02 5.210052733e+02 1.12 4.595454989e+02 4.595454989e+02 1.14 4.045823987e+02 4.045823987e+02 1.16 3.557017736e+02 3.557017736e+02 1.18 3.124332404e+02 3.124332404e+02 1.20 2.742824233e+02 2.742824233e+02 1.22 2.407537499e+02 2.407537499e+02 1.24 2.113661166e+02 2.113661166e+02 1.26 1.856632042e+02 1.856632042e+02 1.28 1.632198009e+02 1.632198009e+02 1.30 1.436451990e+02 1.436451990e+02 1.32 1.265844712e+02 1.265844712e+02 1.34 1.117182510e+02 1.117182510e+02 1.36 9.876149271e+01 9.876149271e+01 1.38 8.746155765e+01 8.746155765e+01 1.40 7.759590112e+01 7.759590112e+01 1.42 6.896955093e+01 6.896955093e+01 1.44 6.141251506e+01 6.141251506e+01 1.46 5.477722550e+01 5.477722550e+01 1.48 4.893607961e+01 4.893607961e+01 1.50 4.377912491e+01 4.377912491e+01 1.52 3.921191651e+01 3.921191651e+01 1.54 3.515355542e+01 3.515355542e+01 1.56 3.153491397e+01 3.153491397e+01 1.58 2.829704715e+01 2.829704715e+01 1.60 2.538977952e+01 2.538977952e+01 1.62 2.277045797e+01 2.277045797e+01 1.64 2.040285751e+01 2.040285751e+01 1.66 1.825622678e+01 1.825622678e+01 1.68 1.630446093e+01 1.630446093e+01 1.70 1.452537792e+01 1.452537792e+01 1.72 1.290007388e+01 1.290007388e+01 1.74 1.141239993e+01 1.141239993e+01 1.76 1.004850925e+01 1.004850925e+01 1.78 8.796441943e+00 8.796441943e+00 1.80 7.645801845e+00 7.645801845e+00 1.82 6.587502135e+00 6.587502135e+00 1.84 5.613560762e+00 5.613560762e+00 1.86 4.716928880e+00 4.716928880e+00 1.88 3.891347565e+00 3.891347565e+00 1.90 3.131228458e+00 3.131228458e+00 1.92 2.431554662e+00 2.431554662e+00 1.94 1.787798689e+00 1.787798689e+00 1.96 1.195854572e+00 1.195854572e+00 1.98 6.519794793e-01 6.519794793e-01 2.00 1.527278140e-01 1.527278140e-01 2.02 -3.050952092e-01 -3.050952092e-01 2.04 -7.244538310e-01 -7.244538310e-01 2.06 -1.108098936e+00 -1.108098936e+00 2.08 -1.458583988e+00 -1.458583988e+00 2.10 -1.778278549e+00 -1.778278549e+00 2.12 -2.069355651e+00 -2.069355651e+00 2.14 -2.333811292e+00 -2.333811292e+00 2.16 -2.573507099e+00 -2.573507099e+00 2.18 -2.790180216e+00 -2.790180216e+00 2.20 -2.985451030e+00 -2.985451030e+00 2.22 -3.160832764e+00 -3.160832764e+00 2.24 -3.317739016e+00 -3.317739016e+00 2.26 -3.457490506e+00 -3.457490506e+00 2.28 -3.581321361e+00 -3.581321361e+00 2.30 -3.690384704e+00 -3.690384704e+00 2.32 -3.785748988e+00 -3.785748988e+00 2.34 -3.868402376e+00 -3.868402376e+00 2.36 -3.939270163e+00 -3.939270163e+00 2.38 -3.999219596e+00 -3.999219596e+00 2.40 -4.049063551e+00 -4.049063551e+00 2.42 -4.089563942e+00 -4.089563942e+00 2.44 -4.121434890e+00 -4.121434890e+00 2.46 -4.145345779e+00 -4.145345779e+00 2.48 -4.161925300e+00 -4.161925300e+00 2.50 -4.171763496e+00 -4.171763496e+00 2.52 -4.175412858e+00 -4.175412858e+00 2.54 -4.173390558e+00 -4.173390558e+00 2.56 -4.166180568e+00 -4.166180568e+00 2.58 -4.154235624e+00 -4.154235624e+00 2.60 -4.137979040e+00 -4.137979040e+00 2.62 -4.117806400e+00 -4.117806400e+00 2.64 -4.094087099e+00 -4.094087099e+00 2.66 -4.067165785e+00 -4.067165785e+00 2.68 -4.037363676e+00 -4.037363676e+00 2.70 -4.004979788e+00 -4.004979788e+00 2.72 -3.970292077e+00 -3.970292077e+00 2.74 -3.933558528e+00 -3.933558528e+00 2.76 -3.895018183e+00 -3.895018183e+00 2.78 -3.854892166e+00 -3.854892166e+00 2.80 -3.813384679e+00 -3.813384679e+00 2.82 -3.770684007e+00 -3.770684007e+00 2.84 -3.726963515e+00 -3.726963515e+00 2.86 -3.682382633e+00 -3.682382633e+00 2.88 -3.637087810e+00 -3.637087810e+00 2.90 -3.591213422e+00 -3.591213422e+00 2.92 -3.544882611e+00 -3.544882611e+00 2.94 -3.498208040e+00 -3.498208040e+00 2.96 -3.451292560e+00 -3.451292560e+00 2.98 -3.404229792e+00 -3.404229792e+00 3.00 -3.357104627e+00 -3.357104627e+00 3.02 -3.309993661e+00 -3.309993661e+00 3.04 -3.262965576e+00 -3.262965576e+00 3.06 -3.216081495e+00 -3.216081495e+00 3.08 -3.169395308e+00 -3.169395308e+00 3.10 -3.122953992e+00 -3.122953992e+00 3.12 -3.076797931e+00 -3.076797931e+00 3.14 -3.030961243e+00 -3.030961243e+00 3.16 -2.985472100e+00 -2.985472100e+00 3.18 -2.940353074e+00 -2.940353074e+00 3.20 -2.895621477e+00 -2.895621477e+00 3.22 -2.851289719e+00 -2.851289719e+00 3.24 -2.807365676e+00 -2.807365676e+00 3.26 -2.763853072e+00 -2.763853072e+00 3.28 -2.720751878e+00 -2.720751878e+00 3.30 -2.678058736e+00 -2.678058736e+00 3.32 -2.635767391e+00 -2.635767391e+00 3.34 -2.593869159e+00 -2.593869159e+00 3.36 -2.552353404e+00 -2.552353404e+00 3.38 -2.511208040e+00 -2.511208040e+00 3.40 -2.470420035e+00 -2.470420035e+00 3.42 -2.429975936e+00 -2.429975936e+00 3.44 -2.389862378e+00 -2.389862378e+00 3.46 -2.350066588e+00 -2.350066588e+00 3.48 -2.310576860e+00 -2.310576860e+00 3.50 -2.271382996e+00 -2.271382996e+00 3.52 -2.232476688e+00 -2.232476688e+00 3.54 -2.193851849e+00 -2.193851849e+00 3.56 -2.155504851e+00 -2.155504851e+00 3.58 -2.117434695e+00 -2.117434695e+00 3.60 -2.079643071e+00 -2.079643071e+00 3.62 -2.042134346e+00 -2.042134346e+00 3.64 -2.004915436e+00 -2.004915436e+00 3.66 -1.967995612e+00 -1.967995612e+00 3.68 -1.931386219e+00 -1.931386219e+00 3.70 -1.895100342e+00 -1.895100342e+00 3.72 -1.859152417e+00 -1.859152417e+00 3.74 -1.823557828e+00 -1.823557828e+00 3.76 -1.788332488e+00 -1.788332488e+00 3.78 -1.753492427e+00 -1.753492427e+00 3.80 -1.719053416e+00 -1.719053416e+00 3.82 -1.685030618e+00 -1.685030618e+00 3.84 -1.651438291e+00 -1.651438291e+00 3.86 -1.618289547e+00 -1.618289547e+00 3.88 -1.585596169e+00 -1.585596169e+00 3.90 -1.553368479e+00 -1.553368479e+00 3.92 -1.521615271e+00 -1.521615271e+00 3.94 -1.490343784e+00 -1.490343784e+00 3.96 -1.459559724e+00 -1.459559724e+00 3.98 -1.429267323e+00 -1.429267323e+00 4.00 -1.399469423e+00 -1.399469423e+00 4.02 -1.370167580e+00 -1.370167580e+00 4.04 -1.341362184e+00 -1.341362184e+00 4.06 -1.313052584e+00 -1.313052584e+00 4.08 -1.285237215e+00 -1.285237215e+00 4.10 -1.257913718e+00 -1.257913718e+00 4.12 -1.231079054e+00 -1.231079054e+00 4.14 -1.204729612e+00 -1.204729612e+00 4.16 -1.178861301e+00 -1.178861301e+00 4.18 -1.153469631e+00 -1.153469631e+00 4.20 -1.128549784e+00 -1.128549784e+00 4.22 -1.104096671e+00 -1.104096671e+00 4.24 -1.080104984e+00 -1.080104984e+00 4.26 -1.056462679e+00 -1.056462679e+00 4.28 -1.031056290e+00 -1.031056290e+00 4.30 -9.983402957e-01 -9.983402957e-01 4.32 -9.571134236e-01 -9.571134236e-01 4.34 -9.308453513e-01 -9.308453513e-01 4.36 -9.109131646e-01 -9.109131646e-01 4.38 -8.913495899e-01 -8.913495899e-01 4.40 -8.721502094e-01 -8.721502094e-01 4.42 -8.533105121e-01 -8.533105121e-01 4.44 -8.348259044e-01 -8.348259044e-01 4.46 -8.166917203e-01 -8.166917203e-01 4.48 -7.989032314e-01 -7.989032314e-01 4.50 -7.814556573e-01 -7.814556573e-01 4.52 -7.643441752e-01 -7.643441752e-01 4.54 -7.475639297e-01 -7.475639297e-01 4.56 -7.311100425e-01 -7.311100425e-01 4.58 -7.149776220e-01 -7.149776220e-01 4.60 -6.991617718e-01 -6.991617718e-01 4.62 -6.836575998e-01 -6.836575998e-01 4.64 -6.684602256e-01 -6.684602256e-01 4.66 -6.535647882e-01 -6.535647882e-01 4.68 -6.389664522e-01 -6.389664522e-01 4.70 -6.246604139e-01 -6.246604139e-01 4.72 -6.106419057e-01 -6.106419057e-01 4.74 -5.969062004e-01 -5.969062004e-01 4.76 -5.834486147e-01 -5.834486147e-01 4.78 -5.702645115e-01 -5.702645115e-01 4.80 -5.573493018e-01 -5.573493018e-01 4.82 -5.446984461e-01 -5.446984461e-01 4.84 -5.323074553e-01 -5.323074553e-01 4.86 -5.201718907e-01 -5.201718907e-01 4.88 -5.082873643e-01 -5.082873643e-01 4.90 -4.966495388e-01 -4.966495388e-01 4.92 -4.839090657e-01 -4.839090657e-01 4.94 -4.532277673e-01 -4.532277673e-01 4.96 -3.637316780e-01 -3.637316780e-01 4.98 -1.794935710e-01 -1.794935710e-01 5.00 -5.342327910e-23 -5.336705422e-23 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