# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Kim-H-K-Jung-W-S-Lee-B-J--Fe-Nb-C # implementation = 2010--Kim-H-K--Fe-Nb-C--LAMMPS--ipr1 # composition = C2FeNb # 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 2022-05-24 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 6.811824763e+02 6.811824763e+02 0.94 6.313840652e+02 6.313840652e+02 0.96 5.850214004e+02 5.850214004e+02 0.98 5.418662258e+02 5.418662258e+02 1.00 5.017049003e+02 5.017049003e+02 1.02 4.643375028e+02 4.643375028e+02 1.04 4.295769892e+02 4.295769892e+02 1.06 3.972483995e+02 3.972483995e+02 1.08 3.671881099e+02 3.671881099e+02 1.10 3.392431297e+02 3.392431297e+02 1.12 3.132704391e+02 3.132704391e+02 1.14 2.891363660e+02 2.891363660e+02 1.16 2.667160000e+02 2.667160000e+02 1.18 2.458926406e+02 2.458926406e+02 1.20 2.265572788e+02 2.265572788e+02 1.22 2.086081094e+02 2.086081094e+02 1.24 1.919500724e+02 1.919500724e+02 1.26 1.764944226e+02 1.764944226e+02 1.28 1.621583251e+02 1.621583251e+02 1.30 1.488644748e+02 1.488644748e+02 1.32 1.365407401e+02 1.365407401e+02 1.34 1.251198278e+02 1.251198278e+02 1.36 1.145389690e+02 1.145389690e+02 1.38 1.047396242e+02 1.047396242e+02 1.40 9.566720737e+01 9.566720737e+01 1.42 8.727082630e+01 8.727082630e+01 1.44 7.950304017e+01 7.950304017e+01 1.46 7.231963194e+01 7.231963194e+01 1.48 6.567939528e+01 6.567939528e+01 1.50 5.954393510e+01 5.954393510e+01 1.52 5.387748073e+01 5.387748073e+01 1.54 4.864671119e+01 4.864671119e+01 1.56 4.382059165e+01 4.382059165e+01 1.58 3.937022045e+01 3.937022045e+01 1.60 3.526868611e+01 3.526868611e+01 1.62 3.149093354e+01 3.149093354e+01 1.64 2.801363911e+01 2.801363911e+01 1.66 2.481509382e+01 2.481509382e+01 1.68 2.187509418e+01 2.187509418e+01 1.70 1.917484023e+01 1.917484023e+01 1.72 1.669684040e+01 1.669684040e+01 1.74 1.442482260e+01 1.442482260e+01 1.76 1.234365118e+01 1.234365118e+01 1.78 1.043924954e+01 1.043924954e+01 1.80 8.698527809e+00 8.698527809e+00 1.82 7.109315358e+00 7.109315358e+00 1.84 5.660297909e+00 5.660297909e+00 1.86 4.340958798e+00 4.340958798e+00 1.88 3.141524227e+00 3.141524227e+00 1.90 2.052912193e+00 2.052912193e+00 1.92 1.066684864e+00 1.066684864e+00 1.94 1.750041848e-01 1.750041848e-01 1.96 -6.294095191e-01 -6.294095191e-01 1.98 -1.353316126e+00 -1.353316126e+00 2.00 -2.002991682e+00 -2.002991682e+00 2.02 -2.584261918e+00 -2.584261918e+00 2.04 -3.102533487e+00 -3.102533487e+00 2.06 -3.562823069e+00 -3.562823069e+00 2.08 -3.969784488e+00 -3.969784488e+00 2.10 -4.327733981e+00 -4.327733981e+00 2.12 -4.640673731e+00 -4.640673731e+00 2.14 -4.912313796e+00 -4.912313796e+00 2.16 -5.146092527e+00 -5.146092527e+00 2.18 -5.345195594e+00 -5.345195594e+00 2.20 -5.512573694e+00 -5.512573694e+00 2.22 -5.650959050e+00 -5.650959050e+00 2.24 -5.762880772e+00 -5.762880772e+00 2.26 -5.850679162e+00 -5.850679162e+00 2.28 -5.916519026e+00 -5.916519026e+00 2.30 -5.962402077e+00 -5.962402077e+00 2.32 -5.990178473e+00 -5.990178473e+00 2.34 -6.001557562e+00 -6.001557562e+00 2.36 -5.998117885e+00 -5.998117885e+00 2.38 -5.981316479e+00 -5.981316479e+00 2.40 -5.952497545e+00 -5.952497545e+00 2.42 -5.912900504e+00 -5.912900504e+00 2.44 -5.863667503e+00 -5.863667503e+00 2.46 -5.805850394e+00 -5.805850394e+00 2.48 -5.740417229e+00 -5.740417229e+00 2.50 -5.668258298e+00 -5.668258298e+00 2.52 -5.590191756e+00 -5.590191756e+00 2.54 -5.506968843e+00 -5.506968843e+00 2.56 -5.419278756e+00 -5.419278756e+00 2.58 -5.327753163e+00 -5.327753163e+00 2.60 -5.232970412e+00 -5.232970412e+00 2.62 -5.135459440e+00 -5.135459440e+00 2.64 -5.035703410e+00 -5.035703410e+00 2.66 -4.934143090e+00 -4.934143090e+00 2.68 -4.831179991e+00 -4.831179991e+00 2.70 -4.727179291e+00 -4.727179291e+00 2.72 -4.622472546e+00 -4.622472546e+00 2.74 -4.517360211e+00 -4.517360211e+00 2.76 -4.412113981e+00 -4.412113981e+00 2.78 -4.306978959e+00 -4.306978959e+00 2.80 -4.202175631e+00 -4.202175631e+00 2.82 -4.097901916e+00 -4.097901916e+00 2.84 -3.994334848e+00 -3.994334848e+00 2.86 -3.891631914e+00 -3.891631914e+00 2.88 -3.789932875e+00 -3.789932875e+00 2.90 -3.689361058e+00 -3.689361058e+00 2.92 -3.590024646e+00 -3.590024646e+00 2.94 -3.492017881e+00 -3.492017881e+00 2.96 -3.395422168e+00 -3.395422168e+00 2.98 -3.300307112e+00 -3.300307112e+00 3.00 -3.206731472e+00 -3.206731472e+00 3.02 -3.114744042e+00 -3.114744042e+00 3.04 -3.024384476e+00 -3.024384476e+00 3.06 -2.935684046e+00 -2.935684046e+00 3.08 -2.848666343e+00 -2.848666343e+00 3.10 -2.763347935e+00 -2.763347935e+00 3.12 -2.679738961e+00 -2.679738961e+00 3.14 -2.597843697e+00 -2.597843697e+00 3.16 -2.517661069e+00 -2.517661069e+00 3.18 -2.439185130e+00 -2.439185130e+00 3.20 -2.362405504e+00 -2.362405504e+00 3.22 -2.287307796e+00 -2.287307796e+00 3.24 -2.213873965e+00 -2.213873965e+00 3.26 -2.142082683e+00 -2.142082683e+00 3.28 -2.071909653e+00 -2.071909653e+00 3.30 -2.003327912e+00 -2.003327912e+00 3.32 -1.936308112e+00 -1.936308112e+00 3.34 -1.870818777e+00 -1.870818777e+00 3.36 -1.806826548e+00 -1.806826548e+00 3.38 -1.744296409e+00 -1.744296409e+00 3.40 -1.683191896e+00 -1.683191896e+00 3.42 -1.623475302e+00 -1.623475302e+00 3.44 -1.565107870e+00 -1.565107870e+00 3.46 -1.508049967e+00 -1.508049967e+00 3.48 -1.452261272e+00 -1.452261272e+00 3.50 -1.397700944e+00 -1.397700944e+00 3.52 -1.344327795e+00 -1.344327795e+00 3.54 -1.292100469e+00 -1.292100469e+00 3.56 -1.240977618e+00 -1.240977618e+00 3.58 -1.190918094e+00 -1.190918094e+00 3.60 -1.141881143e+00 -1.141881143e+00 3.62 -1.093826625e+00 -1.093826625e+00 3.64 -1.046715247e+00 -1.046715247e+00 3.66 -1.000508821e+00 -1.000508821e+00 3.68 -9.551705538e-01 -9.551705538e-01 3.70 -9.106653661e-01 -9.106653661e-01 3.72 -8.669602514e-01 -8.669602514e-01 3.74 -8.240246756e-01 -8.240246756e-01 3.76 -7.818310192e-01 -7.818310192e-01 3.78 -7.403550616e-01 -7.403550616e-01 3.80 -6.995765055e-01 -6.995765055e-01 3.82 -6.594795307e-01 -6.594795307e-01 3.84 -6.200533646e-01 -6.200533646e-01 3.86 -5.812928446e-01 -5.812928446e-01 3.88 -5.431989413e-01 -5.431989413e-01 3.90 -5.057787968e-01 -5.057787968e-01 3.92 -4.675661296e-01 -4.675661296e-01 3.94 -4.162032993e-01 -4.162032993e-01 3.96 -3.301684851e-01 -3.301684851e-01 3.98 -2.227647221e-01 -2.227647221e-01 4.00 -1.941322341e-01 -1.941322341e-01 4.02 -1.705997860e-01 -1.705997860e-01 4.04 -1.475118253e-01 -1.475118253e-01 4.06 -1.248662046e-01 -1.248662046e-01 4.08 -1.026631527e-01 -1.026631527e-01 4.10 -8.090497689e-02 -8.090497689e-02 4.12 -5.959567233e-02 -5.959567233e-02 4.14 -3.874045046e-02 -3.874045046e-02 4.16 -1.834521523e-02 -1.834521523e-02 4.18 1.583972534e-03 1.583972534e-03 4.20 2.104138789e-02 2.104138789e-02 4.22 4.002202790e-02 4.002202790e-02 4.24 5.852182425e-02 5.852182425e-02 4.26 7.653762119e-02 7.653762119e-02 4.28 9.406687334e-02 9.406687334e-02 4.30 1.111070433e-01 1.111070433e-01 4.32 1.276547118e-01 1.276547118e-01 4.34 1.437044507e-01 1.437044507e-01 4.36 1.592475431e-01 1.592475431e-01 4.38 1.742706672e-01 1.742706672e-01 4.40 1.887546792e-01 1.887546792e-01 4.42 2.026736374e-01 2.026736374e-01 4.44 2.159942064e-01 2.159942064e-01 4.46 2.286755600e-01 2.286755600e-01 4.48 2.406698715e-01 2.406698715e-01 4.50 2.519234403e-01 2.519234403e-01 4.52 2.614432711e-01 2.614432711e-01 4.54 2.569397575e-01 2.569397575e-01 4.56 2.078828818e-01 2.078828818e-01 4.58 9.343893612e-02 9.343893612e-02 4.60 -1.683884236e-22 -1.684017317e-22 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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