# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNiPt2 # 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 9.729587042e+02 9.729587042e+02 1.00 8.890196267e+02 8.890196267e+02 1.02 8.130000281e+02 8.130000281e+02 1.04 7.440905581e+02 7.440905581e+02 1.06 6.815701930e+02 6.815701930e+02 1.08 6.247960986e+02 6.247960986e+02 1.10 5.731984319e+02 5.731984319e+02 1.12 5.262616908e+02 5.262616908e+02 1.14 4.835273438e+02 4.835273438e+02 1.16 4.445877297e+02 4.445877297e+02 1.18 4.090745259e+02 4.090745259e+02 1.20 3.766565207e+02 3.766565207e+02 1.22 3.470357775e+02 3.470357775e+02 1.24 3.199482465e+02 3.199482465e+02 1.26 2.951543642e+02 2.951543642e+02 1.28 2.724389365e+02 2.724389365e+02 1.30 2.516066031e+02 2.516066031e+02 1.32 2.324830334e+02 2.324830334e+02 1.34 2.149109679e+02 2.149109679e+02 1.36 1.987500508e+02 1.987500508e+02 1.38 1.838729981e+02 1.838729981e+02 1.40 1.701651003e+02 1.701651003e+02 1.42 1.575218687e+02 1.575218687e+02 1.44 1.458497303e+02 1.458497303e+02 1.46 1.350638308e+02 1.350638308e+02 1.48 1.250874936e+02 1.250874936e+02 1.50 1.158519099e+02 1.158519099e+02 1.52 1.072949230e+02 1.072949230e+02 1.54 9.935994486e+01 9.935994486e+01 1.56 9.199509655e+01 9.199509655e+01 1.58 8.515370317e+01 8.515370317e+01 1.60 7.879426902e+01 7.879426902e+01 1.62 7.287835614e+01 7.287835614e+01 1.64 6.737115774e+01 6.737115774e+01 1.66 6.224094571e+01 6.224094571e+01 1.68 5.745881892e+01 5.745881892e+01 1.70 5.299825048e+01 5.299825048e+01 1.72 4.883442591e+01 4.883442591e+01 1.74 4.494643182e+01 4.494643182e+01 1.76 4.131411628e+01 4.131411628e+01 1.78 3.791857608e+01 3.791857608e+01 1.80 3.474313331e+01 3.474313331e+01 1.82 3.177247261e+01 3.177247261e+01 1.84 2.899230380e+01 2.899230380e+01 1.86 2.639069180e+01 2.639069180e+01 1.88 2.395899652e+01 2.395899652e+01 1.90 2.167380347e+01 2.167380347e+01 1.92 1.955343769e+01 1.955343769e+01 1.94 1.756457732e+01 1.756457732e+01 1.96 1.570108025e+01 1.570108025e+01 1.98 1.395708777e+01 1.395708777e+01 2.00 1.232691603e+01 1.232691603e+01 2.02 1.080508660e+01 1.080508660e+01 2.04 9.386297882e+00 9.386297882e+00 2.06 8.065363600e+00 8.065363600e+00 2.08 6.837221663e+00 6.837221663e+00 2.10 5.697013554e+00 5.697013554e+00 2.12 4.640075541e+00 4.640075541e+00 2.14 3.662101441e+00 3.662101441e+00 2.16 2.759060320e+00 2.759060320e+00 2.18 1.927037241e+00 1.927037241e+00 2.20 1.161618934e+00 1.161618934e+00 2.22 4.589516317e-01 4.589516317e-01 2.24 -1.845629428e-01 -1.845629428e-01 2.26 -7.723867679e-01 -7.723867679e-01 2.28 -1.307858208e+00 -1.307858208e+00 2.30 -1.793760857e+00 -1.793760857e+00 2.32 -2.233571326e+00 -2.233571326e+00 2.34 -2.630166872e+00 -2.630166872e+00 2.36 -2.986337592e+00 -2.986337592e+00 2.38 -3.304741607e+00 -3.304741607e+00 2.40 -3.587843302e+00 -3.587843302e+00 2.42 -3.837890780e+00 -3.837890780e+00 2.44 -4.057440020e+00 -4.057440020e+00 2.46 -4.248651450e+00 -4.248651450e+00 2.48 -4.413578583e+00 -4.413578583e+00 2.50 -4.554166411e+00 -4.554166411e+00 2.52 -4.672687862e+00 -4.672687862e+00 2.54 -4.770681475e+00 -4.770681475e+00 2.56 -4.849409347e+00 -4.849409347e+00 2.58 -4.910199817e+00 -4.910199817e+00 2.60 -4.954863495e+00 -4.954863495e+00 2.62 -4.984760636e+00 -4.984760636e+00 2.64 -5.001167530e+00 -5.001167530e+00 2.66 -5.005467442e+00 -5.005467442e+00 2.68 -4.998671902e+00 -4.998671902e+00 2.70 -4.981730668e+00 -4.981730668e+00 2.72 -4.955617117e+00 -4.955617117e+00 2.74 -4.921236995e+00 -4.921236995e+00 2.76 -4.879427737e+00 -4.879427737e+00 2.78 -4.831439102e+00 -4.831439102e+00 2.80 -4.777846048e+00 -4.777846048e+00 2.82 -4.718556475e+00 -4.718556475e+00 2.84 -4.654562422e+00 -4.654562422e+00 2.86 -4.586515819e+00 -4.586515819e+00 2.88 -4.514943042e+00 -4.514943042e+00 2.90 -4.440358196e+00 -4.440358196e+00 2.92 -4.363517332e+00 -4.363517332e+00 2.94 -4.283980384e+00 -4.283980384e+00 2.96 -4.201785262e+00 -4.201785262e+00 2.98 -4.118210655e+00 -4.118210655e+00 3.00 -4.033530171e+00 -4.033530171e+00 3.02 -3.948032835e+00 -3.948032835e+00 3.04 -3.861975581e+00 -3.861975581e+00 3.06 -3.775600525e+00 -3.775600525e+00 3.08 -3.688841963e+00 -3.688841963e+00 3.10 -3.602158096e+00 -3.602158096e+00 3.12 -3.515746052e+00 -3.515746052e+00 3.14 -3.429761535e+00 -3.429761535e+00 3.16 -3.344344739e+00 -3.344344739e+00 3.18 -3.259620802e+00 -3.259620802e+00 3.20 -3.175701304e+00 -3.175701304e+00 3.22 -3.092685350e+00 -3.092685350e+00 3.24 -3.010647672e+00 -3.010647672e+00 3.26 -2.930337847e+00 -2.930337847e+00 3.28 -2.851348533e+00 -2.851348533e+00 3.30 -2.773506016e+00 -2.773506016e+00 3.32 -2.696863005e+00 -2.696863005e+00 3.34 -2.621465537e+00 -2.621465537e+00 3.36 -2.547352948e+00 -2.547352948e+00 3.38 -2.474558346e+00 -2.474558346e+00 3.40 -2.403120434e+00 -2.403120434e+00 3.42 -2.333213845e+00 -2.333213845e+00 3.44 -2.264681558e+00 -2.264681558e+00 3.46 -2.197530970e+00 -2.197530970e+00 3.48 -2.131800085e+00 -2.131800085e+00 3.50 -2.067481383e+00 -2.067481383e+00 3.52 -2.004458665e+00 -2.004458665e+00 3.54 -1.942733500e+00 -1.942733500e+00 3.56 -1.882354441e+00 -1.882354441e+00 3.58 -1.823229552e+00 -1.823229552e+00 3.60 -1.765281680e+00 -1.765281680e+00 3.62 -1.708609360e+00 -1.708609360e+00 3.64 -1.653322928e+00 -1.653322928e+00 3.66 -1.599453035e+00 -1.599453035e+00 3.68 -1.546963094e+00 -1.546963094e+00 3.70 -1.495823793e+00 -1.495823793e+00 3.72 -1.445997571e+00 -1.445997571e+00 3.74 -1.397448452e+00 -1.397448452e+00 3.76 -1.350149225e+00 -1.350149225e+00 3.78 -1.304085437e+00 -1.304085437e+00 3.80 -1.259248153e+00 -1.259248153e+00 3.82 -1.215602211e+00 -1.215602211e+00 3.84 -1.173142751e+00 -1.173142751e+00 3.86 -1.131853512e+00 -1.131853512e+00 3.88 -1.091723446e+00 -1.091723446e+00 3.90 -1.052714351e+00 -1.052714351e+00 3.92 -1.014710638e+00 -1.014710638e+00 3.94 -9.777469052e-01 -9.777469052e-01 3.96 -9.418379552e-01 -9.418379552e-01 3.98 -9.069702922e-01 -9.069702922e-01 4.00 -8.731517549e-01 -8.731517549e-01 4.02 -8.403890273e-01 -8.403890273e-01 4.04 -8.087717402e-01 -8.087717402e-01 4.06 -7.784319299e-01 -7.784319299e-01 4.08 -7.492533334e-01 -7.492533334e-01 4.10 -7.211231372e-01 -7.211231372e-01 4.12 -6.939895416e-01 -6.939895416e-01 4.14 -6.677095920e-01 -6.677095920e-01 4.16 -6.422338780e-01 -6.422338780e-01 4.18 -6.176669878e-01 -6.176669878e-01 4.20 -5.934700289e-01 -5.934700289e-01 4.22 -5.695459806e-01 -5.695459806e-01 4.24 -5.458292579e-01 -5.458292579e-01 4.26 -5.222845276e-01 -5.222845276e-01 4.28 -4.988471932e-01 -4.988471932e-01 4.30 -4.755508479e-01 -4.755508479e-01 4.32 -4.524826681e-01 -4.524826681e-01 4.34 -4.297161410e-01 -4.297161410e-01 4.36 -4.072891136e-01 -4.072891136e-01 4.38 -3.852595550e-01 -3.852595550e-01 4.40 -3.636917745e-01 -3.636917745e-01 4.42 -3.426944392e-01 -3.426944392e-01 4.44 -3.223502700e-01 -3.223502700e-01 4.46 -3.027186070e-01 -3.027186070e-01 4.48 -2.838396154e-01 -2.838396154e-01 4.50 -2.657378249e-01 -2.657378249e-01 4.52 -2.484251037e-01 -2.484251037e-01 4.54 -2.319031526e-01 -2.319031526e-01 4.56 -2.161654014e-01 -2.161654014e-01 4.58 -2.011829147e-01 -2.011829147e-01 4.60 -1.873993454e-01 -1.873993454e-01 4.62 -1.747434224e-01 -1.747434224e-01 4.64 -1.627257666e-01 -1.627257666e-01 4.66 -1.513393692e-01 -1.513393692e-01 4.68 -1.405600599e-01 -1.405600599e-01 4.70 -1.303628611e-01 -1.303628611e-01 4.72 -1.207224491e-01 -1.207224491e-01 4.74 -1.116134717e-01 -1.116134717e-01 4.76 -1.030108014e-01 -1.030108014e-01 4.78 -9.489325857e-02 -9.489325857e-02 4.80 -8.723480722e-02 -8.723480722e-02 4.82 -8.101259114e-02 -8.101259114e-02 4.84 -7.521186364e-02 -7.521186364e-02 4.86 -6.973699693e-02 -6.973699693e-02 4.88 -6.457093440e-02 -6.457093440e-02 4.90 -5.969725425e-02 -5.969725425e-02 4.92 -5.510024536e-02 -5.510024536e-02 4.94 -5.076490588e-02 -5.076490588e-02 4.96 -4.667693487e-02 -4.667693487e-02 4.98 -4.282271916e-02 -4.282271916e-02 5.00 -3.918931646e-02 -3.918931646e-02 5.02 -3.576443633e-02 -3.576443633e-02 5.04 -3.253641876e-02 -3.253641876e-02 5.06 -2.949421017e-02 -2.949421017e-02 5.08 -2.662733973e-02 -2.662733973e-02 5.10 -2.392589491e-02 -2.392589491e-02 5.12 -2.138049708e-02 -2.138049708e-02 5.14 -1.898227694e-02 -1.898227694e-02 5.16 -1.672285016e-02 -1.672285016e-02 5.18 -1.459429383e-02 -1.459429383e-02 5.20 -1.258912342e-02 -1.258912342e-02 5.22 -1.070027076e-02 -1.070027076e-02 5.24 -8.921062036e-03 -8.921062036e-03 5.26 -7.245170096e-03 -7.245170096e-03 5.28 -5.668422590e-03 -5.668422590e-03 5.30 -4.223716994e-03 -4.223716994e-03 5.32 -3.721526132e-03 -3.721526132e-03 5.34 -3.276883580e-03 -3.276883580e-03 5.36 -2.865244639e-03 -2.865244639e-03 5.38 -2.478199821e-03 -2.478199821e-03 5.40 -2.114327461e-03 -2.114327461e-03 5.42 -1.772285106e-03 -1.772285106e-03 5.44 -1.450805256e-03 -1.450805256e-03 5.46 -1.148691345e-03 -1.148691345e-03 5.48 -8.648139446e-04 -8.648139446e-04 5.50 -5.981071620e-04 -5.981071620e-04 5.52 -3.475651749e-04 -3.475651749e-04 5.54 -1.107283195e-04 -1.107283195e-04 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 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