# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Mn # implementation = 2025--Sharifi-H--Cr-Ni-Mn--LAMMPS--ipr1 # composition = CrMnNi2 # 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 8.840606936e+02 8.840606936e+02 1.00 8.157044207e+02 8.157044207e+02 1.02 7.472517213e+02 7.472517213e+02 1.04 6.805954927e+02 6.805954927e+02 1.06 6.169880373e+02 6.169880373e+02 1.08 5.572130860e+02 5.572130860e+02 1.10 5.017082362e+02 5.017082362e+02 1.12 4.506589946e+02 4.506589946e+02 1.14 4.040707543e+02 4.040707543e+02 1.16 3.618234282e+02 3.618234282e+02 1.18 3.238574413e+02 3.238574413e+02 1.20 2.900003819e+02 2.900003819e+02 1.22 2.598389864e+02 2.598389864e+02 1.24 2.329860255e+02 2.329860255e+02 1.26 2.090842714e+02 2.090842714e+02 1.28 1.878074903e+02 1.878074903e+02 1.30 1.688601742e+02 1.688601742e+02 1.32 1.519764216e+02 1.519764216e+02 1.34 1.369182814e+02 1.369182814e+02 1.36 1.234737778e+02 1.234737778e+02 1.38 1.114547985e+02 1.114547985e+02 1.40 1.006949447e+02 1.006949447e+02 1.42 9.104741416e+01 9.104741416e+01 1.44 8.238297077e+01 8.238297077e+01 1.46 7.458804051e+01 7.458804051e+01 1.48 6.756294548e+01 6.756294548e+01 1.50 6.122028691e+01 6.122028691e+01 1.52 5.548348026e+01 5.548348026e+01 1.54 5.028544639e+01 5.028544639e+01 1.56 4.556744024e+01 4.556744024e+01 1.58 4.127797817e+01 4.127797817e+01 1.60 3.737190276e+01 3.737190276e+01 1.62 3.380956955e+01 3.380956955e+01 1.64 3.055613336e+01 3.055613336e+01 1.66 2.758092401e+01 2.758092401e+01 1.68 2.485690225e+01 2.485690225e+01 1.70 2.236018636e+01 2.236018636e+01 1.72 2.006964149e+01 2.006964149e+01 1.74 1.796652402e+01 1.796652402e+01 1.76 1.603417242e+01 1.603417242e+01 1.78 1.425774481e+01 1.425774481e+01 1.80 1.262397869e+01 1.262397869e+01 1.82 1.112098272e+01 1.112098272e+01 1.84 9.738067172e+00 9.738067172e+00 1.86 8.465598984e+00 8.465598984e+00 1.88 7.294877830e+00 7.294877830e+00 1.90 6.218029716e+00 6.218029716e+00 1.92 5.227915572e+00 5.227915572e+00 1.94 4.318052500e+00 4.318052500e+00 1.96 3.482545603e+00 3.482545603e+00 1.98 2.716026172e+00 2.716026172e+00 2.00 2.013566687e+00 2.013566687e+00 2.02 1.370594031e+00 1.370594031e+00 2.04 7.828542347e-01 7.828542347e-01 2.06 2.463898000e-01 2.463898000e-01 2.08 -2.424813603e-01 -2.424813603e-01 2.10 -6.871854645e-01 -6.871854645e-01 2.12 -1.090911099e+00 -1.090911099e+00 2.14 -1.456626140e+00 -1.456626140e+00 2.16 -1.787093458e+00 -1.787093458e+00 2.18 -2.084884874e+00 -2.084884874e+00 2.20 -2.352394012e+00 -2.352394012e+00 2.22 -2.591840897e+00 -2.591840897e+00 2.24 -2.805248567e+00 -2.805248567e+00 2.26 -2.994495931e+00 -2.994495931e+00 2.28 -3.161343361e+00 -3.161343361e+00 2.30 -3.307440041e+00 -3.307440041e+00 2.32 -3.434330803e+00 -3.434330803e+00 2.34 -3.543462524e+00 -3.543462524e+00 2.36 -3.636190109e+00 -3.636190109e+00 2.38 -3.713787898e+00 -3.713787898e+00 2.40 -3.777642308e+00 -3.777642308e+00 2.42 -3.829248212e+00 -3.829248212e+00 2.44 -3.869953077e+00 -3.869953077e+00 2.46 -3.900958154e+00 -3.900958154e+00 2.48 -3.923336204e+00 -3.923336204e+00 2.50 -3.938045724e+00 -3.938045724e+00 2.52 -3.945942892e+00 -3.945942892e+00 2.54 -3.947793358e+00 -3.947793358e+00 2.56 -3.944282736e+00 -3.944282736e+00 2.58 -3.936025851e+00 -3.936025851e+00 2.60 -3.923574858e+00 -3.923574858e+00 2.62 -3.907426354e+00 -3.907426354e+00 2.64 -3.888027602e+00 -3.888027602e+00 2.66 -3.865781970e+00 -3.865781970e+00 2.68 -3.841053700e+00 -3.841053700e+00 2.70 -3.814172069e+00 -3.814172069e+00 2.72 -3.785435024e+00 -3.785435024e+00 2.74 -3.755112353e+00 -3.755112353e+00 2.76 -3.723448416e+00 -3.723448416e+00 2.78 -3.690664486e+00 -3.690664486e+00 2.80 -3.656960731e+00 -3.656960731e+00 2.82 -3.622517818e+00 -3.622517818e+00 2.84 -3.587498174e+00 -3.587498174e+00 2.86 -3.552046855e+00 -3.552046855e+00 2.88 -3.516292003e+00 -3.516292003e+00 2.90 -3.480344863e+00 -3.480344863e+00 2.92 -3.444299313e+00 -3.444299313e+00 2.94 -3.408230885e+00 -3.408230885e+00 2.96 -3.372195295e+00 -3.372195295e+00 2.98 -3.336226518e+00 -3.336226518e+00 3.00 -3.300334534e+00 -3.300334534e+00 3.02 -3.264500658e+00 -3.264500658e+00 3.04 -3.228653559e+00 -3.228653559e+00 3.06 -3.192713906e+00 -3.192713906e+00 3.08 -3.156679061e+00 -3.156679061e+00 3.10 -3.120345836e+00 -3.120345836e+00 3.12 -3.083554462e+00 -3.083554462e+00 3.14 -3.046129842e+00 -3.046129842e+00 3.16 -3.007891529e+00 -3.007891529e+00 3.18 -2.968668323e+00 -2.968668323e+00 3.20 -2.928315052e+00 -2.928315052e+00 3.22 -2.886729408e+00 -2.886729408e+00 3.24 -2.843866020e+00 -2.843866020e+00 3.26 -2.799744687e+00 -2.799744687e+00 3.28 -2.754450500e+00 -2.754450500e+00 3.30 -2.708125172e+00 -2.708125172e+00 3.32 -2.660951076e+00 -2.660951076e+00 3.34 -2.613131285e+00 -2.613131285e+00 3.36 -2.564869700e+00 -2.564869700e+00 3.38 -2.516354905e+00 -2.516354905e+00 3.40 -2.467749889e+00 -2.467749889e+00 3.42 -2.419188025e+00 -2.419188025e+00 3.44 -2.370774188e+00 -2.370774188e+00 3.46 -2.322589121e+00 -2.322589121e+00 3.48 -2.274695062e+00 -2.274695062e+00 3.50 -2.227141117e+00 -2.227141117e+00 3.52 -2.179967543e+00 -2.179967543e+00 3.54 -2.133208703e+00 -2.133208703e+00 3.56 -2.086894877e+00 -2.086894877e+00 3.58 -2.041053276e+00 -2.041053276e+00 3.60 -1.995708572e+00 -1.995708572e+00 3.62 -1.950883188e+00 -1.950883188e+00 3.64 -1.906597473e+00 -1.906597473e+00 3.66 -1.862869834e+00 -1.862869834e+00 3.68 -1.819716848e+00 -1.819716848e+00 3.70 -1.777153366e+00 -1.777153366e+00 3.72 -1.735192608e+00 -1.735192608e+00 3.74 -1.693846255e+00 -1.693846255e+00 3.76 -1.653124535e+00 -1.653124535e+00 3.78 -1.613036305e+00 -1.613036305e+00 3.80 -1.573589124e+00 -1.573589124e+00 3.82 -1.534789331e+00 -1.534789331e+00 3.84 -1.496642114e+00 -1.496642114e+00 3.86 -1.459151571e+00 -1.459151571e+00 3.88 -1.422320780e+00 -1.422320780e+00 3.90 -1.386151852e+00 -1.386151852e+00 3.92 -1.350645993e+00 -1.350645993e+00 3.94 -1.315803556e+00 -1.315803556e+00 3.96 -1.281624093e+00 -1.281624093e+00 3.98 -1.248106403e+00 -1.248106403e+00 4.00 -1.215248583e+00 -1.215248583e+00 4.02 -1.183048070e+00 -1.183048070e+00 4.04 -1.151501683e+00 -1.151501683e+00 4.06 -1.120605669e+00 -1.120605669e+00 4.08 -1.090355735e+00 -1.090355735e+00 4.10 -1.060747093e+00 -1.060747093e+00 4.12 -1.031774489e+00 -1.031774489e+00 4.14 -1.003432243e+00 -1.003432243e+00 4.16 -9.757142778e-01 -9.757142778e-01 4.18 -9.486141504e-01 -9.486141504e-01 4.20 -9.221250835e-01 -9.221250835e-01 4.22 -8.962399924e-01 -8.962399924e-01 4.24 -8.709515126e-01 -8.709515126e-01 4.26 -8.459499830e-01 -8.459499830e-01 4.28 -8.151936573e-01 -8.151936573e-01 4.30 -7.627832354e-01 -7.627832354e-01 4.32 -6.860704442e-01 -6.860704442e-01 4.34 -6.504660605e-01 -6.504660605e-01 4.36 -6.316200721e-01 -6.316200721e-01 4.38 -6.132339846e-01 -6.132339846e-01 4.40 -5.953006285e-01 -5.953006285e-01 4.42 -5.778127366e-01 -5.778127366e-01 4.44 -5.607629591e-01 -5.607629591e-01 4.46 -5.441438770e-01 -5.441438770e-01 4.48 -5.279480159e-01 -5.279480159e-01 4.50 -5.121678579e-01 -5.121678579e-01 4.52 -4.967958535e-01 -4.967958535e-01 4.54 -4.818244327e-01 -4.818244327e-01 4.56 -4.672460158e-01 -4.672460158e-01 4.58 -4.530530226e-01 -4.530530226e-01 4.60 -4.392378824e-01 -4.392378824e-01 4.62 -4.257930421e-01 -4.257930421e-01 4.64 -4.127109749e-01 -4.127109749e-01 4.66 -3.999841874e-01 -3.999841874e-01 4.68 -3.876052274e-01 -3.876052274e-01 4.70 -3.755666899e-01 -3.755666899e-01 4.72 -3.638612240e-01 -3.638612240e-01 4.74 -3.524815378e-01 -3.524815378e-01 4.76 -3.414204045e-01 -3.414204045e-01 4.78 -3.306706672e-01 -3.306706672e-01 4.80 -3.202252428e-01 -3.202252428e-01 4.82 -3.100771273e-01 -3.100771273e-01 4.84 -3.002193983e-01 -3.002193983e-01 4.86 -2.906452196e-01 -2.906452196e-01 4.88 -2.813478437e-01 -2.813478437e-01 4.90 -2.723206149e-01 -2.723206149e-01 4.92 -2.627493866e-01 -2.627493866e-01 4.94 -2.426793668e-01 -2.426793668e-01 4.96 -1.891051240e-01 -1.891051240e-01 4.98 -8.681441327e-02 -8.681441327e-02 5.00 -7.017447086e-24 -7.015437559e-24 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