# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgAuPd2 # 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 2024-04-11 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 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.250894692e+02 3.250894692e+02 1.30 3.014307975e+02 3.014307975e+02 1.32 2.795017194e+02 2.795017194e+02 1.34 2.591639567e+02 2.591639567e+02 1.36 2.402915290e+02 2.402915290e+02 1.38 2.227695415e+02 2.227695415e+02 1.40 2.064933259e+02 2.064933259e+02 1.42 1.913674587e+02 1.913674587e+02 1.44 1.773048166e+02 1.773048166e+02 1.46 1.642259770e+02 1.642259770e+02 1.48 1.520585179e+02 1.520585179e+02 1.50 1.407357699e+02 1.407357699e+02 1.52 1.301954829e+02 1.301954829e+02 1.54 1.203791533e+02 1.203791533e+02 1.56 1.112320683e+02 1.112320683e+02 1.58 1.027035955e+02 1.027035955e+02 1.60 9.474733894e+01 9.474733894e+01 1.62 8.732105373e+01 8.732105373e+01 1.64 8.038639385e+01 8.038639385e+01 1.66 7.390859129e+01 7.390859129e+01 1.68 6.785900174e+01 6.785900174e+01 1.70 6.222373182e+01 6.222373182e+01 1.72 5.700441433e+01 5.700441433e+01 1.74 5.217530061e+01 5.217530061e+01 1.76 4.770691111e+01 4.770691111e+01 1.78 4.357187946e+01 4.357187946e+01 1.80 3.974505776e+01 3.974505776e+01 1.82 3.620350200e+01 3.620350200e+01 1.84 3.292633615e+01 3.292633615e+01 1.86 2.989452642e+01 2.989452642e+01 1.88 2.709061214e+01 2.709061214e+01 1.90 2.449845613e+01 2.449845613e+01 1.92 2.210306539e+01 2.210306539e+01 1.94 1.989048597e+01 1.989048597e+01 1.96 1.784773623e+01 1.784773623e+01 1.98 1.596273816e+01 1.596273816e+01 2.00 1.422423052e+01 1.422423052e+01 2.02 1.262167617e+01 1.262167617e+01 2.04 1.114518726e+01 1.114518726e+01 2.06 9.785482150e+00 9.785482150e+00 2.08 8.533869919e+00 8.533869919e+00 2.10 7.382248077e+00 7.382248077e+00 2.12 6.323099873e+00 6.323099873e+00 2.14 5.349483430e+00 5.349483430e+00 2.16 4.455010490e+00 4.455010490e+00 2.18 3.633816600e+00 3.633816600e+00 2.20 2.880526659e+00 2.880526659e+00 2.22 2.190219373e+00 2.190219373e+00 2.24 1.558392022e+00 1.558392022e+00 2.26 9.809249178e-01 9.809249178e-01 2.28 4.540442615e-01 4.540442615e-01 2.30 -2.571736602e-02 -2.571736602e-02 2.32 -4.615624652e-01 -4.615624652e-01 2.34 -8.564702554e-01 -8.564702554e-01 2.36 -1.213235521e+00 -1.213235521e+00 2.38 -1.534501226e+00 -1.534501226e+00 2.40 -1.822782452e+00 -1.822782452e+00 2.42 -2.080481570e+00 -2.080481570e+00 2.44 -2.309896923e+00 -2.309896923e+00 2.46 -2.513227870e+00 -2.513227870e+00 2.48 -2.692577206e+00 -2.692577206e+00 2.50 -2.849949641e+00 -2.849949641e+00 2.52 -2.987244993e+00 -2.987244993e+00 2.54 -3.106247556e+00 -3.106247556e+00 2.56 -3.208616161e+00 -3.208616161e+00 2.58 -3.295879348e+00 -3.295879348e+00 2.60 -3.369436522e+00 -3.369436522e+00 2.62 -3.430561969e+00 -3.430561969e+00 2.64 -3.480861582e+00 -3.480861582e+00 2.66 -3.521747153e+00 -3.521747153e+00 2.68 -3.553649246e+00 -3.553649246e+00 2.70 -3.576984841e+00 -3.576984841e+00 2.72 -3.592159733e+00 -3.592159733e+00 2.74 -3.599565694e+00 -3.599565694e+00 2.76 -3.599582837e+00 -3.599582837e+00 2.78 -3.592585348e+00 -3.592585348e+00 2.80 -3.578979248e+00 -3.578979248e+00 2.82 -3.559245087e+00 -3.559245087e+00 2.84 -3.533928456e+00 -3.533928456e+00 2.86 -3.503539299e+00 -3.503539299e+00 2.88 -3.468473153e+00 -3.468473153e+00 2.90 -3.429155042e+00 -3.429155042e+00 2.92 -3.386033853e+00 -3.386033853e+00 2.94 -3.339570803e+00 -3.339570803e+00 2.96 -3.290224945e+00 -3.290224945e+00 2.98 -3.238438572e+00 -3.238438572e+00 3.00 -3.184626481e+00 -3.184626481e+00 3.02 -3.129174537e+00 -3.129174537e+00 3.04 -3.072432299e+00 -3.072432299e+00 3.06 -3.014710607e+00 -3.014710607e+00 3.08 -2.956283817e+00 -2.956283817e+00 3.10 -2.897391597e+00 -2.897391597e+00 3.12 -2.838239906e+00 -2.838239906e+00 3.14 -2.779001760e+00 -2.779001760e+00 3.16 -2.719818619e+00 -2.719818619e+00 3.18 -2.660803084e+00 -2.660803084e+00 3.20 -2.602042905e+00 -2.602042905e+00 3.22 -2.543605897e+00 -2.543605897e+00 3.24 -2.485545140e+00 -2.485545140e+00 3.26 -2.427903852e+00 -2.427903852e+00 3.28 -2.370719571e+00 -2.370719571e+00 3.30 -2.314027415e+00 -2.314027415e+00 3.32 -2.257862414e+00 -2.257862414e+00 3.34 -2.202260952e+00 -2.202260952e+00 3.36 -2.147261437e+00 -2.147261437e+00 3.38 -2.092904321e+00 -2.092904321e+00 3.40 -2.039231611e+00 -2.039231611e+00 3.42 -1.986286020e+00 -1.986286020e+00 3.44 -1.934109896e+00 -1.934109896e+00 3.46 -1.882744070e+00 -1.882744070e+00 3.48 -1.832226727e+00 -1.832226727e+00 3.50 -1.782592384e+00 -1.782592384e+00 3.52 -1.733871036e+00 -1.733871036e+00 3.54 -1.686087474e+00 -1.686087474e+00 3.56 -1.639260806e+00 -1.639260806e+00 3.58 -1.593404147e+00 -1.593404147e+00 3.60 -1.548524474e+00 -1.548524474e+00 3.62 -1.504622630e+00 -1.504622630e+00 3.64 -1.461693463e+00 -1.461693463e+00 3.66 -1.419726089e+00 -1.419726089e+00 3.68 -1.378704283e+00 -1.378704283e+00 3.70 -1.338607001e+00 -1.338607001e+00 3.72 -1.299409016e+00 -1.299409016e+00 3.74 -1.261081667e+00 -1.261081667e+00 3.76 -1.223593703e+00 -1.223593703e+00 3.78 -1.186912186e+00 -1.186912186e+00 3.80 -1.151003417e+00 -1.151003417e+00 3.82 -1.115833842e+00 -1.115833842e+00 3.84 -1.081370902e+00 -1.081370902e+00 3.86 -1.047583787e+00 -1.047583787e+00 3.88 -1.014444090e+00 -1.014444090e+00 3.90 -9.819263492e-01 -9.819263492e-01 3.92 -9.500085105e-01 -9.500085105e-01 3.94 -9.186723323e-01 -9.186723323e-01 3.96 -8.879037491e-01 -8.879037491e-01 3.98 -8.576932274e-01 -8.576932274e-01 4.00 -8.280360875e-01 -8.280360875e-01 4.02 -7.989327620e-01 -7.989327620e-01 4.04 -7.703889191e-01 -7.703889191e-01 4.06 -7.424153673e-01 -7.424153673e-01 4.08 -7.150276547e-01 -7.150276547e-01 4.10 -6.882453031e-01 -6.882453031e-01 4.12 -6.620906826e-01 -6.620906826e-01 4.14 -6.365875532e-01 -6.365875532e-01 4.16 -6.117594526e-01 -6.117594526e-01 4.18 -5.876280701e-01 -5.876280701e-01 4.20 -5.642118104e-01 -5.642118104e-01 4.22 -5.415246983e-01 -5.415246983e-01 4.24 -5.195757034e-01 -5.195757034e-01 4.26 -4.983684789e-01 -4.983684789e-01 4.28 -4.779014263e-01 -4.779014263e-01 4.30 -4.581679545e-01 -4.581679545e-01 4.32 -4.391567972e-01 -4.391567972e-01 4.34 -4.208522888e-01 -4.208522888e-01 4.36 -4.032345560e-01 -4.032345560e-01 4.38 -3.862796464e-01 -3.862796464e-01 4.40 -3.699596559e-01 -3.699596559e-01 4.42 -3.542429385e-01 -3.542429385e-01 4.44 -3.390944707e-01 -3.390944707e-01 4.46 -3.244764161e-01 -3.244764161e-01 4.48 -3.103488994e-01 -3.103488994e-01 4.50 -2.966709625e-01 -2.966709625e-01 4.52 -2.834016581e-01 -2.834016581e-01 4.54 -2.705012184e-01 -2.705012184e-01 4.56 -2.579322400e-01 -2.579322400e-01 4.58 -2.456608261e-01 -2.456608261e-01 4.60 -2.336576374e-01 -2.336576374e-01 4.62 -2.218988012e-01 -2.218988012e-01 4.64 -2.103666337e-01 -2.103666337e-01 4.66 -1.990501265e-01 -1.990501265e-01 4.68 -1.879451552e-01 -1.879451552e-01 4.70 -1.770543685e-01 -1.770543685e-01 4.72 -1.663867392e-01 -1.663867392e-01 4.74 -1.559567769e-01 -1.559567769e-01 4.76 -1.457834390e-01 -1.457834390e-01 4.78 -1.358888114e-01 -1.358888114e-01 4.80 -1.262966589e-01 -1.262966589e-01 4.82 -1.170309752e-01 -1.170309752e-01 4.84 -1.081146372e-01 -1.081146372e-01 4.86 -9.956829542e-02 -9.956829542e-02 4.88 -9.140955150e-02 -9.140955150e-02 4.90 -8.365245470e-02 -8.365245470e-02 4.92 -7.630729643e-02 -7.630729643e-02 4.94 -6.938064486e-02 -6.938064486e-02 4.96 -6.287553708e-02 -6.287553708e-02 4.98 -5.679175232e-02 -5.679175232e-02 5.00 -5.112609779e-02 -5.112609779e-02 5.02 -4.587266043e-02 -4.587266043e-02 5.04 -4.102271697e-02 -4.102271697e-02 5.06 -3.656528896e-02 -3.656528896e-02 5.08 -3.248773073e-02 -3.248773073e-02 5.10 -2.877515311e-02 -2.877515311e-02 5.12 -2.541068919e-02 -2.541068919e-02 5.14 -2.237578091e-02 -2.237578091e-02 5.16 -1.965051473e-02 -1.965051473e-02 5.18 -1.721399582e-02 -1.721399582e-02 5.20 -1.504470412e-02 -1.504470412e-02 5.22 -1.312080023e-02 -1.312080023e-02 5.24 -1.142091743e-02 -1.142091743e-02 5.26 -9.924204296e-03 -9.924204296e-03 5.28 -8.610580323e-03 -8.610580323e-03 5.30 -7.460980821e-03 -7.460980821e-03 5.32 -6.457535614e-03 -6.457535614e-03 5.34 -5.583684890e-03 -5.583684890e-03 5.36 -4.824238950e-03 -4.824238950e-03 5.38 -4.165390589e-03 -4.165390589e-03 5.40 -3.594689534e-03 -3.594689534e-03 5.42 -3.100988208e-03 -3.100988208e-03 5.44 -2.674367250e-03 -2.674367250e-03 5.46 -2.306048076e-03 -2.306048076e-03 5.48 -1.988298455e-03 -1.988298455e-03 5.50 -1.714335815e-03 -1.714335815e-03 5.52 -1.478231797e-03 -1.478231797e-03 5.54 -1.274820588e-03 -1.274820588e-03 5.56 -1.099612683e-03 -1.099612683e-03 5.58 -9.487151111e-04 -9.487151111e-04 5.60 -8.187585914e-04 -8.187585914e-04 5.62 -7.068317551e-04 -7.068317551e-04 5.64 -6.104222636e-04 -6.104222636e-04 5.66 -5.273644975e-04 -5.273644975e-04 5.68 -4.557933694e-04 -4.557933694e-04 5.70 -3.941037550e-04 -3.941037550e-04 5.72 -3.409150160e-04 -3.409150160e-04 5.74 -2.950400888e-04 -2.950400888e-04 5.76 -2.554586336e-04 -2.554586336e-04 5.78 -2.212937737e-04 -2.212937737e-04 5.80 -1.917919855e-04 -1.917919855e-04 5.82 -1.663057462e-04 -1.663057462e-04 5.84 -1.442785821e-04 -1.442785821e-04 5.86 -1.252322011e-04 -1.252322011e-04 5.88 -1.087554309e-04 -1.087554309e-04 5.90 -9.449471580e-05 -9.449471580e-05 5.92 -8.214595812e-05 -8.214595812e-05 5.94 -7.144751749e-05 -7.144751749e-05 5.96 -6.217420512e-05 -6.217420512e-05 5.98 -5.413213316e-05 -5.413213316e-05 6.00 -4.715429796e-05 -4.715429796e-05