# 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 = CoCrNi2 # 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 -3.560790034e+02 -3.560790034e+02 1.06 -3.357396259e+02 -3.357396259e+02 1.08 -3.169197872e+02 -3.169197872e+02 1.10 -2.993395435e+02 -2.993395435e+02 1.12 -2.826251157e+02 -2.826251157e+02 1.14 -2.666170142e+02 -2.666170142e+02 1.16 -2.513697120e+02 -2.513697120e+02 1.18 -2.369479782e+02 -2.369479782e+02 1.20 -2.235551275e+02 -2.235551275e+02 1.22 -2.112721861e+02 -2.112721861e+02 1.24 -1.999805267e+02 -1.999805267e+02 1.26 -1.894900029e+02 -1.894900029e+02 1.28 -1.798058178e+02 -1.798058178e+02 1.30 -1.706909354e+02 -1.706909354e+02 1.32 -1.620027973e+02 -1.620027973e+02 1.34 -1.535938257e+02 -1.535938257e+02 1.36 -1.454543848e+02 -1.454543848e+02 1.38 -1.375598020e+02 -1.375598020e+02 1.40 -1.299541619e+02 -1.299541619e+02 1.42 -1.224888416e+02 -1.224888416e+02 1.44 -1.150647916e+02 -1.150647916e+02 1.46 -1.076635276e+02 -1.076635276e+02 1.48 -1.002125876e+02 -1.002125876e+02 1.50 -9.275606707e+01 -9.275606707e+01 1.52 -8.534699746e+01 -8.534699746e+01 1.54 -7.802153977e+01 -7.802153977e+01 1.56 -7.079371043e+01 -7.079371043e+01 1.58 -6.367667637e+01 -6.367667637e+01 1.60 -5.667547840e+01 -5.667547840e+01 1.62 -4.981599173e+01 -4.981599173e+01 1.64 -4.319495918e+01 -4.319495918e+01 1.66 -3.694710281e+01 -3.694710281e+01 1.68 -3.109401836e+01 -3.109401836e+01 1.70 -2.564823900e+01 -2.564823900e+01 1.72 -2.060246594e+01 -2.060246594e+01 1.74 -1.597316784e+01 -1.597316784e+01 1.76 -1.176284379e+01 -1.176284379e+01 1.78 -8.103055892e+00 -8.103055892e+00 1.80 -5.416625379e+00 -5.416625379e+00 1.82 -3.553455150e+00 -3.553455150e+00 1.84 -2.306868969e+00 -2.306868969e+00 1.86 -1.521993991e+00 -1.521993991e+00 1.88 -1.078993714e+00 -1.078993714e+00 1.90 -8.811436958e-01 -8.811436958e-01 1.92 -8.524496252e-01 -8.524496252e-01 1.94 -9.387217929e-01 -9.387217929e-01 1.96 -1.101995145e+00 -1.101995145e+00 1.98 -1.314361666e+00 -1.314361666e+00 2.00 -1.550150795e+00 -1.550150862e+00 2.02 -1.792405554e+00 -1.792405554e+00 2.04 -2.039963872e+00 -2.039963872e+00 2.06 -2.283369699e+00 -2.283369699e+00 2.08 -2.519567639e+00 -2.519567639e+00 2.10 -2.746810036e+00 -2.746810036e+00 2.12 -2.964276890e+00 -2.964276890e+00 2.14 -3.155894290e+00 -3.155894290e+00 2.16 -3.339353261e+00 -3.339353261e+00 2.18 -3.505467124e+00 -3.505467124e+00 2.20 -3.651263090e+00 -3.651263090e+00 2.22 -3.775399850e+00 -3.775399850e+00 2.24 -3.880260581e+00 -3.880260581e+00 2.26 -3.967882537e+00 -3.967882537e+00 2.28 -4.040237286e+00 -4.040237286e+00 2.30 -4.100144227e+00 -4.100144227e+00 2.32 -4.151192371e+00 -4.151192371e+00 2.34 -4.179642436e+00 -4.179642436e+00 2.36 -4.210556593e+00 -4.210556593e+00 2.38 -4.238032273e+00 -4.238032273e+00 2.40 -4.246124135e+00 -4.246124135e+00 2.42 -4.257275116e+00 -4.257275116e+00 2.44 -4.262663569e+00 -4.262663569e+00 2.46 -4.262398125e+00 -4.262398125e+00 2.48 -4.257335454e+00 -4.257335454e+00 2.50 -4.248298656e+00 -4.248298656e+00 2.52 -4.235081171e+00 -4.235081171e+00 2.54 -4.217112846e+00 -4.217112846e+00 2.56 -4.193985351e+00 -4.193985351e+00 2.58 -4.165413030e+00 -4.165413030e+00 2.60 -4.128877133e+00 -4.128877133e+00 2.62 -4.087637534e+00 -4.087637534e+00 2.64 -4.040742045e+00 -4.040742045e+00 2.66 -3.988561742e+00 -3.988561742e+00 2.68 -3.931414512e+00 -3.931414512e+00 2.70 -3.869634865e+00 -3.869634865e+00 2.72 -3.803624398e+00 -3.803624398e+00 2.74 -3.733827369e+00 -3.733827369e+00 2.76 -3.660763993e+00 -3.660763993e+00 2.78 -3.585151094e+00 -3.585151094e+00 2.80 -3.507973546e+00 -3.507973546e+00 2.82 -3.430253028e+00 -3.430253028e+00 2.84 -3.352838618e+00 -3.352838618e+00 2.86 -3.276237172e+00 -3.276237172e+00 2.88 -3.200391208e+00 -3.200391208e+00 2.90 -3.124913866e+00 -3.124913866e+00 2.92 -3.049656851e+00 -3.049656851e+00 2.94 -2.974162495e+00 -2.974162495e+00 2.96 -2.897643964e+00 -2.897643964e+00 2.98 -2.819588585e+00 -2.819588585e+00 3.00 -2.738351653e+00 -2.738351653e+00 3.02 -2.653658619e+00 -2.653658619e+00 3.04 -2.568310767e+00 -2.568310767e+00 3.06 -2.481363176e+00 -2.481363176e+00 3.08 -2.393230509e+00 -2.393230509e+00 3.10 -2.304348403e+00 -2.304348403e+00 3.12 -2.215184269e+00 -2.215184269e+00 3.14 -2.117328231e+00 -2.117328231e+00 3.16 -2.024445947e+00 -2.024445947e+00 3.18 -1.932424880e+00 -1.932424880e+00 3.20 -1.842020248e+00 -1.842020248e+00 3.22 -1.753806246e+00 -1.753806246e+00 3.24 -1.668247539e+00 -1.668247539e+00 3.26 -1.585705296e+00 -1.585705296e+00 3.28 -1.506439447e+00 -1.506439447e+00 3.30 -1.430603136e+00 -1.430603136e+00 3.32 -1.358234573e+00 -1.358234573e+00 3.34 -1.289251770e+00 -1.289251770e+00 3.36 -1.223490877e+00 -1.223490877e+00 3.38 -1.160726549e+00 -1.160726549e+00 3.40 -1.100720061e+00 -1.100720061e+00 3.42 -1.043345881e+00 -1.043345881e+00 3.44 -9.885045409e-01 -9.885045409e-01 3.46 -9.361142435e-01 -9.361142435e-01 3.48 -8.861157580e-01 -8.861157580e-01 3.50 -8.384682766e-01 -8.384682766e-01 3.52 -7.931418913e-01 -7.931418913e-01 3.54 -7.501097700e-01 -7.501097700e-01 3.56 -7.093418879e-01 -7.093418879e-01 3.58 -6.708015073e-01 -6.708015073e-01 3.60 -6.344438633e-01 -6.344438633e-01 3.62 -6.002172175e-01 -6.002172175e-01 3.64 -5.680680124e-01 -5.680680124e-01 3.66 -5.379696087e-01 -5.379696087e-01 3.68 -5.066676449e-01 -5.066676449e-01 3.70 -4.788827505e-01 -4.788827505e-01 3.72 -4.525763874e-01 -4.525763874e-01 3.74 -4.276640932e-01 -4.276640932e-01 3.76 -4.040610646e-01 -4.040610646e-01 3.78 -3.816822731e-01 -3.816822731e-01 3.80 -3.604425674e-01 -3.604425674e-01 3.82 -3.402567960e-01 -3.402567960e-01 3.84 -3.210398433e-01 -3.210398433e-01 3.86 -3.027115677e-01 -3.027115677e-01 3.88 -2.852324414e-01 -2.852324414e-01 3.90 -2.685837352e-01 -2.685837352e-01 3.92 -2.527466624e-01 -2.527466624e-01 3.94 -2.377007827e-01 -2.377007827e-01 3.96 -2.234224070e-01 -2.234224070e-01 3.98 -2.098869569e-01 -2.098869569e-01 4.00 -1.970690222e-01 -1.970690222e-01 4.02 -1.849423908e-01 -1.849423908e-01 4.04 -1.734801520e-01 -1.734801520e-01 4.06 -1.626546985e-01 -1.626546985e-01 4.08 -1.524376358e-01 -1.524376358e-01 4.10 -1.427999299e-01 -1.427999299e-01 4.12 -1.337116090e-01 -1.337116090e-01 4.14 -1.251286062e-01 -1.251286062e-01 4.16 -1.169845796e-01 -1.169845796e-01 4.18 -1.092106290e-01 -1.092106290e-01 4.20 -1.017451345e-01 -1.017451345e-01 4.22 -9.456856893e-02 -9.456856893e-02 4.24 -8.767487053e-02 -8.767487053e-02 4.26 -8.106090565e-02 -8.106090565e-02 4.28 -7.472142751e-02 -7.472142751e-02 4.30 -6.864911163e-02 -6.864911163e-02 4.32 -6.283528975e-02 -6.283528975e-02 4.34 -5.727067325e-02 -5.727067325e-02 4.36 -5.194607901e-02 -5.194607901e-02 4.38 -4.685263363e-02 -4.685263363e-02 4.40 -4.198213617e-02 -4.198213617e-02 4.42 -3.732712954e-02 -3.732712954e-02 4.44 -3.288107015e-02 -3.288107015e-02 4.46 -2.863854948e-02 -2.863854948e-02 4.48 -2.459520403e-02 -2.459520403e-02 4.50 -2.074786034e-02 -2.074786034e-02 4.52 -1.709480483e-02 -1.709480483e-02 4.54 -1.363649742e-02 -1.363649742e-02 4.56 -1.037470887e-02 -1.037470887e-02 4.58 -7.312567787e-03 -7.312567787e-03 4.60 -4.454746889e-03 -4.454746889e-03 4.62 -1.807129187e-03 -1.807129187e-03 4.64 6.232813738e-04 6.232813738e-04 4.66 2.829564599e-03 2.829564599e-03 4.68 4.841582209e-03 4.841582209e-03 4.70 6.697221109e-03 6.697221109e-03 4.72 8.429056203e-03 8.429056203e-03 4.74 1.006494331e-02 1.006494331e-02 4.76 1.162902017e-02 1.162902017e-02 4.78 1.315617122e-02 1.315617122e-02 4.80 1.468204191e-02 1.468204191e-02 4.82 1.621237061e-02 1.621237061e-02 4.84 1.774240794e-02 1.774240794e-02 4.86 1.926067827e-02 1.926067827e-02 4.88 2.074867182e-02 2.074867182e-02 4.90 2.218151615e-02 2.218151615e-02 4.92 2.352892306e-02 2.352892306e-02 4.94 2.475640965e-02 2.475640965e-02 4.96 2.582691521e-02 2.582691521e-02 4.98 2.670276545e-02 2.670276545e-02 5.00 2.734721418e-02 2.734721418e-02 5.02 2.772685694e-02 2.772685694e-02 5.04 2.781327946e-02 2.781327946e-02 5.06 2.758529735e-02 2.758529735e-02 5.08 2.702996939e-02 2.702996939e-02 5.10 2.614401880e-02 2.614401880e-02 5.12 2.493446196e-02 2.493446196e-02 5.14 2.341843699e-02 2.341843699e-02 5.16 2.162274339e-02 2.162274339e-02 5.18 1.958218391e-02 1.958218391e-02 5.20 1.938736351e-02 1.938736351e-02 5.22 1.777813546e-02 1.777813546e-02 5.24 1.623639283e-02 1.623639283e-02 5.26 1.481644376e-02 1.481644376e-02 5.28 1.355676622e-02 1.355676622e-02 5.30 1.247676763e-02 1.247676763e-02 5.32 1.157564309e-02 1.157564309e-02 5.34 1.083341755e-02 1.083341755e-02 5.36 1.021459160e-02 1.021459160e-02 5.38 9.674361098e-03 9.674361098e-03 5.40 9.165471678e-03 9.165471678e-03 5.42 8.645365710e-03 8.645365710e-03 5.44 8.082321496e-03 8.082321496e-03 5.46 7.459001331e-03 7.459001331e-03 5.48 6.774108748e-03 6.774108748e-03 5.50 6.041703690e-03 6.041703690e-03 5.52 5.288805698e-03 5.288805698e-03 5.54 4.543182820e-03 4.543182820e-03 5.56 3.818265007e-03 3.818265007e-03 5.58 3.128328019e-03 3.128328019e-03 5.60 2.488258669e-03 2.488258669e-03 5.62 1.911668064e-03 1.911668064e-03 5.64 1.409191570e-03 1.409191570e-03 5.66 9.875987691e-04 9.875987691e-04 5.68 6.493020545e-04 6.493020545e-04 5.70 3.923348392e-04 3.923348392e-04 5.72 2.106140841e-04 2.106140841e-04 5.74 9.435224257e-05 9.435224257e-05 5.76 3.082515137e-05 3.082515137e-05 5.78 4.958940818e-06 4.958940818e-06 5.80 1.699931109e-08 1.699931109e-08 5.82 -1.604589071e-06 -1.604589071e-06 5.84 -1.772448974e-05 -1.772448974e-05 5.86 -6.618185713e-05 -6.618185713e-05 5.88 -1.648420185e-04 -1.648420185e-04 5.90 -3.315330639e-04 -3.315330639e-04 5.92 -5.840701252e-04 -5.840701252e-04 5.94 -9.403113565e-04 -9.403113565e-04 5.96 -1.418092264e-03 -1.418092264e-03 5.98 -2.035152705e-03 -2.035152705e-03 6.00 -1.351461939e-03 -1.347502253e-03