# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuPd2Pt # 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 1.073147750e+03 1.073147750e+03 1.00 9.860043775e+02 9.860043775e+02 1.02 9.066854677e+02 9.066854677e+02 1.04 8.343939784e+02 8.343939784e+02 1.06 7.684261991e+02 7.684261991e+02 1.08 7.081589050e+02 7.081589050e+02 1.10 6.530371811e+02 6.530371811e+02 1.12 6.025682996e+02 6.025682996e+02 1.14 5.563126782e+02 5.563126782e+02 1.16 5.138769910e+02 5.138769910e+02 1.18 4.749097734e+02 4.749097734e+02 1.20 4.390959511e+02 4.390959511e+02 1.22 4.061522830e+02 4.061522830e+02 1.24 3.758232374e+02 3.758232374e+02 1.26 3.478792546e+02 3.478792546e+02 1.28 3.221134148e+02 3.221134148e+02 1.30 2.983388723e+02 2.983388723e+02 1.32 2.763857192e+02 2.763857192e+02 1.34 2.561006004e+02 2.561006004e+02 1.36 2.373445053e+02 2.373445053e+02 1.38 2.199912237e+02 2.199912237e+02 1.40 2.039260661e+02 2.039260661e+02 1.42 1.890445302e+02 1.890445302e+02 1.44 1.752511950e+02 1.752511950e+02 1.46 1.624593561e+02 1.624593561e+02 1.48 1.505897830e+02 1.505897830e+02 1.50 1.395701905e+02 1.395701905e+02 1.52 1.293344859e+02 1.293344859e+02 1.54 1.198222317e+02 1.198222317e+02 1.56 1.109780016e+02 1.109780016e+02 1.58 1.027508238e+02 1.027508238e+02 1.60 9.509392647e+01 9.509392647e+01 1.62 8.796467101e+01 8.796467101e+01 1.64 8.132375988e+01 8.132375988e+01 1.66 7.513516078e+01 7.513516078e+01 1.68 6.936572837e+01 6.936572837e+01 1.70 6.398493839e+01 6.398493839e+01 1.72 5.896467512e+01 5.896467512e+01 1.74 5.427900463e+01 5.427900463e+01 1.76 4.990402628e+01 4.990402628e+01 1.78 4.581780823e+01 4.581780823e+01 1.80 4.199980597e+01 4.199980597e+01 1.82 3.843114554e+01 3.843114554e+01 1.84 3.509887793e+01 3.509887793e+01 1.86 3.198701625e+01 3.198701625e+01 1.88 2.908235950e+01 2.908235950e+01 1.90 2.637755010e+01 2.637755010e+01 1.92 2.385946082e+01 2.385946082e+01 1.94 2.151659209e+01 2.151659209e+01 1.96 1.933813160e+01 1.933813160e+01 1.98 1.731390835e+01 1.731390835e+01 2.00 1.543433974e+01 1.543433974e+01 2.02 1.369043305e+01 1.369043305e+01 2.04 1.207372794e+01 1.207372794e+01 2.06 1.057623143e+01 1.057623143e+01 2.08 9.190352605e+00 9.190352605e+00 2.10 7.909071010e+00 7.909071010e+00 2.12 6.725592486e+00 6.725592486e+00 2.14 5.633683467e+00 5.633683467e+00 2.16 4.627501561e+00 4.627501561e+00 2.18 3.701531870e+00 3.701531870e+00 2.20 2.850616871e+00 2.850616871e+00 2.22 2.069817511e+00 2.069817511e+00 2.24 1.354734267e+00 1.354734267e+00 2.26 7.009513191e-01 7.009513191e-01 2.28 1.043396958e-01 1.043396958e-01 2.30 -4.389881496e-01 -4.389881496e-01 2.32 -9.327516614e-01 -9.327516614e-01 2.34 -1.380194857e+00 -1.380194857e+00 2.36 -1.784426504e+00 -1.784426504e+00 2.38 -2.148536481e+00 -2.148536481e+00 2.40 -2.475114562e+00 -2.475114562e+00 2.42 -2.766687051e+00 -2.766687051e+00 2.44 -3.026096039e+00 -3.026096039e+00 2.46 -3.255675438e+00 -3.255675438e+00 2.48 -3.457618201e+00 -3.457618201e+00 2.50 -3.633973414e+00 -3.633973414e+00 2.52 -3.786441666e+00 -3.786441666e+00 2.54 -3.917059472e+00 -3.917059472e+00 2.56 -4.027515350e+00 -4.027515350e+00 2.58 -4.119389474e+00 -4.119389474e+00 2.60 -4.194159325e+00 -4.194159325e+00 2.62 -4.253156909e+00 -4.253156909e+00 2.64 -4.297668845e+00 -4.297668845e+00 2.66 -4.329179053e+00 -4.329179053e+00 2.68 -4.348434915e+00 -4.348434915e+00 2.70 -4.356495480e+00 -4.356495480e+00 2.72 -4.354484935e+00 -4.354484935e+00 2.74 -4.343313453e+00 -4.343313453e+00 2.76 -4.323816165e+00 -4.323816165e+00 2.78 -4.297929942e+00 -4.297929942e+00 2.80 -4.265965128e+00 -4.265965128e+00 2.82 -4.227823659e+00 -4.227823659e+00 2.84 -4.184135031e+00 -4.184135031e+00 2.86 -4.135486494e+00 -4.135486494e+00 2.88 -4.082418522e+00 -4.082418522e+00 2.90 -4.025413011e+00 -4.025413011e+00 2.92 -3.964572137e+00 -3.964572137e+00 2.94 -3.900711255e+00 -3.900711255e+00 2.96 -3.834269444e+00 -3.834269444e+00 2.98 -3.765616994e+00 -3.765616994e+00 3.00 -3.695098630e+00 -3.695098630e+00 3.02 -3.623014074e+00 -3.623014074e+00 3.04 -3.549480189e+00 -3.549480189e+00 3.06 -3.474940215e+00 -3.474940215e+00 3.08 -3.398457399e+00 -3.398457399e+00 3.10 -3.321242297e+00 -3.321242297e+00 3.12 -3.243805017e+00 -3.243805017e+00 3.14 -3.166324175e+00 -3.166324175e+00 3.16 -3.088969686e+00 -3.088969686e+00 3.18 -3.011893981e+00 -3.011893981e+00 3.20 -2.935235056e+00 -2.935235056e+00 3.22 -2.859117507e+00 -2.859117507e+00 3.24 -2.783636024e+00 -2.783636024e+00 3.26 -2.709801485e+00 -2.709801485e+00 3.28 -2.637063605e+00 -2.637063605e+00 3.30 -2.565187561e+00 -2.565187561e+00 3.32 -2.494246358e+00 -2.494246358e+00 3.34 -2.424305542e+00 -2.424305542e+00 3.36 -2.355423082e+00 -2.355423082e+00 3.38 -2.287649185e+00 -2.287649185e+00 3.40 -2.221039247e+00 -2.221039247e+00 3.42 -2.155783718e+00 -2.155783718e+00 3.44 -2.091738955e+00 -2.091738955e+00 3.46 -2.028931654e+00 -2.028931654e+00 3.48 -1.967381686e+00 -1.967381686e+00 3.50 -1.907111617e+00 -1.907111617e+00 3.52 -1.848132291e+00 -1.848132291e+00 3.54 -1.790442234e+00 -1.790442234e+00 3.56 -1.734044098e+00 -1.734044098e+00 3.58 -1.678925127e+00 -1.678925127e+00 3.60 -1.625055783e+00 -1.625055783e+00 3.62 -1.572413308e+00 -1.572413308e+00 3.64 -1.521007340e+00 -1.521007340e+00 3.66 -1.470878213e+00 -1.470878213e+00 3.68 -1.422058384e+00 -1.422058384e+00 3.70 -1.374472668e+00 -1.374472668e+00 3.72 -1.328014483e+00 -1.328014483e+00 3.74 -1.282615332e+00 -1.282615332e+00 3.76 -1.238305777e+00 -1.238305777e+00 3.78 -1.195155626e+00 -1.195155626e+00 3.80 -1.153221006e+00 -1.153221006e+00 3.82 -1.112501758e+00 -1.112501758e+00 3.84 -1.072967338e+00 -1.072967338e+00 3.86 -1.034569984e+00 -1.034569984e+00 3.88 -9.972864997e-01 -9.972864997e-01 3.90 -9.610976160e-01 -9.610976160e-01 3.92 -9.259877083e-01 -9.259877083e-01 3.94 -8.919457689e-01 -8.919457689e-01 3.96 -8.589001743e-01 -8.589001743e-01 3.98 -8.267748425e-01 -8.267748425e-01 4.00 -7.955991641e-01 -7.955991641e-01 4.02 -7.653612822e-01 -7.653612822e-01 4.04 -7.360993197e-01 -7.360993197e-01 4.06 -7.078439271e-01 -7.078439271e-01 4.08 -6.806132178e-01 -6.806132178e-01 4.10 -6.544177369e-01 -6.544177369e-01 4.12 -6.293444006e-01 -6.293444006e-01 4.14 -6.053247667e-01 -6.053247667e-01 4.16 -5.822455564e-01 -5.822455564e-01 4.18 -5.599368389e-01 -5.599368389e-01 4.20 -5.382396690e-01 -5.382396690e-01 4.22 -5.170359167e-01 -5.170359167e-01 4.24 -4.962403907e-01 -4.962403907e-01 4.26 -4.757942355e-01 -4.757942355e-01 4.28 -4.556594184e-01 -4.556594184e-01 4.30 -4.358141467e-01 -4.358141467e-01 4.32 -4.162490769e-01 -4.162490769e-01 4.34 -3.969641926e-01 -3.969641926e-01 4.36 -3.779480316e-01 -3.779480316e-01 4.38 -3.591738707e-01 -3.591738707e-01 4.40 -3.406846961e-01 -3.406846961e-01 4.42 -3.225752849e-01 -3.225752849e-01 4.44 -3.049260963e-01 -3.049260963e-01 4.46 -2.877977481e-01 -2.877977481e-01 4.48 -2.712343610e-01 -2.712343610e-01 4.50 -2.552664000e-01 -2.552664000e-01 4.52 -2.399130870e-01 -2.399130870e-01 4.54 -2.251844429e-01 -2.251844429e-01 4.56 -2.110827796e-01 -2.110827796e-01 4.58 -1.975848531e-01 -1.975848531e-01 4.60 -1.852473184e-01 -1.852473184e-01 4.62 -1.740064132e-01 -1.740064132e-01 4.64 -1.632778457e-01 -1.632778457e-01 4.66 -1.530653493e-01 -1.530653493e-01 4.68 -1.433519889e-01 -1.433519889e-01 4.70 -1.341199322e-01 -1.341199322e-01 4.72 -1.253508400e-01 -1.253508400e-01 4.74 -1.170261188e-01 -1.170261188e-01 4.76 -1.091271275e-01 -1.091271275e-01 4.78 -1.016353434e-01 -1.016353434e-01 4.80 -9.452769254e-02 -9.452769254e-02 4.82 -8.793328861e-02 -8.793328861e-02 4.84 -8.173857073e-02 -8.173857073e-02 4.86 -7.586688407e-02 -7.586688407e-02 4.88 -7.030268994e-02 -7.030268994e-02 4.90 -6.503098451e-02 -6.503098451e-02 4.92 -6.003731752e-02 -6.003731752e-02 4.94 -5.530780295e-02 -5.530780295e-02 4.96 -5.082912238e-02 -5.082912238e-02 4.98 -4.658852308e-02 -4.658852308e-02 5.00 -4.257381163e-02 -4.257381163e-02 5.02 -3.877334488e-02 -3.877334488e-02 5.04 -3.517601778e-02 -3.517601778e-02 5.06 -3.177124813e-02 -3.177124813e-02 5.08 -2.854896086e-02 -2.854896086e-02 5.10 -2.549957102e-02 -2.549957102e-02 5.12 -2.261396619e-02 -2.261396619e-02 5.14 -1.988348817e-02 -1.988348817e-02 5.16 -1.729991437e-02 -1.729991437e-02 5.18 -1.485543947e-02 -1.485543947e-02 5.20 -1.254265720e-02 -1.254265720e-02 5.22 -1.035454255e-02 -1.035454255e-02 5.24 -8.284433822e-03 -8.284433822e-03 5.26 -6.325976200e-03 -6.325976200e-03 5.28 -4.475751213e-03 -4.475751213e-03 5.30 -2.783780234e-03 -2.783780234e-03 5.32 -2.427811446e-03 -2.427811446e-03 5.34 -2.133039090e-03 -2.133039090e-03 5.36 -1.865189218e-03 -1.865189218e-03 5.38 -1.613316543e-03 -1.613316543e-03 5.40 -1.376500431e-03 -1.376500431e-03 5.42 -1.153871230e-03 -1.153871230e-03 5.44 -9.446075537e-04 -9.446075537e-04 5.46 -7.479337273e-04 -7.479337273e-04 5.48 -5.631173669e-04 -5.631173669e-04 5.50 -3.894670819e-04 -3.894670819e-04 5.52 -2.263302600e-04 -2.263302600e-04 5.54 -7.210724864e-05 -7.210724864e-05 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