# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1 # composition = CoCr2Ni # 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 2024-11-27 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 3.735392434e+05 3.735392434e+05 1.06 2.921695834e+05 2.921695834e+05 1.08 2.293640182e+05 2.293640182e+05 1.10 1.806879183e+05 1.806879183e+05 1.12 1.428135240e+05 1.428135240e+05 1.14 1.132318024e+05 1.132318024e+05 1.16 9.004277819e+04 9.004277819e+04 1.18 7.180104067e+04 7.180104067e+04 1.20 5.740214607e+04 5.740214607e+04 1.22 4.599894251e+04 4.599894251e+04 1.24 3.693903927e+04 3.693903927e+04 1.26 2.971813484e+04 2.971813484e+04 1.28 2.394512782e+04 2.394512782e+04 1.30 1.931567540e+04 1.931567540e+04 1.32 1.559209331e+04 1.559209331e+04 1.34 1.259357563e+04 1.259357563e+04 1.36 1.018714977e+04 1.018714977e+04 1.38 8.253286568e+03 8.253286568e+03 1.40 6.695985731e+03 6.695985731e+03 1.42 5.439532031e+03 5.439532031e+03 1.44 4.424034207e+03 4.424034207e+03 1.46 3.601939165e+03 3.601939165e+03 1.48 2.935376738e+03 2.935376738e+03 1.50 2.394106275e+03 2.394106275e+03 1.52 1.953940509e+03 1.953940509e+03 1.54 1.595505632e+03 1.595505632e+03 1.56 1.303262041e+03 1.303262041e+03 1.58 1.064698730e+03 1.064698730e+03 1.60 8.697630290e+02 8.697630290e+02 1.62 7.103812936e+02 7.103812936e+02 1.64 5.800187405e+02 5.800187405e+02 1.66 4.733551465e+02 4.733551465e+02 1.68 3.860542666e+02 3.860542666e+02 1.70 3.145830244e+02 3.145830244e+02 1.72 2.560652605e+02 2.560652605e+02 1.74 2.081574501e+02 2.081574501e+02 1.76 1.689474654e+02 1.689474654e+02 1.78 1.368707602e+02 1.368707602e+02 1.80 1.106435592e+02 1.106435592e+02 1.82 8.918596953e+01 8.918596953e+01 1.84 7.161718575e+01 7.161718575e+01 1.86 5.724006531e+01 5.724006531e+01 1.88 4.548232805e+01 4.548232805e+01 1.90 3.587578593e+01 3.587578593e+01 1.92 2.804075518e+01 2.804075518e+01 1.94 2.166856616e+01 2.166856616e+01 1.96 1.649880238e+01 1.649880238e+01 1.98 1.231169963e+01 1.231169963e+01 2.00 8.923985980e+00 8.923985980e+00 2.02 6.183247173e+00 6.183247173e+00 2.04 3.963341228e+00 3.963341228e+00 2.06 2.161959358e+00 2.161959358e+00 2.08 6.975019821e-01 6.975019821e-01 2.10 -4.941430372e-01 -4.941430372e-01 2.12 -1.463234259e+00 -1.463234259e+00 2.14 -2.249588140e+00 -2.249588140e+00 2.16 -2.885056626e+00 -2.885056626e+00 2.18 -3.395377802e+00 -3.395377802e+00 2.20 -3.800108878e+00 -3.800108878e+00 2.22 -4.113837082e+00 -4.113837082e+00 2.24 -4.352154913e+00 -4.352154913e+00 2.26 -4.531336007e+00 -4.531336007e+00 2.28 -4.664665591e+00 -4.664665591e+00 2.30 -4.762228878e+00 -4.762228878e+00 2.32 -4.831491422e+00 -4.831491422e+00 2.34 -4.878182229e+00 -4.878182229e+00 2.36 -4.906999011e+00 -4.906999011e+00 2.38 -4.921822247e+00 -4.921822247e+00 2.40 -4.926336687e+00 -4.926336687e+00 2.42 -4.924399397e+00 -4.924399397e+00 2.44 -4.919536180e+00 -4.919536180e+00 2.46 -4.914502666e+00 -4.914502666e+00 2.48 -4.910481577e+00 -4.910481577e+00 2.50 -4.906356258e+00 -4.906356258e+00 2.52 -4.897982546e+00 -4.897982546e+00 2.54 -4.879951952e+00 -4.879951952e+00 2.56 -4.849949016e+00 -4.849949016e+00 2.58 -4.808519380e+00 -4.808519380e+00 2.60 -4.757858504e+00 -4.757858504e+00 2.62 -4.700908014e+00 -4.700908014e+00 2.64 -4.640673604e+00 -4.640673604e+00 2.66 -4.579741149e+00 -4.579741149e+00 2.68 -4.520046580e+00 -4.520046580e+00 2.70 -4.462817944e+00 -4.462817944e+00 2.72 -4.408561880e+00 -4.408561880e+00 2.74 -4.357146999e+00 -4.357146999e+00 2.76 -4.307978759e+00 -4.307978759e+00 2.78 -4.260246288e+00 -4.260246288e+00 2.80 -4.213224826e+00 -4.213224826e+00 2.82 -4.166578313e+00 -4.166578313e+00 2.84 -4.120212703e+00 -4.120212703e+00 2.86 -4.073765725e+00 -4.073765725e+00 2.88 -4.026473641e+00 -4.026473641e+00 2.90 -3.977332349e+00 -3.977332349e+00 2.92 -3.925220473e+00 -3.925220473e+00 2.94 -3.868955979e+00 -3.868955979e+00 2.96 -3.807451583e+00 -3.807451583e+00 2.98 -3.740346479e+00 -3.740346479e+00 3.00 -3.668160526e+00 -3.668160526e+00 3.02 -3.592006879e+00 -3.592006879e+00 3.04 -3.513302985e+00 -3.513302985e+00 3.06 -3.433520675e+00 -3.433520675e+00 3.08 -3.354005902e+00 -3.354005902e+00 3.10 -3.275771709e+00 -3.275771709e+00 3.12 -3.199373674e+00 -3.199373674e+00 3.14 -3.125097423e+00 -3.125097423e+00 3.16 -3.053221107e+00 -3.053221107e+00 3.18 -2.983952245e+00 -2.983952245e+00 3.20 -2.917341120e+00 -2.917341120e+00 3.22 -2.853308337e+00 -2.853308337e+00 3.24 -2.791675001e+00 -2.791675001e+00 3.26 -2.732199325e+00 -2.732199325e+00 3.28 -2.674621945e+00 -2.674621945e+00 3.30 -2.618685782e+00 -2.618685782e+00 3.32 -2.564146371e+00 -2.564146371e+00 3.34 -2.510780675e+00 -2.510780675e+00 3.36 -2.458394141e+00 -2.458394141e+00 3.38 -2.406825757e+00 -2.406825757e+00 3.40 -2.355950961e+00 -2.355950961e+00 3.42 -2.305682369e+00 -2.305682369e+00 3.44 -2.255968367e+00 -2.255968367e+00 3.46 -2.206789730e+00 -2.206789730e+00 3.48 -2.158154501e+00 -2.158154501e+00 3.50 -2.110091491e+00 -2.110091491e+00 3.52 -2.062642843e+00 -2.062642843e+00 3.54 -2.015856189e+00 -2.015856189e+00 3.56 -1.969777054e+00 -1.969777054e+00 3.58 -1.924442242e+00 -1.924442242e+00 3.60 -1.879875026e+00 -1.879875026e+00 3.62 -1.836083090e+00 -1.836083090e+00 3.64 -1.793060245e+00 -1.793060245e+00 3.66 -1.750793047e+00 -1.750793047e+00 3.68 -1.709273524e+00 -1.709273524e+00 3.70 -1.668513292e+00 -1.668513292e+00 3.72 -1.628533420e+00 -1.628533420e+00 3.74 -1.589353514e+00 -1.589353514e+00 3.76 -1.550990822e+00 -1.550990822e+00 3.78 -1.513459845e+00 -1.513459845e+00 3.80 -1.476772011e+00 -1.476772011e+00 3.82 -1.440935419e+00 -1.440935419e+00 3.84 -1.405954629e+00 -1.405954629e+00 3.86 -1.371830517e+00 -1.371830517e+00 3.88 -1.338560164e+00 -1.338560164e+00 3.90 -1.306136778e+00 -1.306136778e+00 3.92 -1.274549637e+00 -1.274549637e+00 3.94 -1.243784043e+00 -1.243784043e+00 3.96 -1.213821266e+00 -1.213821266e+00 3.98 -1.184638457e+00 -1.184638457e+00 4.00 -1.156208541e+00 -1.156208541e+00 4.02 -1.128500015e+00 -1.128500015e+00 4.04 -1.101476706e+00 -1.101476706e+00 4.06 -1.075097382e+00 -1.075097382e+00 4.08 -1.049315266e+00 -1.049315266e+00 4.10 -1.024077382e+00 -1.024077382e+00 4.12 -9.993237174e-01 -9.993237174e-01 4.14 -9.749861798e-01 -9.749861798e-01 4.16 -9.509873141e-01 -9.509873141e-01 4.18 -9.272410474e-01 -9.272410474e-01 4.20 -9.036673112e-01 -9.036673112e-01 4.22 -8.802018350e-01 -8.802018350e-01 4.24 -8.567951125e-01 -8.567951125e-01 4.26 -8.334110750e-01 -8.334110750e-01 4.28 -8.100260865e-01 -8.100260865e-01 4.30 -7.866282015e-01 -7.866282015e-01 4.32 -7.632166467e-01 -7.632166467e-01 4.34 -7.398014594e-01 -7.398014594e-01 4.36 -7.164031655e-01 -7.164031655e-01 4.38 -6.930525787e-01 -6.930525787e-01 4.40 -6.697906758e-01 -6.697906758e-01 4.42 -6.466681727e-01 -6.466681727e-01 4.44 -6.237450969e-01 -6.237450969e-01 4.46 -6.010906540e-01 -6.010906540e-01 4.48 -5.787815833e-01 -5.787815833e-01 4.50 -5.569021202e-01 -5.569021202e-01 4.52 -5.355419633e-01 -5.355419633e-01 4.54 -5.147945642e-01 -5.147945642e-01 4.56 -4.947554295e-01 -4.947554295e-01 4.58 -4.755190113e-01 -4.755190113e-01 4.60 -4.571754128e-01 -4.571754128e-01 4.62 -4.398076641e-01 -4.398076641e-01 4.64 -4.234858053e-01 -4.234858053e-01 4.66 -4.082618898e-01 -4.082618898e-01 4.68 -3.941691830e-01 -3.941691830e-01 4.70 -3.812038460e-01 -3.812038460e-01 4.72 -3.693296374e-01 -3.693296374e-01 4.74 -3.584728602e-01 -3.584728602e-01 4.76 -3.484849309e-01 -3.484849309e-01 4.78 -3.391615701e-01 -3.391615701e-01 4.80 -3.302438950e-01 -3.302438950e-01 4.82 -3.213852448e-01 -3.213852448e-01 4.84 -3.120473850e-01 -3.120473850e-01 4.86 -3.020846188e-01 -3.020846188e-01 4.88 -2.916072780e-01 -2.916072780e-01 4.90 -2.807375852e-01 -2.807375852e-01 4.92 -2.696057564e-01 -2.696057564e-01 4.94 -2.584952763e-01 -2.584952763e-01 4.96 -2.473111463e-01 -2.473111463e-01 4.98 -2.356572864e-01 -2.356572864e-01 5.00 -2.233307414e-01 -2.233307414e-01 5.02 -2.102755460e-01 -2.102755460e-01 5.04 -1.965396922e-01 -1.965396922e-01 5.06 -1.822407878e-01 -1.822407878e-01 5.08 -1.675390158e-01 -1.675390158e-01 5.10 -1.525702079e-01 -1.525702079e-01 5.12 -1.376114145e-01 -1.376114145e-01 5.14 -1.230523955e-01 -1.230523955e-01 5.16 -1.091822673e-01 -1.091822673e-01 5.18 -9.620508999e-02 -9.620508999e-02 5.20 -8.425609634e-02 -8.425609634e-02 5.22 -7.341530385e-02 -7.341530385e-02 5.24 -6.371681981e-02 -6.371681981e-02 5.26 -5.515667587e-02 -5.515667587e-02 5.28 -4.770069319e-02 -4.770069319e-02 5.30 -4.129133616e-02 -4.129133616e-02 5.32 -3.585363789e-02 -3.585363789e-02 5.34 -3.130032692e-02 -3.130032692e-02 5.36 -2.753625978e-02 -2.753625978e-02 5.38 -2.446224339e-02 -2.446224339e-02 5.40 -2.197831415e-02 -2.197831415e-02 5.42 -1.998652673e-02 -1.998652673e-02 5.44 -1.839329464e-02 -1.839329464e-02 5.46 -1.711131572e-02 -1.711131572e-02 5.48 -1.606110970e-02 -1.606110970e-02 5.50 -1.517218978e-02 -1.517218978e-02 5.52 -1.438388754e-02 -1.438388754e-02 5.54 -1.364584873e-02 -1.364584873e-02 5.56 -1.291821677e-02 -1.291821677e-02 5.58 -1.217152169e-02 -1.217152169e-02 5.60 -1.138629307e-02 -1.138629307e-02 5.62 -1.055241828e-02 -1.055241828e-02 5.64 -9.668269314e-03 -9.668269314e-03 5.66 -8.739625165e-03 -8.739625165e-03 5.68 -7.778420107e-03 -7.778420107e-03 5.70 -6.801352186e-03 -6.801352186e-03 5.72 -5.828390468e-03 -5.828390468e-03 5.74 -4.881224010e-03 -4.881224010e-03 5.76 -3.981700156e-03 -3.981700156e-03 5.78 -3.150304489e-03 -3.150304489e-03 5.80 -2.404739652e-03 -2.404739652e-03 5.82 -1.758665189e-03 -1.758665189e-03 5.84 -1.220665558e-03 -1.220665558e-03 5.86 -7.935185145e-04 -7.935185145e-04 5.88 -4.738411533e-04 -4.738411533e-04 5.90 -2.521959692e-04 -2.521959692e-04 5.92 -1.137444298e-04 -1.137444298e-04 5.94 -3.954064699e-05 -3.954064699e-05 5.96 -8.562856526e-06 -8.562856526e-06 5.98 -5.855235035e-07 -5.855235035e-07 6.00 -2.620015658e-13 -2.341208483e-13