# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 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 -3.614371549e+02 -3.614371549e+02 1.06 -3.407151413e+02 -3.407151413e+02 1.08 -3.215276755e+02 -3.215276755e+02 1.10 -3.036078455e+02 -3.036078455e+02 1.12 -2.865698919e+02 -2.865698919e+02 1.14 -2.702706002e+02 -2.702706002e+02 1.16 -2.547781721e+02 -2.547781721e+02 1.18 -2.401768011e+02 -2.401768011e+02 1.20 -2.266903495e+02 -2.266903495e+02 1.22 -2.143677808e+02 -2.143677808e+02 1.24 -2.030129850e+02 -2.030129850e+02 1.26 -1.923954648e+02 -1.923954648e+02 1.28 -1.825317116e+02 -1.825317116e+02 1.30 -1.732198430e+02 -1.732198430e+02 1.32 -1.643201802e+02 -1.643201802e+02 1.34 -1.556844498e+02 -1.556844498e+02 1.36 -1.473239900e+02 -1.473239900e+02 1.38 -1.392466149e+02 -1.392466149e+02 1.40 -1.315087928e+02 -1.315087928e+02 1.42 -1.239508190e+02 -1.239508190e+02 1.44 -1.164498806e+02 -1.164498806e+02 1.46 -1.089747639e+02 -1.089747639e+02 1.48 -1.014599421e+02 -1.014599421e+02 1.50 -9.395584065e+01 -9.395584065e+01 1.52 -8.651879272e+01 -8.651879272e+01 1.54 -7.918175162e+01 -7.918175162e+01 1.56 -7.194601271e+01 -7.194601271e+01 1.58 -6.480031175e+01 -6.480031175e+01 1.60 -5.772918371e+01 -5.772918371e+01 1.62 -5.075783135e+01 -5.075783135e+01 1.64 -4.400174054e+01 -4.400174054e+01 1.66 -3.761739852e+01 -3.761739852e+01 1.68 -3.164238959e+01 -3.164238959e+01 1.70 -2.609651629e+01 -2.609651629e+01 1.72 -2.097694234e+01 -2.097694234e+01 1.74 -1.630121456e+01 -1.630121456e+01 1.76 -1.207098580e+01 -1.207098580e+01 1.78 -8.392990995e+00 -8.392990995e+00 1.80 -5.668006229e+00 -5.668006229e+00 1.82 -3.769335018e+00 -3.769335018e+00 1.84 -2.490798532e+00 -2.490798532e+00 1.86 -1.677458467e+00 -1.677458467e+00 1.88 -1.209745934e+00 -1.209745934e+00 1.90 -9.894219271e-01 -9.894219271e-01 1.92 -9.389181553e-01 -9.389181553e-01 1.94 -1.003522463e+00 -1.003522463e+00 1.96 -1.146076523e+00 -1.146076523e+00 1.98 -1.339908015e+00 -1.339908015e+00 2.00 -1.561009017e+00 -1.561009122e+00 2.02 -1.793012431e+00 -1.793012431e+00 2.04 -2.033584772e+00 -2.033584772e+00 2.06 -2.273049745e+00 -2.273049745e+00 2.08 -2.507315819e+00 -2.507315819e+00 2.10 -2.733456870e+00 -2.733456870e+00 2.12 -2.949717113e+00 -2.949717113e+00 2.14 -3.140273222e+00 -3.140273222e+00 2.16 -3.319735731e+00 -3.319735731e+00 2.18 -3.480256395e+00 -3.480256395e+00 2.20 -3.619899723e+00 -3.619899723e+00 2.22 -3.738095686e+00 -3.738095686e+00 2.24 -3.837194381e+00 -3.837194381e+00 2.26 -3.920216864e+00 -3.920216864e+00 2.28 -3.989596665e+00 -3.989596665e+00 2.30 -4.047697254e+00 -4.047697254e+00 2.32 -4.097623524e+00 -4.097623524e+00 2.34 -4.127111741e+00 -4.127111741e+00 2.36 -4.158514554e+00 -4.158514554e+00 2.38 -4.186559343e+00 -4.186559343e+00 2.40 -4.197044046e+00 -4.197044046e+00 2.42 -4.209633050e+00 -4.209633050e+00 2.44 -4.216304853e+00 -4.216304853e+00 2.46 -4.216859332e+00 -4.216859332e+00 2.48 -4.212090392e+00 -4.212090392e+00 2.50 -4.202962542e+00 -4.202962542e+00 2.52 -4.189653207e+00 -4.189653207e+00 2.54 -4.171749582e+00 -4.171749582e+00 2.56 -4.148867403e+00 -4.148867403e+00 2.58 -4.120741315e+00 -4.120741315e+00 2.60 -4.085193295e+00 -4.085193295e+00 2.62 -4.045136816e+00 -4.045136816e+00 2.64 -3.999786291e+00 -3.999786291e+00 2.66 -3.949520253e+00 -3.949520253e+00 2.68 -3.894663466e+00 -3.894663466e+00 2.70 -3.835548566e+00 -3.835548566e+00 2.72 -3.772558049e+00 -3.772558049e+00 2.74 -3.706091895e+00 -3.706091895e+00 2.76 -3.636587055e+00 -3.636587055e+00 2.78 -3.564634135e+00 -3.564634135e+00 2.80 -3.491039317e+00 -3.491039317e+00 2.82 -3.416618792e+00 -3.416618792e+00 2.84 -3.342029479e+00 -3.342029479e+00 2.86 -3.267662841e+00 -3.267662841e+00 2.88 -3.193564148e+00 -3.193564148e+00 2.90 -3.119379866e+00 -3.119379866e+00 2.92 -3.044799465e+00 -3.044799465e+00 2.94 -2.969491637e+00 -2.969491637e+00 2.96 -2.892995401e+00 -2.892995401e+00 2.98 -2.814980143e+00 -2.814980143e+00 3.00 -2.733999042e+00 -2.733999042e+00 3.02 -2.649915627e+00 -2.649915627e+00 3.04 -2.565382423e+00 -2.565382423e+00 3.06 -2.479586221e+00 -2.479586221e+00 3.08 -2.392961398e+00 -2.392961398e+00 3.10 -2.306005390e+00 -2.306005390e+00 3.12 -2.219557112e+00 -2.219557112e+00 3.14 -2.126627905e+00 -2.126627905e+00 3.16 -2.038683281e+00 -2.038683281e+00 3.18 -1.951935278e+00 -1.951935278e+00 3.20 -1.866905092e+00 -1.866905092e+00 3.22 -1.783980689e+00 -1.783980689e+00 3.24 -1.703470175e+00 -1.703470175e+00 3.26 -1.625597609e+00 -1.625597609e+00 3.28 -1.550503940e+00 -1.550503940e+00 3.30 -1.478245636e+00 -1.478245636e+00 3.32 -1.408794296e+00 -1.408794296e+00 3.34 -1.342040516e+00 -1.342040516e+00 3.36 -1.277835940e+00 -1.277835940e+00 3.38 -1.216012134e+00 -1.216012134e+00 3.40 -1.156415706e+00 -1.156415706e+00 3.42 -1.099011208e+00 -1.099011208e+00 3.44 -1.043789175e+00 -1.043789175e+00 3.46 -9.907483725e-01 -9.907483725e-01 3.48 -9.398947156e-01 -9.398947156e-01 3.50 -8.912358122e-01 -8.912358122e-01 3.52 -8.447754722e-01 -8.447754722e-01 3.54 -8.005090738e-01 -8.005090738e-01 3.56 -7.584214007e-01 -7.584214007e-01 3.58 -7.184864679e-01 -7.184864679e-01 3.60 -6.806683317e-01 -6.806683317e-01 3.62 -6.449225673e-01 -6.449225673e-01 3.64 -6.112000198e-01 -6.112000198e-01 3.66 -5.794727429e-01 -5.794727429e-01 3.68 -5.467479719e-01 -5.467479719e-01 3.70 -5.173631465e-01 -5.173631465e-01 3.72 -4.894383776e-01 -4.894383776e-01 3.74 -4.628907412e-01 -4.628907412e-01 3.76 -4.376364092e-01 -4.376364092e-01 3.78 -4.135908557e-01 -4.135908557e-01 3.80 -3.906689469e-01 -3.906689469e-01 3.82 -3.687851859e-01 -3.687851859e-01 3.84 -3.478537861e-01 -3.478537861e-01 3.86 -3.277935868e-01 -3.277935868e-01 3.88 -3.085648713e-01 -3.085648713e-01 3.90 -2.901494844e-01 -2.901494844e-01 3.92 -2.725294749e-01 -2.725294749e-01 3.94 -2.556857453e-01 -2.556857453e-01 3.96 -2.395965850e-01 -2.395965850e-01 3.98 -2.242394939e-01 -2.242394939e-01 4.00 -2.095912125e-01 -2.095912125e-01 4.02 -1.956276093e-01 -1.956276093e-01 4.04 -1.823237152e-01 -1.823237152e-01 4.06 -1.696536725e-01 -1.696536725e-01 4.08 -1.575904433e-01 -1.575904433e-01 4.10 -1.461060870e-01 -1.461060870e-01 4.12 -1.351711940e-01 -1.351711940e-01 4.14 -1.247417668e-01 -1.247417668e-01 4.16 -1.147508549e-01 -1.147508549e-01 4.18 -1.051283067e-01 -1.051283067e-01 4.20 -9.582333857e-02 -9.582333857e-02 4.22 -8.698780767e-02 -8.698780767e-02 4.24 -7.868904993e-02 -7.868904993e-02 4.26 -7.050212200e-02 -7.050212200e-02 4.28 -6.201996933e-02 -6.201996933e-02 4.30 -5.296940002e-02 -5.296940002e-02 4.32 -4.321083861e-02 -4.321083861e-02 4.34 -3.273329666e-02 -3.273329666e-02 4.36 -2.164439587e-02 -2.164439587e-02 4.38 -1.015569650e-02 -1.015569650e-02 4.40 1.437322115e-03 1.437322115e-03 4.42 1.277926388e-02 1.277926388e-02 4.44 2.348284610e-02 2.348284610e-02 4.46 3.315965864e-02 3.315965864e-02 4.48 4.145235591e-02 4.145235591e-02 4.50 4.806543523e-02 4.806543523e-02 4.52 5.280106949e-02 5.280106949e-02 4.54 5.564513283e-02 5.564513283e-02 4.56 5.674989867e-02 5.674989867e-02 4.58 5.637596482e-02 5.637596482e-02 4.60 5.486137733e-02 5.486137733e-02 4.62 5.258606728e-02 5.258606728e-02 4.64 4.993433185e-02 4.993433185e-02 4.66 4.725917365e-02 4.725917365e-02 4.68 4.485355913e-02 4.485355913e-02 4.70 4.293178125e-02 4.293178125e-02 4.72 4.162198084e-02 4.162198084e-02 4.74 4.096953915e-02 4.096953915e-02 4.76 4.094879595e-02 4.094879595e-02 4.78 4.149387170e-02 4.149387170e-02 4.80 4.250792104e-02 4.250792104e-02 4.82 4.385273304e-02 4.385273304e-02 4.84 4.538256337e-02 4.538256337e-02 4.86 4.696152127e-02 4.696152127e-02 4.88 4.847302184e-02 4.847302184e-02 4.90 4.982591877e-02 4.982591877e-02 4.92 5.095628119e-02 5.095628119e-02 4.94 5.182592526e-02 5.182592526e-02 4.96 5.241806393e-02 5.241806393e-02 4.98 5.273780933e-02 5.273780933e-02 5.00 5.279929439e-02 5.279929439e-02 5.02 5.261818177e-02 5.261818177e-02 5.04 5.220669167e-02 5.220669167e-02 5.06 5.157125846e-02 5.157125846e-02 5.08 5.071184335e-02 5.071184335e-02 5.10 4.962293606e-02 4.962293606e-02 5.12 4.829501729e-02 4.829501729e-02 5.14 4.671560811e-02 4.671560811e-02 5.16 4.487124254e-02 4.487124254e-02 5.18 4.274904410e-02 4.274904410e-02 5.20 4.144093926e-02 4.144093926e-02 5.22 3.931722169e-02 3.931722169e-02 5.24 3.707829905e-02 3.707829905e-02 5.26 3.474821412e-02 3.474821412e-02 5.28 3.235171615e-02 3.235171615e-02 5.30 2.991367250e-02 2.991367250e-02 5.32 2.745865177e-02 2.745865177e-02 5.34 2.501033190e-02 2.501033190e-02 5.36 2.259117655e-02 2.259117655e-02 5.38 2.022254330e-02 2.022254330e-02 5.40 1.792465785e-02 1.792465785e-02 5.42 1.571669447e-02 1.571669447e-02 5.44 1.361726247e-02 1.361726247e-02 5.46 1.164447379e-02 1.164447379e-02 5.48 9.816099095e-03 9.816099095e-03 5.50 8.149787045e-03 8.149787045e-03 5.52 6.663064803e-03 6.663064803e-03 5.54 5.364894207e-03 5.364894207e-03 5.56 4.245268936e-03 4.245268936e-03 5.58 3.291575647e-03 3.291575647e-03 5.60 2.491124285e-03 2.491124285e-03 5.62 1.831041498e-03 1.831041498e-03 5.64 1.298371474e-03 1.298371474e-03 5.66 8.799035817e-04 8.799035817e-04 5.68 5.621987669e-04 5.621987669e-04 5.70 3.317232015e-04 3.317232015e-04 5.72 1.746969933e-04 1.746969933e-04 5.74 7.710320718e-05 7.710320718e-05 5.76 2.492462240e-05 2.492462240e-05 5.78 3.975374896e-06 3.975374896e-06 5.80 1.032206832e-08 1.032206832e-08 5.82 -1.286221967e-06 -1.286221967e-06 5.84 -1.418791999e-05 -1.418791999e-05 5.86 -5.303032213e-05 -5.303032213e-05 5.88 -1.320852777e-04 -1.320852777e-04 5.90 -2.656745120e-04 -2.656745120e-04 5.92 -4.680445454e-04 -4.680445454e-04 5.94 -7.535407395e-04 -7.535407395e-04 5.96 -1.136469579e-03 -1.136469579e-03 5.98 -1.631025210e-03 -1.631025210e-03 6.00 -1.087414625e-03 -1.075557768e-03