# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Co2CrMn # 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 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 3.001556028e+04 3.001556028e+04 1.12 2.413902119e+04 2.413902119e+04 1.14 1.948436742e+04 1.948436742e+04 1.16 1.578277318e+04 1.578277318e+04 1.18 1.282774028e+04 1.282774028e+04 1.20 1.045992809e+04 1.045992809e+04 1.22 8.555846847e+03 8.555846847e+03 1.24 7.019386196e+03 7.019386196e+03 1.26 5.775439541e+03 5.775439541e+03 1.28 4.765081754e+03 4.765081754e+03 1.30 3.941904911e+03 3.941904911e+03 1.32 3.269225020e+03 3.269225020e+03 1.34 2.717940929e+03 2.717940929e+03 1.36 2.264885899e+03 2.264885899e+03 1.38 1.891555899e+03 1.891555899e+03 1.40 1.583123396e+03 1.583123396e+03 1.42 1.327668824e+03 1.327668824e+03 1.44 1.115580725e+03 1.115580725e+03 1.46 9.390863704e+02 9.390863704e+02 1.48 7.918820786e+02 7.918820786e+02 1.50 6.688415898e+02 6.688415898e+02 1.52 5.657843891e+02 5.657843891e+02 1.54 4.792922655e+02 4.792922655e+02 1.56 4.065630624e+02 4.065630624e+02 1.58 3.452938262e+02 3.452938262e+02 1.60 2.935876661e+02 2.935876661e+02 1.62 2.498782607e+02 2.498782607e+02 1.64 2.128687852e+02 2.128687852e+02 1.66 1.814834447e+02 1.814834447e+02 1.68 1.548279689e+02 1.548279689e+02 1.70 1.321574483e+02 1.321574483e+02 1.72 1.128502338e+02 1.128502338e+02 1.74 9.638660987e+01 9.638660987e+01 1.76 8.233113178e+01 8.233113178e+01 1.78 7.031808484e+01 7.031808484e+01 1.80 6.003988886e+01 6.003988886e+01 1.82 5.123750106e+01 5.123750106e+01 1.84 4.369228315e+01 4.369228315e+01 1.86 3.721945538e+01 3.721945538e+01 1.88 3.166268555e+01 3.166268555e+01 1.90 2.688954672e+01 2.688954672e+01 1.92 2.278773630e+01 2.278773630e+01 1.94 1.926174088e+01 1.926174088e+01 1.96 1.623005366e+01 1.623005366e+01 1.98 1.362293805e+01 1.362293805e+01 2.00 1.138081531e+01 1.138081531e+01 2.02 9.452766778e+00 9.452766778e+00 2.04 7.795235438e+00 7.795235438e+00 2.06 6.370825859e+00 6.370825859e+00 2.08 5.147456265e+00 5.147456265e+00 2.10 4.097579334e+00 4.097579334e+00 2.12 3.197501732e+00 3.197501732e+00 2.14 2.426832606e+00 2.426832606e+00 2.16 1.768017392e+00 1.768017392e+00 2.18 1.205943053e+00 1.205943053e+00 2.20 7.276035680e-01 7.276035680e-01 2.22 3.217764736e-01 3.217764736e-01 2.24 -2.135423640e-02 -2.135423640e-02 2.26 -3.103092152e-01 -3.103092152e-01 2.28 -5.524571786e-01 -5.524571786e-01 2.30 -7.541730831e-01 -7.541730831e-01 2.32 -9.209672013e-01 -9.209672013e-01 2.34 -1.057595756e+00 -1.057595756e+00 2.36 -1.168209421e+00 -1.168209421e+00 2.38 -1.256480894e+00 -1.256480894e+00 2.40 -1.325608653e+00 -1.325608653e+00 2.42 -1.378370193e+00 -1.378370193e+00 2.44 -1.417173559e+00 -1.417173559e+00 2.46 -1.444101453e+00 -1.444101453e+00 2.48 -1.460948972e+00 -1.460948972e+00 2.50 -1.469255876e+00 -1.469255876e+00 2.52 -1.470334144e+00 -1.470334144e+00 2.54 -1.465291471e+00 -1.465291471e+00 2.56 -1.455051394e+00 -1.455051394e+00 2.58 -1.440401786e+00 -1.440401786e+00 2.60 -1.422055533e+00 -1.422055533e+00 2.62 -1.400609783e+00 -1.400609783e+00 2.64 -1.376567182e+00 -1.376567182e+00 2.66 -1.350408157e+00 -1.350408157e+00 2.68 -1.322568345e+00 -1.322568345e+00 2.70 -1.293423568e+00 -1.293423568e+00 2.72 -1.263282826e+00 -1.263282826e+00 2.74 -1.232398693e+00 -1.232398693e+00 2.76 -1.200988022e+00 -1.200988022e+00 2.78 -1.169236954e+00 -1.169236954e+00 2.80 -1.137304707e+00 -1.137304707e+00 2.82 -1.105326797e+00 -1.105326797e+00 2.84 -1.073417791e+00 -1.073417791e+00 2.86 -1.041673623e+00 -1.041673623e+00 2.88 -1.010178081e+00 -1.010178081e+00 2.90 -9.790144627e-01 -9.790144627e-01 2.92 -9.482580510e-01 -9.482580510e-01 2.94 -9.179752010e-01 -9.179752010e-01 2.96 -8.882244268e-01 -8.882244268e-01 2.98 -8.590572972e-01 -8.590572972e-01 3.00 -8.305191643e-01 -8.305191643e-01 3.02 -8.026497458e-01 -8.026497458e-01 3.04 -7.754835799e-01 -7.754835799e-01 3.06 -7.490503669e-01 -7.490503669e-01 3.08 -7.233752117e-01 -7.233752117e-01 3.10 -6.984787805e-01 -6.984787805e-01 3.12 -6.743773804e-01 -6.743773804e-01 3.14 -6.510829717e-01 -6.510829717e-01 3.16 -6.286030708e-01 -6.286030708e-01 3.18 -6.069372761e-01 -6.069372761e-01 3.20 -5.860756531e-01 -5.860756531e-01 3.22 -5.660042473e-01 -5.660042473e-01 3.24 -5.467053564e-01 -5.467053564e-01 3.26 -5.281572160e-01 -5.281572160e-01 3.28 -5.103336582e-01 -5.103336582e-01 3.30 -4.932037446e-01 -4.932037446e-01 3.32 -4.767342690e-01 -4.767342690e-01 3.34 -4.608988626e-01 -4.608988626e-01 3.36 -4.456704334e-01 -4.456704334e-01 3.38 -4.310181762e-01 -4.310181762e-01 3.40 -4.169072559e-01 -4.169072559e-01 3.42 -4.032984783e-01 -4.032984783e-01 3.44 -3.901479529e-01 -3.901479529e-01 3.46 -3.774089386e-01 -3.774089386e-01 3.48 -3.650563412e-01 -3.650563412e-01 3.50 -3.530813395e-01 -3.530813395e-01 3.52 -3.414759777e-01 -3.414759777e-01 3.54 -3.302328393e-01 -3.302328393e-01 3.56 -3.193449954e-01 -3.193449954e-01 3.58 -3.088059480e-01 -3.088059480e-01 3.60 -2.986095705e-01 -2.986095705e-01 3.62 -2.887500453e-01 -2.887500453e-01 3.64 -2.792217979e-01 -2.792217979e-01 3.66 -2.700194299e-01 -2.700194299e-01 3.68 -2.611376490e-01 -2.611376490e-01 3.70 -2.525711983e-01 -2.525711983e-01 3.72 -2.443147833e-01 -2.443147833e-01 3.74 -2.363629980e-01 -2.363629980e-01 3.76 -2.287102501e-01 -2.287102501e-01 3.78 -2.213506852e-01 -2.213506852e-01 3.80 -2.142781100e-01 -2.142781100e-01 3.82 -2.074859151e-01 -2.074859151e-01 3.84 -2.009669977e-01 -2.009669977e-01 3.86 -1.947136829e-01 -1.947136829e-01 3.88 -1.887176453e-01 -1.887176453e-01 3.90 -1.829698308e-01 -1.829698308e-01 3.92 -1.774603770e-01 -1.774603770e-01 3.94 -1.721785342e-01 -1.721785342e-01 3.96 -1.671125867e-01 -1.671125867e-01 3.98 -1.622497731e-01 -1.622497731e-01 4.00 -1.575762071e-01 -1.575762071e-01 4.02 -1.530767983e-01 -1.530767983e-01 4.04 -1.487351732e-01 -1.487351732e-01 4.06 -1.445353969e-01 -1.445353969e-01 4.08 -1.404698329e-01 -1.404698329e-01 4.10 -1.365338073e-01 -1.365338073e-01 4.12 -1.327228164e-01 -1.327228164e-01 4.14 -1.290325191e-01 -1.290325191e-01 4.16 -1.254587317e-01 -1.254587317e-01 4.18 -1.219974222e-01 -1.219974222e-01 4.20 -1.186447051e-01 -1.186447051e-01 4.22 -1.153968362e-01 -1.153968362e-01 4.24 -1.122502076e-01 -1.122502076e-01 4.26 -1.092013427e-01 -1.092013427e-01 4.28 -1.062468916e-01 -1.062468916e-01 4.30 -1.033836262e-01 -1.033836262e-01 4.32 -1.006084362e-01 -1.006084362e-01 4.34 -9.791832421e-02 -9.791832421e-02 4.36 -9.531040219e-02 -9.531040219e-02 4.38 -9.278188693e-02 -9.278188693e-02 4.40 -9.033009637e-02 -9.033009637e-02 4.42 -8.795244580e-02 -8.795244580e-02 4.44 -8.564644421e-02 -8.564644421e-02 4.46 -8.340969077e-02 -8.340969077e-02 4.48 -8.123958311e-02 -8.123958311e-02 4.50 -7.913250229e-02 -7.913250229e-02 4.52 -7.708477780e-02 -7.708477780e-02 4.54 -7.509298510e-02 -7.509298510e-02 4.56 -7.315393706e-02 -7.315393706e-02 4.58 -7.126467551e-02 -7.126467551e-02 4.60 -6.942246282e-02 -6.942246282e-02 4.62 -6.762477362e-02 -6.762477362e-02 4.64 -6.586928651e-02 -6.586928651e-02 4.66 -6.415387589e-02 -6.415387589e-02 4.68 -6.247660379e-02 -6.247660379e-02 4.70 -6.083571185e-02 -6.083571185e-02 4.72 -5.922961325e-02 -5.922961325e-02 4.74 -5.765688482e-02 -5.765688482e-02 4.76 -5.611625909e-02 -5.611625909e-02 4.78 -5.460661647e-02 -5.460661647e-02 4.80 -5.312697743e-02 -5.312697743e-02 4.82 -5.167649477e-02 -5.167649477e-02 4.84 -5.025444594e-02 -5.025444594e-02 4.86 -4.886022535e-02 -4.886022535e-02 4.88 -4.749333678e-02 -4.749333678e-02 4.90 -4.615338582e-02 -4.615338582e-02 4.92 -4.484007235e-02 -4.484007235e-02 4.94 -4.355318304e-02 -4.355318304e-02 4.96 -4.229258392e-02 -4.229258392e-02 4.98 -4.105821297e-02 -4.105821297e-02 5.00 -3.985007273e-02 -3.985007273e-02 5.02 -3.866822301e-02 -3.866822301e-02 5.04 -3.751277352e-02 -3.751277352e-02 5.06 -3.638387665e-02 -3.638387665e-02 5.08 -3.528172021e-02 -3.528172021e-02 5.10 -3.420652020e-02 -3.420652020e-02 5.12 -3.315851365e-02 -3.315851365e-02 5.14 -3.213795147e-02 -3.213795147e-02 5.16 -3.114505940e-02 -3.114505940e-02 5.18 -3.017934861e-02 -3.017934861e-02 5.20 -2.923968763e-02 -2.923968763e-02 5.22 -2.832502747e-02 -2.832502747e-02 5.24 -2.743442351e-02 -2.743442351e-02 5.26 -2.656702486e-02 -2.656702486e-02 5.28 -2.572206365e-02 -2.572206365e-02 5.30 -2.489884436e-02 -2.489884436e-02 5.32 -2.409673320e-02 -2.409673320e-02 5.34 -2.331514737e-02 -2.331514737e-02 5.36 -2.255354440e-02 -2.255354440e-02 5.38 -2.181141153e-02 -2.181141153e-02 5.40 -2.108825497e-02 -2.108825497e-02 5.42 -2.038358928e-02 -2.038358928e-02 5.44 -1.969692665e-02 -1.969692665e-02 5.46 -1.902776628e-02 -1.902776628e-02 5.48 -1.837558366e-02 -1.837558366e-02 5.50 -1.773981992e-02 -1.773981992e-02 5.52 -1.711987115e-02 -1.711987115e-02 5.54 -1.651507776e-02 -1.651507776e-02 5.56 -1.592471374e-02 -1.592471374e-02 5.58 -1.534797605e-02 -1.534797605e-02 5.60 -1.478397392e-02 -1.478397392e-02 5.62 -1.423171819e-02 -1.423171819e-02 5.64 -1.369011061e-02 -1.369011061e-02 5.66 -1.315793320e-02 -1.315793320e-02 5.68 -1.263383756e-02 -1.263383756e-02 5.70 -1.211633420e-02 -1.211633420e-02 5.72 -1.160378571e-02 -1.160378571e-02 5.74 -1.109511090e-02 -1.109511090e-02 5.76 -1.059070030e-02 -1.059070030e-02 5.78 -1.009116614e-02 -1.009116614e-02 5.80 -9.597144243e-03 -9.597144243e-03 5.82 -9.109289838e-03 -9.109289838e-03 5.84 -8.628273341e-03 -8.628273341e-03 5.86 -8.154776156e-03 -8.154776156e-03 5.88 -7.689486465e-03 -7.689486465e-03 5.90 -7.233095020e-03 -7.233095020e-03 5.92 -6.786290938e-03 -6.786290938e-03 5.94 -6.349757493e-03 -6.349757493e-03 5.96 -5.924167908e-03 -5.924167908e-03 5.98 -5.510181151e-03 -5.510181151e-03 6.00 -5.108437723e-03 -5.108437723e-03