# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr # implementation = 2011--Bonny-G--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 3.785507693e+03 3.785507693e+03 1.02 3.493021457e+03 3.493021457e+03 1.04 3.224831301e+03 3.224831301e+03 1.06 2.978944088e+03 2.978944088e+03 1.08 2.753207588e+03 2.753207588e+03 1.10 2.545542144e+03 2.545542144e+03 1.12 2.354239175e+03 2.354239175e+03 1.14 2.177790998e+03 2.177790998e+03 1.16 2.014914748e+03 2.014914748e+03 1.18 1.864503790e+03 1.864503790e+03 1.20 1.725467946e+03 1.725467946e+03 1.22 1.596661012e+03 1.596661012e+03 1.24 1.477145684e+03 1.477145684e+03 1.26 1.366119118e+03 1.366119118e+03 1.28 1.262846426e+03 1.262846426e+03 1.30 1.166691110e+03 1.166691110e+03 1.32 1.077127456e+03 1.077127456e+03 1.34 9.937815241e+02 9.937815241e+02 1.36 9.164120311e+02 9.164120311e+02 1.38 8.447148968e+02 8.447148968e+02 1.40 7.781289048e+02 7.781289048e+02 1.42 7.161278811e+02 7.161278811e+02 1.44 6.583735010e+02 6.583735010e+02 1.46 6.045678115e+02 6.045678115e+02 1.48 5.544222363e+02 5.544222363e+02 1.50 5.077021407e+02 5.077021407e+02 1.52 4.641756128e+02 4.641756128e+02 1.54 4.235994478e+02 4.235994478e+02 1.56 3.857510011e+02 3.857510011e+02 1.58 3.504555172e+02 3.504555172e+02 1.60 3.175661676e+02 3.175661676e+02 1.62 2.869138134e+02 2.869138134e+02 1.64 2.583274467e+02 2.583274467e+02 1.66 2.316840878e+02 2.316840878e+02 1.68 2.068700805e+02 2.068700805e+02 1.70 1.837382322e+02 1.837382322e+02 1.72 1.621301031e+02 1.621301031e+02 1.74 1.419067646e+02 1.419067646e+02 1.76 1.229581996e+02 1.229581996e+02 1.78 1.051972156e+02 1.051972156e+02 1.80 8.855214506e+01 8.855214506e+01 1.82 7.296708200e+01 7.296708200e+01 1.84 5.840518447e+01 5.840518447e+01 1.86 4.546299799e+01 4.546299799e+01 1.88 3.516454647e+01 3.516454647e+01 1.90 2.702224160e+01 2.702224160e+01 1.92 2.058993761e+01 2.058993761e+01 1.94 1.551179284e+01 1.551179284e+01 1.96 1.150275669e+01 1.150275669e+01 1.98 8.335069242e+00 8.335069242e+00 2.00 5.827423997e+00 5.827423997e+00 2.02 3.836135118e+00 3.836135118e+00 2.04 2.252078776e+00 2.252078776e+00 2.06 9.901422635e-01 9.901422635e-01 2.08 -1.667882066e-02 -1.667882066e-02 2.10 -8.211746086e-01 -8.211746086e-01 2.12 -1.465043731e+00 -1.465043731e+00 2.14 -1.981551672e+00 -1.981551672e+00 2.16 -2.396581704e+00 -2.396581704e+00 2.18 -2.730526175e+00 -2.730526175e+00 2.20 -2.999363015e+00 -2.999363015e+00 2.22 -3.215338641e+00 -3.215338641e+00 2.24 -3.387912075e+00 -3.387912075e+00 2.26 -3.524662763e+00 -3.524662763e+00 2.28 -3.632055518e+00 -3.632055518e+00 2.30 -3.716118678e+00 -3.716118678e+00 2.32 -3.782696616e+00 -3.782696616e+00 2.34 -3.837202993e+00 -3.837202993e+00 2.36 -3.884113100e+00 -3.884113100e+00 2.38 -3.925573031e+00 -3.925573031e+00 2.40 -3.961421692e+00 -3.961421692e+00 2.42 -3.990722234e+00 -3.990722234e+00 2.44 -4.012786808e+00 -4.012786808e+00 2.46 -4.027384931e+00 -4.027384931e+00 2.48 -4.034555553e+00 -4.034555553e+00 2.50 -4.034302908e+00 -4.034302908e+00 2.52 -4.026544017e+00 -4.026544017e+00 2.54 -4.011158594e+00 -4.011158594e+00 2.56 -3.988073636e+00 -3.988073636e+00 2.58 -3.957631110e+00 -3.957631110e+00 2.60 -3.920379953e+00 -3.920379953e+00 2.62 -3.877046824e+00 -3.877046824e+00 2.64 -3.828395616e+00 -3.828395616e+00 2.66 -3.775216205e+00 -3.775216205e+00 2.68 -3.718306850e+00 -3.718306850e+00 2.70 -3.658434355e+00 -3.658434355e+00 2.72 -3.596237841e+00 -3.596237841e+00 2.74 -3.532263777e+00 -3.532263777e+00 2.76 -3.467020483e+00 -3.467020483e+00 2.78 -3.401002694e+00 -3.401002694e+00 2.80 -3.334727945e+00 -3.334727945e+00 2.82 -3.268672604e+00 -3.268672604e+00 2.84 -3.203172428e+00 -3.203172428e+00 2.86 -3.138540091e+00 -3.138540091e+00 2.88 -3.075054881e+00 -3.075054881e+00 2.90 -3.012952725e+00 -3.012952725e+00 2.92 -2.952303200e+00 -2.952303200e+00 2.94 -2.893081090e+00 -2.893081090e+00 2.96 -2.835238040e+00 -2.835238040e+00 2.98 -2.778643296e+00 -2.778643296e+00 3.00 -2.723115054e+00 -2.723115054e+00 3.02 -2.668510554e+00 -2.668510554e+00 3.04 -2.614689967e+00 -2.614689967e+00 3.06 -2.561507299e+00 -2.561507299e+00 3.08 -2.508807385e+00 -2.508807385e+00 3.10 -2.456428158e+00 -2.456428158e+00 3.12 -2.404198831e+00 -2.404198831e+00 3.14 -2.351937996e+00 -2.351937996e+00 3.16 -2.299452479e+00 -2.299452479e+00 3.18 -2.246594519e+00 -2.246594519e+00 3.20 -2.193380694e+00 -2.193380694e+00 3.22 -2.139868965e+00 -2.139868965e+00 3.24 -2.086164875e+00 -2.086164875e+00 3.26 -2.032486264e+00 -2.032486264e+00 3.28 -1.979192216e+00 -1.979192216e+00 3.30 -1.926770157e+00 -1.926770157e+00 3.32 -1.875704683e+00 -1.875704683e+00 3.34 -1.826399797e+00 -1.826399797e+00 3.36 -1.779045918e+00 -1.779045918e+00 3.38 -1.733571522e+00 -1.733571522e+00 3.40 -1.689746152e+00 -1.689746152e+00 3.42 -1.647315874e+00 -1.647315874e+00 3.44 -1.606097419e+00 -1.606097419e+00 3.46 -1.565944502e+00 -1.565944502e+00 3.48 -1.526726026e+00 -1.526726026e+00 3.50 -1.488341935e+00 -1.488341935e+00 3.52 -1.450693122e+00 -1.450693122e+00 3.54 -1.413675723e+00 -1.413675723e+00 3.56 -1.377180178e+00 -1.377180178e+00 3.58 -1.341090173e+00 -1.341090173e+00 3.60 -1.305284512e+00 -1.305284512e+00 3.62 -1.269675941e+00 -1.269675941e+00 3.64 -1.234200325e+00 -1.234200325e+00 3.66 -1.198786600e+00 -1.198786600e+00 3.68 -1.163360051e+00 -1.163360051e+00 3.70 -1.127851154e+00 -1.127851154e+00 3.72 -1.092212501e+00 -1.092212501e+00 3.74 -1.056453194e+00 -1.056453194e+00 3.76 -1.020672322e+00 -1.020672322e+00 3.78 -9.850727303e-01 -9.850727303e-01 3.80 -9.499650437e-01 -9.499650437e-01 3.82 -9.157318960e-01 -9.157318960e-01 3.84 -8.827471864e-01 -8.827471864e-01 3.86 -8.512781032e-01 -8.512781032e-01 3.88 -8.214191946e-01 -8.214191946e-01 3.90 -7.930924497e-01 -7.930924497e-01 3.92 -7.661022362e-01 -7.661022362e-01 3.94 -7.402227067e-01 -7.402227067e-01 3.96 -7.152768037e-01 -7.152768037e-01 3.98 -6.911467131e-01 -6.911467131e-01 4.00 -6.677821673e-01 -6.677821673e-01 4.02 -6.451969200e-01 -6.451969200e-01 4.04 -6.234367071e-01 -6.234367071e-01 4.06 -6.025498542e-01 -6.025498542e-01 4.08 -5.825791496e-01 -5.825791496e-01 4.10 -5.635482886e-01 -5.635482886e-01 4.12 -5.454451396e-01 -5.454451396e-01 4.14 -5.282453182e-01 -5.282453182e-01 4.16 -5.119238953e-01 -5.119238953e-01 4.18 -4.964562033e-01 -4.964562033e-01 4.20 -4.818168818e-01 -4.818168818e-01 4.22 -4.679808439e-01 -4.679808439e-01 4.24 -4.549223846e-01 -4.549223846e-01 4.26 -4.426155687e-01 -4.426155687e-01 4.28 -4.310345532e-01 -4.310345532e-01 4.30 -4.201524026e-01 -4.201524026e-01 4.32 -4.099417944e-01 -4.099417944e-01 4.34 -4.003757489e-01 -4.003757489e-01 4.36 -3.914252120e-01 -3.914252120e-01 4.38 -3.830600480e-01 -3.830600480e-01 4.40 -3.752498364e-01 -3.752498364e-01 4.42 -3.679429528e-01 -3.679429528e-01 4.44 -3.610621650e-01 -3.610621650e-01 4.46 -3.545282612e-01 -3.545282612e-01 4.48 -3.482631046e-01 -3.482631046e-01 4.50 -3.422126850e-01 -3.422126850e-01 4.52 -3.363288969e-01 -3.363288969e-01 4.54 -3.305606079e-01 -3.305606079e-01 4.56 -3.248608874e-01 -3.248608874e-01 4.58 -3.191839038e-01 -3.191839038e-01 4.60 -3.134959285e-01 -3.134959285e-01 4.62 -3.077121655e-01 -3.077121655e-01 4.64 -3.018620273e-01 -3.018620273e-01 4.66 -2.961121645e-01 -2.961121645e-01 4.68 -2.906619207e-01 -2.906619207e-01 4.70 -2.856981973e-01 -2.856981973e-01 4.72 -2.813544093e-01 -2.813544093e-01 4.74 -2.776728689e-01 -2.776728689e-01 4.76 -2.744567396e-01 -2.744567396e-01 4.78 -2.715121863e-01 -2.715121863e-01 4.80 -2.686854567e-01 -2.686854567e-01 4.82 -2.658531714e-01 -2.658531714e-01 4.84 -2.629252186e-01 -2.629252186e-01 4.86 -2.598449804e-01 -2.598449804e-01 4.88 -2.565456360e-01 -2.565456360e-01 4.90 -2.529240335e-01 -2.529240335e-01 4.92 -2.490352100e-01 -2.490352100e-01 4.94 -2.449366605e-01 -2.449366605e-01 4.96 -2.406756900e-01 -2.406756900e-01 4.98 -2.362907470e-01 -2.362907470e-01 5.00 -2.318111007e-01 -2.318111007e-01 5.02 -2.272506806e-01 -2.272506806e-01 5.04 -2.226390557e-01 -2.226390557e-01 5.06 -2.180793796e-01 -2.180793796e-01 5.08 -2.135558170e-01 -2.135558170e-01 5.10 -2.089318088e-01 -2.089318088e-01 5.12 -2.040841171e-01 -2.040841171e-01 5.14 -1.988956448e-01 -1.988956448e-01 5.16 -1.932478991e-01 -1.932478991e-01 5.18 -1.870128407e-01 -1.870128407e-01 5.20 -1.800439930e-01 -1.800439930e-01 5.22 -1.721670327e-01 -1.721670327e-01 5.24 -1.631708847e-01 -1.631708847e-01 5.26 -1.528013995e-01 -1.528013995e-01 5.28 -1.407079374e-01 -1.407079374e-01 5.30 -1.268065058e-01 -1.268065058e-01 5.32 -1.112691852e-01 -1.112691852e-01 5.34 -9.446959431e-02 -9.446959431e-02 5.36 -7.704617207e-02 -7.704617207e-02 5.38 -5.988967112e-02 -5.988967112e-02 5.40 -4.401747382e-02 -4.401747382e-02 5.42 -3.034752079e-02 -3.034752079e-02 5.44 -1.946129555e-02 -1.946129555e-02 5.46 -1.148514580e-02 -1.148514580e-02 5.48 -6.138913115e-03 -6.138913115e-03 5.50 -2.894372507e-03 -2.894372507e-03 5.52 -1.148405660e-03 -1.148405660e-03 5.54 -3.498424717e-04 -3.498424717e-04 5.56 -6.629845537e-05 -6.629845537e-05 5.58 -3.968899810e-06 -3.968899810e-06 5.60 -2.233546587e-11 -2.237456556e-11 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