# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Beland-L-K-Tamm-A-Mu-S-et-al--Fe-Ni-Cr # implementation = 2017--Beland-L-K--Fe-Ni-Cr--LAMMPS--ipr1 # composition = Cr2FeNi # 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 1.852705288e+02 1.852705288e+02 1.02 1.706650974e+02 1.706650974e+02 1.04 1.580235357e+02 1.580235357e+02 1.06 1.475161840e+02 1.475161840e+02 1.08 1.400493910e+02 1.400493910e+02 1.10 1.365110606e+02 1.365110606e+02 1.12 1.365779527e+02 1.365779527e+02 1.14 1.403012622e+02 1.403012622e+02 1.16 1.465644297e+02 1.465644297e+02 1.18 1.534990854e+02 1.534990854e+02 1.20 1.583869563e+02 1.583869563e+02 1.22 1.578470492e+02 1.578470492e+02 1.24 1.533670231e+02 1.533670231e+02 1.26 1.465127063e+02 1.465127063e+02 1.28 1.383637839e+02 1.383637839e+02 1.30 1.296859198e+02 1.296859198e+02 1.32 1.209749380e+02 1.209749380e+02 1.34 1.122983099e+02 1.122983099e+02 1.36 1.036407437e+02 1.036407437e+02 1.38 9.515488686e+01 9.515488686e+01 1.40 8.706934293e+01 8.706934293e+01 1.42 7.950505144e+01 7.950505144e+01 1.44 7.253504423e+01 7.253504423e+01 1.46 6.613715889e+01 6.613715889e+01 1.48 6.024216835e+01 6.024216835e+01 1.50 5.481141822e+01 5.481141822e+01 1.52 4.982307958e+01 4.982307958e+01 1.54 4.525987547e+01 4.525987547e+01 1.56 4.108966279e+01 4.108966279e+01 1.58 3.727506990e+01 3.727506990e+01 1.60 3.378395990e+01 3.378395990e+01 1.62 3.058494022e+01 3.058494022e+01 1.64 2.764909730e+01 2.764909730e+01 1.66 2.495367761e+01 2.495367761e+01 1.68 2.248631317e+01 2.248631317e+01 1.70 2.023214080e+01 2.023214080e+01 1.72 1.817200305e+01 1.817200305e+01 1.74 1.628535111e+01 1.628535111e+01 1.76 1.455112451e+01 1.455112451e+01 1.78 1.294870629e+01 1.294870629e+01 1.80 1.146071995e+01 1.146071995e+01 1.82 1.007364891e+01 1.007364891e+01 1.84 8.765323513e+00 8.765323513e+00 1.86 7.482833940e+00 7.482833940e+00 1.88 6.184863019e+00 6.184863019e+00 1.90 4.898621824e+00 4.898621824e+00 1.92 3.684729244e+00 3.684729244e+00 1.94 2.587417128e+00 2.587417128e+00 1.96 1.631033226e+00 1.631033226e+00 1.98 8.156732149e-01 8.156732149e-01 2.00 1.270023763e-01 1.270023763e-01 2.02 -4.506927320e-01 -4.506927320e-01 2.04 -9.363430875e-01 -9.363430875e-01 2.06 -1.349105533e+00 -1.349105533e+00 2.08 -1.703394023e+00 -1.703394023e+00 2.10 -2.009764134e+00 -2.009764134e+00 2.12 -2.277630245e+00 -2.277630245e+00 2.14 -2.518760728e+00 -2.518760728e+00 2.16 -2.743199060e+00 -2.743199060e+00 2.18 -2.953856688e+00 -2.953856688e+00 2.20 -3.143923871e+00 -3.143923871e+00 2.22 -3.308847087e+00 -3.308847087e+00 2.24 -3.447191118e+00 -3.447191118e+00 2.26 -3.560156398e+00 -3.560156398e+00 2.28 -3.651334875e+00 -3.651334875e+00 2.30 -3.725491542e+00 -3.725491542e+00 2.32 -3.786768126e+00 -3.786768126e+00 2.34 -3.838755509e+00 -3.838755509e+00 2.36 -3.884575129e+00 -3.884575129e+00 2.38 -3.925629740e+00 -3.925629740e+00 2.40 -3.961404166e+00 -3.961404166e+00 2.42 -3.990722237e+00 -3.990722237e+00 2.44 -4.012786808e+00 -4.012786808e+00 2.46 -4.027384928e+00 -4.027384928e+00 2.48 -4.034555553e+00 -4.034555553e+00 2.50 -4.034302906e+00 -4.034302906e+00 2.52 -4.026544015e+00 -4.026544015e+00 2.54 -4.011158593e+00 -4.011158593e+00 2.56 -3.988073638e+00 -3.988073638e+00 2.58 -3.957631109e+00 -3.957631109e+00 2.60 -3.920379951e+00 -3.920379951e+00 2.62 -3.877046825e+00 -3.877046825e+00 2.64 -3.828395616e+00 -3.828395616e+00 2.66 -3.775216205e+00 -3.775216205e+00 2.68 -3.718306852e+00 -3.718306852e+00 2.70 -3.658434356e+00 -3.658434356e+00 2.72 -3.596237838e+00 -3.596237838e+00 2.74 -3.532263777e+00 -3.532263777e+00 2.76 -3.467020482e+00 -3.467020482e+00 2.78 -3.401002696e+00 -3.401002696e+00 2.80 -3.334727946e+00 -3.334727946e+00 2.82 -3.268672605e+00 -3.268672605e+00 2.84 -3.203172426e+00 -3.203172426e+00 2.86 -3.138540094e+00 -3.138540094e+00 2.88 -3.075054881e+00 -3.075054881e+00 2.90 -3.012952727e+00 -3.012952727e+00 2.92 -2.952303203e+00 -2.952303203e+00 2.94 -2.893081090e+00 -2.893081090e+00 2.96 -2.835238042e+00 -2.835238042e+00 2.98 -2.778643295e+00 -2.778643295e+00 3.00 -2.723115055e+00 -2.723115055e+00 3.02 -2.668510556e+00 -2.668510556e+00 3.04 -2.614689967e+00 -2.614689967e+00 3.06 -2.561507295e+00 -2.561507295e+00 3.08 -2.508807388e+00 -2.508807388e+00 3.10 -2.456428157e+00 -2.456428157e+00 3.12 -2.404198832e+00 -2.404198832e+00 3.14 -2.351937997e+00 -2.351937997e+00 3.16 -2.299452479e+00 -2.299452479e+00 3.18 -2.246594518e+00 -2.246594518e+00 3.20 -2.193380695e+00 -2.193380695e+00 3.22 -2.139868964e+00 -2.139868964e+00 3.24 -2.086164878e+00 -2.086164878e+00 3.26 -2.032486266e+00 -2.032486266e+00 3.28 -1.979192218e+00 -1.979192218e+00 3.30 -1.926770157e+00 -1.926770157e+00 3.32 -1.875704684e+00 -1.875704684e+00 3.34 -1.826399796e+00 -1.826399796e+00 3.36 -1.779045918e+00 -1.779045918e+00 3.38 -1.733571524e+00 -1.733571524e+00 3.40 -1.689746153e+00 -1.689746153e+00 3.42 -1.647315873e+00 -1.647315873e+00 3.44 -1.606097419e+00 -1.606097419e+00 3.46 -1.565944503e+00 -1.565944503e+00 3.48 -1.526726025e+00 -1.526726025e+00 3.50 -1.488341938e+00 -1.488341938e+00 3.52 -1.450693124e+00 -1.450693124e+00 3.54 -1.413675725e+00 -1.413675725e+00 3.56 -1.377180179e+00 -1.377180179e+00 3.58 -1.341090177e+00 -1.341090177e+00 3.60 -1.305284512e+00 -1.305284512e+00 3.62 -1.269675948e+00 -1.269675948e+00 3.64 -1.234200327e+00 -1.234200327e+00 3.66 -1.198786608e+00 -1.198786608e+00 3.68 -1.163360058e+00 -1.163360058e+00 3.70 -1.127851166e+00 -1.127851166e+00 3.72 -1.092212510e+00 -1.092212510e+00 3.74 -1.056453205e+00 -1.056453205e+00 3.76 -1.020672331e+00 -1.020672331e+00 3.78 -9.850727334e-01 -9.850727334e-01 3.80 -9.499650773e-01 -9.499650773e-01 3.82 -9.157319495e-01 -9.157319495e-01 3.84 -8.827472408e-01 -8.827472408e-01 3.86 -8.512781644e-01 -8.512781644e-01 3.88 -8.214191839e-01 -8.214191839e-01 3.90 -7.930925383e-01 -7.930925383e-01 3.92 -7.661022416e-01 -7.661022416e-01 3.94 -7.402228441e-01 -7.402228441e-01 3.96 -7.152767955e-01 -7.152767955e-01 3.98 -6.911467935e-01 -6.911467935e-01 4.00 -6.677824086e-01 -6.677824086e-01 4.02 -6.451968255e-01 -6.451968255e-01 4.04 -6.234366558e-01 -6.234366558e-01 4.06 -6.025502264e-01 -6.025502264e-01 4.08 -5.825792264e-01 -5.825792264e-01 4.10 -5.635477769e-01 -5.635477769e-01 4.12 -5.454450616e-01 -5.454450616e-01 4.14 -5.282461148e-01 -5.282461148e-01 4.16 -5.119236394e-01 -5.119236394e-01 4.18 -4.964544200e-01 -4.964544200e-01 4.20 -4.818153847e-01 -4.818153847e-01 4.22 -4.679814135e-01 -4.679814135e-01 4.24 -4.549224331e-01 -4.549224331e-01 4.26 -4.426127201e-01 -4.426127201e-01 4.28 -4.310265211e-01 -4.310265211e-01 4.30 -4.201408632e-01 -4.201408632e-01 4.32 -4.099333568e-01 -4.099333568e-01 4.34 -4.003773341e-01 -4.003773341e-01 4.36 -3.913841914e-01 -3.913841914e-01 4.38 -3.829228410e-01 -3.829228410e-01 4.40 -3.750052100e-01 -3.750052100e-01 4.42 -3.676103930e-01 -3.676103930e-01 4.44 -3.606895202e-01 -3.606895202e-01 4.46 -3.541806955e-01 -3.541806955e-01 4.48 -3.480259764e-01 -3.480259764e-01 4.50 -3.421853957e-01 -3.421853957e-01 4.52 -3.366736644e-01 -3.366736644e-01 4.54 -3.314458404e-01 -3.314458404e-01 4.56 -3.263537090e-01 -3.263537090e-01 4.58 -3.212065099e-01 -3.212065099e-01 4.60 -3.158695222e-01 -3.158695222e-01 4.62 -3.101917092e-01 -3.101917092e-01 4.64 -3.041572916e-01 -3.041572916e-01 4.66 -2.979004908e-01 -2.979004908e-01 4.68 -2.916379361e-01 -2.916379361e-01 4.70 -2.856403084e-01 -2.856403084e-01 4.72 -2.801496609e-01 -2.801496609e-01 4.74 -2.752937179e-01 -2.752937179e-01 4.76 -2.711951590e-01 -2.711951590e-01 4.78 -2.677511185e-01 -2.677511185e-01 4.80 -2.646480106e-01 -2.646480106e-01 4.82 -2.616269424e-01 -2.616269424e-01 4.84 -2.584977056e-01 -2.584977056e-01 4.86 -2.551364052e-01 -2.551364052e-01 4.88 -2.514650551e-01 -2.514650551e-01 4.90 -2.474383256e-01 -2.474383256e-01 4.92 -2.430416563e-01 -2.430416563e-01 4.94 -2.382692507e-01 -2.382692507e-01 4.96 -2.331206701e-01 -2.331206701e-01 4.98 -2.275989068e-01 -2.275989068e-01 5.00 -2.217086250e-01 -2.217086250e-01 5.02 -2.154544983e-01 -2.154544983e-01 5.04 -2.088395842e-01 -2.088395842e-01 5.06 -2.018335646e-01 -2.018335646e-01 5.08 -1.944439259e-01 -1.944439259e-01 5.10 -1.867156847e-01 -1.867156847e-01 5.12 -1.786772375e-01 -1.786772375e-01 5.14 -1.703408602e-01 -1.703408602e-01 5.16 -1.617030265e-01 -1.617030265e-01 5.18 -1.527447841e-01 -1.527447841e-01 5.20 -1.434326268e-01 -1.434326268e-01 5.22 -1.337206233e-01 -1.337206233e-01 5.24 -1.235550102e-01 -1.235550102e-01 5.26 -1.128830884e-01 -1.128830884e-01 5.28 -1.016687398e-01 -1.016687398e-01 5.30 -8.991680468e-02 -8.991680468e-02 5.32 -7.770661938e-02 -7.770661938e-02 5.34 -6.522975348e-02 -6.522975348e-02 5.36 -5.281764848e-02 -5.281764848e-02 5.38 -4.093179023e-02 -4.093179023e-02 5.40 -3.010336450e-02 -3.010336450e-02 5.42 -2.082366003e-02 -2.082366003e-02 5.44 -1.341601713e-02 -1.341601713e-02 5.46 -7.954468133e-03 -7.954468133e-03 5.48 -4.267834767e-03 -4.267834767e-03 5.50 -2.017381970e-03 -2.017381970e-03 5.52 -8.016242024e-04 -8.016242024e-04 5.54 -2.443717313e-04 -2.443717313e-04 5.56 -4.632217494e-05 -4.632217494e-05 5.58 -2.773340399e-06 -2.773340399e-06 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