# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuMnNi2 # 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 2024-01-04 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 5.610449437e+02 5.610449437e+02 1.00 5.187750251e+02 5.187750251e+02 1.02 4.795889272e+02 4.795889272e+02 1.04 4.433031029e+02 4.433031029e+02 1.06 4.097586024e+02 4.097586024e+02 1.08 3.788095189e+02 3.788095189e+02 1.10 3.501690504e+02 3.501690504e+02 1.12 3.235254730e+02 3.235254730e+02 1.14 2.985901195e+02 2.985901195e+02 1.16 2.751351774e+02 2.751351774e+02 1.18 2.530395366e+02 2.530395366e+02 1.20 2.322665500e+02 2.322665500e+02 1.22 2.128141574e+02 2.128141574e+02 1.24 1.946604905e+02 1.946604905e+02 1.26 1.777952171e+02 1.777952171e+02 1.28 1.621936479e+02 1.621936479e+02 1.30 1.477601538e+02 1.477601538e+02 1.32 1.343857107e+02 1.343857107e+02 1.34 1.219696935e+02 1.219696935e+02 1.36 1.104115862e+02 1.104115862e+02 1.38 9.965757547e+01 9.965757547e+01 1.40 8.969292866e+01 8.969292866e+01 1.42 8.050880076e+01 8.050880076e+01 1.44 7.207498674e+01 7.207498674e+01 1.46 6.434731504e+01 6.434731504e+01 1.48 5.727149556e+01 5.727149556e+01 1.50 5.079497228e+01 5.079497228e+01 1.52 4.486487235e+01 4.486487235e+01 1.54 3.943352193e+01 3.943352193e+01 1.56 3.447775580e+01 3.447775580e+01 1.58 2.999307758e+01 2.999307758e+01 1.60 2.597489246e+01 2.597489246e+01 1.62 2.231127752e+01 2.231127752e+01 1.64 1.888786032e+01 1.888786032e+01 1.66 1.590018583e+01 1.590018583e+01 1.68 1.332077531e+01 1.332077531e+01 1.70 1.110110659e+01 1.110110659e+01 1.72 9.192874619e+00 9.192874619e+00 1.74 7.550741227e+00 7.550741227e+00 1.76 6.130675784e+00 6.130675784e+00 1.78 4.892197893e+00 4.892197893e+00 1.80 3.808004383e+00 3.808004383e+00 1.82 2.863613095e+00 2.863613095e+00 1.84 2.045008258e+00 2.045008258e+00 1.86 1.337573168e+00 1.337573168e+00 1.88 7.292214403e-01 7.292214403e-01 1.90 2.070373043e-01 2.070373043e-01 1.92 -2.438475418e-01 -2.438475418e-01 1.94 -6.356032788e-01 -6.356032788e-01 1.96 -9.785281613e-01 -9.785281613e-01 1.98 -1.282438684e+00 -1.282438684e+00 2.00 -1.556972390e+00 -1.556972390e+00 2.02 -1.809643203e+00 -1.809643203e+00 2.04 -2.042460425e+00 -2.042460425e+00 2.06 -2.257461543e+00 -2.257461543e+00 2.08 -2.455466334e+00 -2.455466334e+00 2.10 -2.636884995e+00 -2.636884995e+00 2.12 -2.802398370e+00 -2.802398370e+00 2.14 -2.952407959e+00 -2.952407959e+00 2.16 -3.087053512e+00 -3.087053512e+00 2.18 -3.206477468e+00 -3.206477468e+00 2.20 -3.310825751e+00 -3.310825751e+00 2.22 -3.400234648e+00 -3.400234648e+00 2.24 -3.475151146e+00 -3.475151146e+00 2.26 -3.536980474e+00 -3.536980474e+00 2.28 -3.587221510e+00 -3.587221510e+00 2.30 -3.627974568e+00 -3.627974568e+00 2.32 -3.661174926e+00 -3.661174926e+00 2.34 -3.688919513e+00 -3.688919513e+00 2.36 -3.712334948e+00 -3.712334948e+00 2.38 -3.731367524e+00 -3.731367524e+00 2.40 -3.745819653e+00 -3.745819653e+00 2.42 -3.755156225e+00 -3.755156225e+00 2.44 -3.758988603e+00 -3.758988603e+00 2.46 -3.757049061e+00 -3.757049061e+00 2.48 -3.749367069e+00 -3.749367069e+00 2.50 -3.736113464e+00 -3.736113464e+00 2.52 -3.717412159e+00 -3.717412159e+00 2.54 -3.693355945e+00 -3.693355945e+00 2.56 -3.663959433e+00 -3.663959433e+00 2.58 -3.629063191e+00 -3.629063191e+00 2.60 -3.588440458e+00 -3.588440458e+00 2.62 -3.543277671e+00 -3.543277671e+00 2.64 -3.494098064e+00 -3.494098064e+00 2.66 -3.440891932e+00 -3.440891932e+00 2.68 -3.383533162e+00 -3.383533162e+00 2.70 -3.321857658e+00 -3.321857658e+00 2.72 -3.256029993e+00 -3.256029993e+00 2.74 -3.186837342e+00 -3.186837342e+00 2.76 -3.115168779e+00 -3.115168779e+00 2.78 -3.041925970e+00 -3.041925970e+00 2.80 -2.968019637e+00 -2.968019637e+00 2.82 -2.894366948e+00 -2.894366948e+00 2.84 -2.821902853e+00 -2.821902853e+00 2.86 -2.751626045e+00 -2.751626045e+00 2.88 -2.684553090e+00 -2.684553090e+00 2.90 -2.621694758e+00 -2.621694758e+00 2.92 -2.564053570e+00 -2.564053570e+00 2.94 -2.512465035e+00 -2.512465035e+00 2.96 -2.466071542e+00 -2.466071542e+00 2.98 -2.423681853e+00 -2.423681853e+00 3.00 -2.384217520e+00 -2.384217520e+00 3.02 -2.346588920e+00 -2.346588920e+00 3.04 -2.309696625e+00 -2.309696625e+00 3.06 -2.272429934e+00 -2.272429934e+00 3.08 -2.233664748e+00 -2.233664748e+00 3.10 -2.192264653e+00 -2.192264653e+00 3.12 -2.147405220e+00 -2.147405220e+00 3.14 -2.098184658e+00 -2.098184658e+00 3.16 -2.043508908e+00 -2.043508908e+00 3.18 -1.982802377e+00 -1.982802377e+00 3.20 -1.916858983e+00 -1.916858983e+00 3.22 -1.846697820e+00 -1.846697820e+00 3.24 -1.773343080e+00 -1.773343080e+00 3.26 -1.697824006e+00 -1.697824006e+00 3.28 -1.621173537e+00 -1.621173537e+00 3.30 -1.544423384e+00 -1.544423384e+00 3.32 -1.468600634e+00 -1.468600634e+00 3.34 -1.394730043e+00 -1.394730043e+00 3.36 -1.323832835e+00 -1.323832835e+00 3.38 -1.256920223e+00 -1.256920223e+00 3.40 -1.194908760e+00 -1.194908760e+00 3.42 -1.137992993e+00 -1.137992993e+00 3.44 -1.085789195e+00 -1.085789195e+00 3.46 -1.037893158e+00 -1.037893158e+00 3.48 -9.938989991e-01 -9.938989991e-01 3.50 -9.534089464e-01 -9.534089464e-01 3.52 -9.160290470e-01 -9.160290470e-01 3.54 -8.813645657e-01 -8.813645657e-01 3.56 -8.490199381e-01 -8.490199381e-01 3.58 -8.185987071e-01 -8.185987071e-01 3.60 -7.897035358e-01 -7.897035358e-01 3.62 -7.619370852e-01 -7.619370852e-01 3.64 -7.349614840e-01 -7.349614840e-01 3.66 -7.086851244e-01 -7.086851244e-01 3.68 -6.831010371e-01 -6.831010371e-01 3.70 -6.582056368e-01 -6.582056368e-01 3.72 -6.339942301e-01 -6.339942301e-01 3.74 -6.104613044e-01 -6.104613044e-01 3.76 -5.876004649e-01 -5.876004649e-01 3.78 -5.654044867e-01 -5.654044867e-01 3.80 -5.438653282e-01 -5.438653282e-01 3.82 -5.229741657e-01 -5.229741657e-01 3.84 -5.027214434e-01 -5.027214434e-01 3.86 -4.830969307e-01 -4.830969307e-01 3.88 -4.640898217e-01 -4.640898217e-01 3.90 -4.456885921e-01 -4.456885921e-01 3.92 -4.278812661e-01 -4.278812661e-01 3.94 -4.106554621e-01 -4.106554621e-01 3.96 -3.939981374e-01 -3.939981374e-01 3.98 -3.778962769e-01 -3.778962769e-01 4.00 -3.623360749e-01 -3.623360749e-01 4.02 -3.473076314e-01 -3.473076314e-01 4.04 -3.328171766e-01 -3.328171766e-01 4.06 -3.188750360e-01 -3.188750360e-01 4.08 -3.054945274e-01 -3.054945274e-01 4.10 -2.926897621e-01 -2.926897621e-01 4.12 -2.804764711e-01 -2.804764711e-01 4.14 -2.688766758e-01 -2.688766758e-01 4.16 -2.578413942e-01 -2.578413942e-01 4.18 -2.471054950e-01 -2.471054950e-01 4.20 -2.366356976e-01 -2.366356976e-01 4.22 -2.264238039e-01 -2.264238039e-01 4.24 -2.164627261e-01 -2.164627261e-01 4.26 -2.067473899e-01 -2.067473899e-01 4.28 -1.972740537e-01 -1.972740537e-01 4.30 -1.880399485e-01 -1.880399485e-01 4.32 -1.790453851e-01 -1.790453851e-01 4.34 -1.702881988e-01 -1.702881988e-01 4.36 -1.617652629e-01 -1.617652629e-01 4.38 -1.534730313e-01 -1.534730313e-01 4.40 -1.454119108e-01 -1.454119108e-01 4.42 -1.375785344e-01 -1.375785344e-01 4.44 -1.299754847e-01 -1.299754847e-01 4.46 -1.225881516e-01 -1.225881516e-01 4.48 -1.153821994e-01 -1.153821994e-01 4.50 -1.084921427e-01 -1.084921427e-01 4.52 -1.020421189e-01 -1.020421189e-01 4.54 -9.598672802e-02 -9.598672802e-02 4.56 -8.994475366e-02 -8.994475366e-02 4.58 -8.369131839e-02 -8.369131839e-02 4.60 -7.714513372e-02 -7.714513372e-02 4.62 -7.041739434e-02 -7.041739434e-02 4.64 -6.387288814e-02 -6.387288814e-02 4.66 -5.777250501e-02 -5.777250501e-02 4.68 -5.226994356e-02 -5.226994356e-02 4.70 -4.744358442e-02 -4.744358442e-02 4.72 -4.332208861e-02 -4.332208861e-02 4.74 -3.989857374e-02 -3.989857374e-02 4.76 -3.715874829e-02 -3.715874829e-02 4.78 -3.509515195e-02 -3.509515195e-02 4.80 -3.362180156e-02 -3.362180156e-02 4.82 -3.228028477e-02 -3.228028477e-02 4.84 -3.100458146e-02 -3.100458146e-02 4.86 -2.979499100e-02 -2.979499100e-02 4.88 -2.865167237e-02 -2.865167237e-02 4.90 -2.757334018e-02 -2.757334018e-02 4.92 -2.655830473e-02 -2.655830473e-02 4.94 -2.560525062e-02 -2.560525062e-02 4.96 -2.471329656e-02 -2.471329656e-02 4.98 -2.388201776e-02 -2.388201776e-02 5.00 -2.311142162e-02 -2.311142162e-02 5.02 -2.240186563e-02 -2.240186563e-02 5.04 -2.175391014e-02 -2.175391014e-02 5.06 -2.116810610e-02 -2.116810610e-02 5.08 -2.064472784e-02 -2.064472784e-02 5.10 -2.018347331e-02 -2.018347331e-02 5.12 -1.978316519e-02 -1.978316519e-02 5.14 -1.944149306e-02 -1.944149306e-02 5.16 -1.915483632e-02 -1.915483632e-02 5.18 -1.891819830e-02 -1.891819830e-02 5.20 -1.872575731e-02 -1.872575731e-02 5.22 -1.857314056e-02 -1.857314056e-02 5.24 -1.845595225e-02 -1.845595225e-02 5.26 -1.836924780e-02 -1.836924780e-02 5.28 -1.830786621e-02 -1.830786621e-02 5.30 -1.826673557e-02 -1.826673557e-02 5.32 -1.824112352e-02 -1.824112352e-02 5.34 -1.822681869e-02 -1.822681869e-02 5.36 -1.822024094e-02 -1.822024094e-02 5.38 -1.821848784e-02 -1.821848784e-02 5.40 -1.821933000e-02 -1.821933000e-02 5.42 -1.822116996e-02 -1.822116996e-02 5.44 -1.822297840e-02 -1.822297840e-02 5.46 -1.822421917e-02 -1.822421917e-02 5.48 -1.822477200e-02 -1.822477200e-02 5.50 -1.822485839e-02 -1.822485839e-02 5.52 -1.822485828e-02 -1.822485828e-02 5.54 -1.822485828e-02 -1.822485828e-02 5.56 -1.822485828e-02 -1.822485828e-02 5.58 -1.822485828e-02 -1.822485828e-02 5.60 -1.822485828e-02 -1.822485828e-02 5.62 -1.822485828e-02 -1.822485828e-02 5.64 -1.822485828e-02 -1.822485828e-02 5.66 -1.822485828e-02 -1.822485828e-02 5.68 -1.822485828e-02 -1.822485828e-02 5.70 -1.822485828e-02 -1.822485828e-02 5.72 -1.822485828e-02 -1.822485828e-02 5.74 -1.822485828e-02 -1.822485828e-02 5.76 -1.822485828e-02 -1.822485828e-02 5.78 -1.822485828e-02 -1.822485828e-02 5.80 -1.822485828e-02 -1.822485828e-02 5.82 -1.822485828e-02 -1.822485828e-02 5.84 -1.822485828e-02 -1.822485828e-02 5.86 -1.822485828e-02 -1.822485828e-02 5.88 -1.822485828e-02 -1.822485828e-02 5.90 -1.822485828e-02 -1.822485828e-02 5.92 -1.822485828e-02 -1.822485828e-02 5.94 -1.822485828e-02 -1.822485828e-02 5.96 -1.822485828e-02 -1.822485828e-02 5.98 -1.822485828e-02 -1.822485828e-02 6.00 -1.822485828e-02 -1.822485828e-02