# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlFe2Ni # 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 -5.456543077e+02 -5.456543077e+02 1.04 -5.143981641e+02 -5.143981641e+02 1.06 -4.857560378e+02 -4.857560378e+02 1.08 -4.590562792e+02 -4.590562792e+02 1.10 -4.338677230e+02 -4.338677230e+02 1.12 -4.102200613e+02 -4.102200613e+02 1.14 -3.882039485e+02 -3.882039485e+02 1.16 -3.677073929e+02 -3.677073929e+02 1.18 -3.483450580e+02 -3.483450580e+02 1.20 -3.296673378e+02 -3.296673378e+02 1.22 -3.115889839e+02 -3.115889839e+02 1.24 -2.944639351e+02 -2.944639351e+02 1.26 -2.787335284e+02 -2.787335284e+02 1.28 -2.645325795e+02 -2.645325795e+02 1.30 -2.516233751e+02 -2.516233751e+02 1.32 -2.396765072e+02 -2.396765072e+02 1.34 -2.283847692e+02 -2.283847692e+02 1.36 -2.174313785e+02 -2.174313785e+02 1.38 -2.065385312e+02 -2.065385312e+02 1.40 -1.955938363e+02 -1.955938363e+02 1.42 -1.846466586e+02 -1.846466586e+02 1.44 -1.737898963e+02 -1.737898963e+02 1.46 -1.630174699e+02 -1.630174699e+02 1.48 -1.522899095e+02 -1.522899095e+02 1.50 -1.416754740e+02 -1.416754740e+02 1.52 -1.312798696e+02 -1.312798696e+02 1.54 -1.212010078e+02 -1.212010078e+02 1.56 -1.115723780e+02 -1.115723780e+02 1.58 -1.025883238e+02 -1.025883238e+02 1.60 -9.438378619e+01 -9.438378619e+01 1.62 -8.692163865e+01 -8.692163865e+01 1.64 -8.009083080e+01 -8.009083080e+01 1.66 -7.381029150e+01 -7.381029150e+01 1.68 -6.803507053e+01 -6.803507053e+01 1.70 -6.271129550e+01 -6.271129550e+01 1.72 -5.775356286e+01 -5.775356286e+01 1.74 -5.306311464e+01 -5.306311464e+01 1.76 -4.857595481e+01 -4.857595481e+01 1.78 -4.426085103e+01 -4.426085103e+01 1.80 -4.010511785e+01 -4.010511785e+01 1.82 -3.609702621e+01 -3.609702621e+01 1.84 -3.221821109e+01 -3.221821109e+01 1.86 -2.845461419e+01 -2.845461419e+01 1.88 -2.481323788e+01 -2.481323788e+01 1.90 -2.132410162e+01 -2.132410162e+01 1.92 -1.803265278e+01 -1.803265278e+01 1.94 -1.497161598e+01 -1.497161598e+01 1.96 -1.214051798e+01 -1.214051798e+01 1.98 -9.725318294e+00 -9.725318294e+00 2.00 -7.766381699e+00 -7.766381699e+00 2.02 -6.222161181e+00 -6.222161181e+00 2.04 -5.037051139e+00 -5.037051139e+00 2.06 -4.176748311e+00 -4.176748311e+00 2.08 -3.598762683e+00 -3.598762683e+00 2.10 -3.253442210e+00 -3.253442210e+00 2.12 -3.087183436e+00 -3.087183436e+00 2.14 -3.047943740e+00 -3.047943740e+00 2.16 -3.090987482e+00 -3.090987482e+00 2.18 -3.181613393e+00 -3.181613393e+00 2.20 -3.294469323e+00 -3.294469323e+00 2.22 -3.412562360e+00 -3.412562360e+00 2.24 -3.528068339e+00 -3.528068339e+00 2.26 -3.639156868e+00 -3.639156868e+00 2.28 -3.744978761e+00 -3.744978761e+00 2.30 -3.844599793e+00 -3.844599793e+00 2.32 -3.935713668e+00 -3.935713668e+00 2.34 -4.015425818e+00 -4.015425818e+00 2.36 -4.081785126e+00 -4.081785126e+00 2.38 -4.133885664e+00 -4.133885664e+00 2.40 -4.171869758e+00 -4.171869758e+00 2.42 -4.197021602e+00 -4.197021602e+00 2.44 -4.211309380e+00 -4.211309380e+00 2.46 -4.216623177e+00 -4.216623177e+00 2.48 -4.214882977e+00 -4.214882977e+00 2.50 -4.208156282e+00 -4.208156282e+00 2.52 -4.198010649e+00 -4.198010649e+00 2.54 -4.184557874e+00 -4.184557874e+00 2.56 -4.167765995e+00 -4.167765995e+00 2.58 -4.147741423e+00 -4.147741423e+00 2.60 -4.124694179e+00 -4.124694179e+00 2.62 -4.098716136e+00 -4.098716136e+00 2.64 -4.069771636e+00 -4.069771636e+00 2.66 -4.037779470e+00 -4.037779470e+00 2.68 -4.002404315e+00 -4.002404315e+00 2.70 -3.963527600e+00 -3.963527600e+00 2.72 -3.921452786e+00 -3.921452786e+00 2.74 -3.876313951e+00 -3.876313951e+00 2.76 -3.827915639e+00 -3.827915639e+00 2.78 -3.775924202e+00 -3.775924202e+00 2.80 -3.719890176e+00 -3.719890176e+00 2.82 -3.659439447e+00 -3.659439447e+00 2.84 -3.594491438e+00 -3.594491438e+00 2.86 -3.525510053e+00 -3.525510053e+00 2.88 -3.453549100e+00 -3.453549100e+00 2.90 -3.380098729e+00 -3.380098729e+00 2.92 -3.306670119e+00 -3.306670119e+00 2.94 -3.234751767e+00 -3.234751767e+00 2.96 -3.165680731e+00 -3.165680731e+00 2.98 -3.100504622e+00 -3.100504622e+00 3.00 -3.039990544e+00 -3.039990544e+00 3.02 -2.984674942e+00 -2.984674942e+00 3.04 -2.934939976e+00 -2.934939976e+00 3.06 -2.891220610e+00 -2.891220610e+00 3.08 -2.853973390e+00 -2.853973390e+00 3.10 -2.822999679e+00 -2.822999679e+00 3.12 -2.793240732e+00 -2.793240732e+00 3.14 -2.757116513e+00 -2.757116513e+00 3.16 -2.707459708e+00 -2.707459708e+00 3.18 -2.637594903e+00 -2.637594903e+00 3.20 -2.541463588e+00 -2.541463588e+00 3.22 -2.413831665e+00 -2.413831665e+00 3.24 -2.250873058e+00 -2.250873058e+00 3.26 -2.050904642e+00 -2.050904642e+00 3.28 -1.815054396e+00 -1.815054396e+00 3.30 -1.547605381e+00 -1.547605381e+00 3.32 -1.257685868e+00 -1.257685868e+00 3.34 -9.619173086e-01 -9.619173086e-01 3.36 -6.739036179e-01 -6.739036179e-01 3.38 -4.015370700e-01 -4.015370700e-01 3.40 -1.479168353e-01 -1.479168353e-01 3.42 8.716978392e-02 8.716978392e-02 3.44 3.056511753e-01 3.056511753e-01 3.46 5.099309797e-01 5.099309797e-01 3.48 7.021295033e-01 7.021295033e-01 3.50 8.837570687e-01 8.837570687e-01 3.52 1.055610135e+00 1.055610135e+00 3.54 1.217697283e+00 1.217697283e+00 3.56 1.369728046e+00 1.369728046e+00 3.58 1.511506964e+00 1.511506964e+00 3.60 1.643092600e+00 1.643092600e+00 3.62 1.764629611e+00 1.764629611e+00 3.64 1.876317085e+00 1.876317085e+00 3.66 1.978391486e+00 1.978391486e+00 3.68 2.071116522e+00 2.071116522e+00 3.70 2.154773859e+00 2.154773859e+00 3.72 2.229664496e+00 2.229664496e+00 3.74 2.296095965e+00 2.296095965e+00 3.76 2.354359287e+00 2.354359287e+00 3.78 2.404721176e+00 2.404721176e+00 3.80 2.447417502e+00 2.447417502e+00 3.82 2.482822237e+00 2.482822237e+00 3.84 2.512692028e+00 2.512692028e+00 3.86 2.538399286e+00 2.538399286e+00 3.88 2.560080644e+00 2.560080644e+00 3.90 2.577117270e+00 2.577117270e+00 3.92 2.588495829e+00 2.588495829e+00 3.94 2.593087904e+00 2.593087904e+00 3.96 2.589865076e+00 2.589865076e+00 3.98 2.578016792e+00 2.578016792e+00 4.00 2.557015492e+00 2.557015492e+00 4.02 2.526643938e+00 2.526643938e+00 4.04 2.486987825e+00 2.486987825e+00 4.06 2.438408156e+00 2.438408156e+00 4.08 2.381494193e+00 2.381494193e+00 4.10 2.317008345e+00 2.317008345e+00 4.12 2.245830978e+00 2.245830978e+00 4.14 2.168895371e+00 2.168895371e+00 4.16 2.087128979e+00 2.087128979e+00 4.18 2.001418481e+00 2.001418481e+00 4.20 1.912573218e+00 1.912573218e+00 4.22 1.821299980e+00 1.821299980e+00 4.24 1.728181549e+00 1.728181549e+00 4.26 1.633667544e+00 1.633667544e+00 4.28 1.538012301e+00 1.538012301e+00 4.30 1.441081629e+00 1.441081629e+00 4.32 1.342518436e+00 1.342518436e+00 4.34 1.241829945e+00 1.241829945e+00 4.36 1.138463009e+00 1.138463009e+00 4.38 1.032098501e+00 1.032098501e+00 4.40 9.224977912e-01 9.224977912e-01 4.42 8.094062451e-01 8.094062451e-01 4.44 6.925796564e-01 6.925796564e-01 4.46 5.718142651e-01 5.718142651e-01 4.48 4.469886682e-01 4.469886682e-01 4.50 3.181135941e-01 3.181135941e-01 4.52 1.854120826e-01 1.854120826e-01 4.54 4.954377146e-02 4.954377146e-02 4.56 -8.689415495e-02 -8.689415495e-02 4.58 -2.041565474e-01 -2.041565474e-01 4.60 -2.767101107e-01 -2.767101107e-01 4.62 -2.865414140e-01 -2.865414140e-01 4.64 -2.259038488e-01 -2.259038488e-01 4.66 -9.881253531e-02 -9.881253531e-02 4.68 7.942644706e-02 7.942644706e-02 4.70 2.850093432e-01 2.850093432e-01 4.72 4.903244380e-01 4.903244380e-01 4.74 6.694220547e-01 6.694220547e-01 4.76 8.027266797e-01 8.027266797e-01 4.78 8.797498964e-01 8.797498964e-01 4.80 8.993493630e-01 8.993493630e-01 4.82 8.679471927e-01 8.679471927e-01 4.84 7.966203631e-01 7.966203631e-01 4.86 6.981002174e-01 6.981002174e-01 4.88 5.844451025e-01 5.844451025e-01 4.90 4.656300442e-01 4.656300442e-01 4.92 3.490250500e-01 3.490250500e-01 4.94 2.394882744e-01 2.394882744e-01 4.96 1.397983937e-01 1.397983937e-01 4.98 5.120188571e-02 5.120188571e-02 5.00 -2.606458855e-02 -2.606458855e-02 5.02 -9.244815275e-02 -9.244815275e-02 5.04 -1.489365498e-01 -1.489365498e-01 5.06 -1.962961925e-01 -1.962961925e-01 5.08 -2.351096881e-01 -2.351096881e-01 5.10 -2.659258658e-01 -2.659258658e-01 5.12 -2.892662196e-01 -2.892662196e-01 5.14 -3.056338179e-01 -3.056338179e-01 5.16 -3.155216882e-01 -3.155216882e-01 5.18 -3.194221500e-01 -3.194221500e-01 5.20 -3.178372554e-01 -3.178372554e-01 5.22 -3.112894063e-01 -3.112894063e-01 5.24 -3.003309060e-01 -3.003309060e-01 5.26 -2.855471466e-01 -2.855471466e-01 5.28 -2.675605603e-01 -2.675605603e-01 5.30 -2.470314826e-01 -2.470314826e-01 5.32 -2.246512058e-01 -2.246512058e-01 5.34 -2.011292659e-01 -2.011292659e-01 5.36 -1.771718133e-01 -1.771718133e-01 5.38 -1.534551365e-01 -1.534551365e-01 5.40 -1.305957064e-01 -1.305957064e-01 5.42 -1.091225796e-01 -1.091225796e-01 5.44 -8.945271829e-02 -8.945271829e-02 5.46 -7.187797945e-02 -7.187797945e-02 5.48 -5.656048443e-02 -5.656048443e-02 5.50 -4.354059987e-02 -4.354059987e-02 5.52 -3.275282599e-02 -3.275282599e-02 5.54 -2.404402225e-02 -2.404402225e-02 5.56 -1.719455200e-02 -1.719455200e-02 5.58 -1.195132994e-02 -1.195132994e-02 5.60 -8.050149849e-03 -8.050149849e-03 5.62 -5.234582082e-03 -5.234582082e-03 5.64 -3.268578952e-03 -3.268578952e-03 5.66 -1.945508074e-03 -1.945508074e-03 5.68 -1.092060423e-03 -1.092060423e-03 5.70 -5.681071578e-04 -5.681071578e-04 5.72 -2.660047490e-04 -2.660047490e-04 5.74 -1.060190808e-04 -1.060190808e-04 5.76 -3.148724526e-05 -3.148724526e-05 5.78 -4.768181840e-06 -4.768181840e-06 5.80 -1.679076185e-08 -1.679076185e-08 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