# 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 = NiPd2Pt # 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 9.157946416e+02 9.157946416e+02 0.98 8.349528356e+02 8.349528356e+02 1.00 7.620356598e+02 7.620356598e+02 1.02 6.961967321e+02 6.961967321e+02 1.04 6.366901833e+02 6.366901833e+02 1.06 5.828510287e+02 5.828510287e+02 1.08 5.340846922e+02 5.340846922e+02 1.10 4.898682813e+02 4.898682813e+02 1.12 4.497307697e+02 4.497307697e+02 1.14 4.132528809e+02 4.132528809e+02 1.16 3.800674142e+02 3.800674142e+02 1.18 3.498416847e+02 3.498416847e+02 1.20 3.222778563e+02 3.222778563e+02 1.22 2.971090572e+02 2.971090572e+02 1.24 2.741019060e+02 2.741019060e+02 1.26 2.530452740e+02 2.530452740e+02 1.28 2.337499826e+02 2.337499826e+02 1.30 2.160450292e+02 2.160450292e+02 1.32 1.997811525e+02 1.997811525e+02 1.34 1.848231514e+02 1.848231514e+02 1.36 1.710510985e+02 1.710510985e+02 1.38 1.583564200e+02 1.583564200e+02 1.40 1.466410684e+02 1.466410684e+02 1.42 1.358171051e+02 1.358171051e+02 1.44 1.258073685e+02 1.258073685e+02 1.46 1.165412167e+02 1.165412167e+02 1.48 1.079547426e+02 1.079547426e+02 1.50 9.999101346e+01 9.999101346e+01 1.52 9.259876744e+01 9.259876744e+01 1.54 8.573072921e+01 8.573072921e+01 1.56 7.934408441e+01 7.934408441e+01 1.58 7.340115945e+01 7.340115945e+01 1.60 6.786845904e+01 6.786845904e+01 1.62 6.271436690e+01 6.271436690e+01 1.64 5.791017168e+01 5.791017168e+01 1.66 5.342984906e+01 5.342984906e+01 1.68 4.924958746e+01 4.924958746e+01 1.70 4.534743493e+01 4.534743493e+01 1.72 4.170267729e+01 4.170267729e+01 1.74 3.829813519e+01 3.829813519e+01 1.76 3.511697583e+01 3.511697583e+01 1.78 3.214297961e+01 3.214297961e+01 1.80 2.936236417e+01 2.936236417e+01 1.82 2.676334831e+01 2.676334831e+01 1.84 2.431164659e+01 2.431164659e+01 1.86 2.202127281e+01 2.202127281e+01 1.88 1.988050252e+01 1.988050252e+01 1.90 1.787606266e+01 1.787606266e+01 1.92 1.600165515e+01 1.600165515e+01 1.94 1.425102098e+01 1.425102098e+01 1.96 1.261808989e+01 1.261808989e+01 1.98 1.109693380e+01 1.109693380e+01 2.00 9.681799713e+00 9.681799713e+00 2.02 8.367117006e+00 8.367117006e+00 2.04 7.147503386e+00 7.147503386e+00 2.06 6.017490370e+00 6.017490370e+00 2.08 4.972256610e+00 4.972256610e+00 2.10 4.007342834e+00 4.007342834e+00 2.12 3.117309186e+00 3.117309186e+00 2.14 2.298100275e+00 2.298100275e+00 2.16 1.545753102e+00 1.545753102e+00 2.18 8.562426965e-01 8.562426965e-01 2.20 2.257276773e-01 2.257276773e-01 2.22 -3.493193829e-01 -3.493193829e-01 2.24 -8.723783204e-01 -8.723783204e-01 2.26 -1.346891192e+00 -1.346891192e+00 2.28 -1.776019131e+00 -1.776019131e+00 2.30 -2.162823948e+00 -2.162823948e+00 2.32 -2.510167748e+00 -2.510167748e+00 2.34 -2.820542423e+00 -2.820542423e+00 2.36 -3.096674795e+00 -3.096674795e+00 2.38 -3.340691524e+00 -3.340691524e+00 2.40 -3.554723760e+00 -3.554723760e+00 2.42 -3.741586408e+00 -3.741586408e+00 2.44 -3.903128530e+00 -3.903128530e+00 2.46 -4.041265972e+00 -4.041265972e+00 2.48 -4.157670934e+00 -4.157670934e+00 2.50 -4.254055648e+00 -4.254055648e+00 2.52 -4.332537268e+00 -4.332537268e+00 2.54 -4.394418744e+00 -4.394418744e+00 2.56 -4.440911575e+00 -4.440911575e+00 2.58 -4.473327693e+00 -4.473327693e+00 2.60 -4.492894165e+00 -4.492894165e+00 2.62 -4.500755561e+00 -4.500755561e+00 2.64 -4.497755815e+00 -4.497755815e+00 2.66 -4.485012454e+00 -4.485012454e+00 2.68 -4.463801737e+00 -4.463801737e+00 2.70 -4.434740071e+00 -4.434740071e+00 2.72 -4.398631637e+00 -4.398631637e+00 2.74 -4.355748322e+00 -4.355748322e+00 2.76 -4.307247832e+00 -4.307247832e+00 2.78 -4.254847519e+00 -4.254847519e+00 2.80 -4.198688912e+00 -4.198688912e+00 2.82 -4.138596700e+00 -4.138596700e+00 2.84 -4.075082452e+00 -4.075082452e+00 2.86 -4.008303106e+00 -4.008303106e+00 2.88 -3.938504021e+00 -3.938504021e+00 2.90 -3.866616884e+00 -3.866616884e+00 2.92 -3.792971822e+00 -3.792971822e+00 2.94 -3.717912426e+00 -3.717912426e+00 2.96 -3.642013640e+00 -3.642013640e+00 2.98 -3.565232655e+00 -3.565232655e+00 3.00 -3.487827996e+00 -3.487827996e+00 3.02 -3.408715027e+00 -3.408715027e+00 3.04 -3.329248505e+00 -3.329248505e+00 3.06 -3.249885509e+00 -3.249885509e+00 3.08 -3.170772936e+00 -3.170772936e+00 3.10 -3.092060807e+00 -3.092060807e+00 3.12 -3.013881491e+00 -3.013881491e+00 3.14 -2.936353381e+00 -2.936353381e+00 3.16 -2.859582014e+00 -2.859582014e+00 3.18 -2.783661067e+00 -2.783661067e+00 3.20 -2.708673290e+00 -2.708673290e+00 3.22 -2.634691421e+00 -2.634691421e+00 3.24 -2.561771457e+00 -2.561771457e+00 3.26 -2.490886720e+00 -2.490886720e+00 3.28 -2.421449153e+00 -2.421449153e+00 3.30 -2.353154649e+00 -2.353154649e+00 3.32 -2.286041251e+00 -2.286041251e+00 3.34 -2.220141146e+00 -2.220141146e+00 3.36 -2.155480558e+00 -2.155480558e+00 3.38 -2.092078650e+00 -2.092078650e+00 3.40 -2.029954583e+00 -2.029954583e+00 3.42 -1.969146352e+00 -1.969146352e+00 3.44 -1.909616894e+00 -1.909616894e+00 3.46 -1.851274593e+00 -1.851274593e+00 3.48 -1.794142650e+00 -1.794142650e+00 3.50 -1.738311814e+00 -1.738311814e+00 3.52 -1.683809221e+00 -1.683809221e+00 3.54 -1.630563569e+00 -1.630563569e+00 3.56 -1.578518946e+00 -1.578518946e+00 3.58 -1.527676432e+00 -1.527676432e+00 3.60 -1.478042284e+00 -1.478042284e+00 3.62 -1.429559098e+00 -1.429559098e+00 3.64 -1.382167357e+00 -1.382167357e+00 3.66 -1.335885211e+00 -1.335885211e+00 3.68 -1.290782567e+00 -1.290782567e+00 3.70 -1.246907413e+00 -1.246907413e+00 3.72 -1.204252927e+00 -1.204252927e+00 3.74 -1.162783138e+00 -1.162783138e+00 3.76 -1.122465846e+00 -1.122465846e+00 3.78 -1.083274319e+00 -1.083274319e+00 3.80 -1.045181707e+00 -1.045181707e+00 3.82 -1.008161869e+00 -1.008161869e+00 3.84 -9.721986194e-01 -9.721986194e-01 3.86 -9.372663093e-01 -9.372663093e-01 3.88 -9.033546066e-01 -9.033546066e-01 3.90 -8.704274611e-01 -8.704274611e-01 3.92 -8.384093386e-01 -8.384093386e-01 3.94 -8.072989230e-01 -8.072989230e-01 3.96 -7.770722585e-01 -7.770722585e-01 3.98 -7.477277364e-01 -7.477277364e-01 4.00 -7.193150122e-01 -7.193150122e-01 4.02 -6.918681959e-01 -6.918681959e-01 4.04 -6.654324014e-01 -6.654324014e-01 4.06 -6.400329560e-01 -6.400329560e-01 4.08 -6.156357110e-01 -6.156357110e-01 4.10 -5.921436400e-01 -5.921436400e-01 4.12 -5.695082296e-01 -5.695082296e-01 4.14 -5.475727622e-01 -5.475727622e-01 4.16 -5.262492259e-01 -5.262492259e-01 4.18 -5.057769038e-01 -5.057769038e-01 4.20 -4.856416171e-01 -4.856416171e-01 4.22 -4.657915686e-01 -4.657915686e-01 4.24 -4.461931896e-01 -4.461931896e-01 4.26 -4.268234489e-01 -4.268234489e-01 4.28 -4.076476987e-01 -4.076476987e-01 4.30 -3.886991312e-01 -3.886991312e-01 4.32 -3.700187443e-01 -3.700187443e-01 4.34 -3.516227809e-01 -3.516227809e-01 4.36 -3.335275691e-01 -3.335275691e-01 4.38 -3.157747240e-01 -3.157747240e-01 4.40 -2.984463807e-01 -2.984463807e-01 4.42 -2.816057493e-01 -2.816057493e-01 4.44 -2.652995478e-01 -2.652995478e-01 4.46 -2.495607946e-01 -2.495607946e-01 4.48 -2.344111821e-01 -2.344111821e-01 4.50 -2.198630926e-01 -2.198630926e-01 4.52 -2.059213071e-01 -2.059213071e-01 4.54 -1.925844492e-01 -1.925844492e-01 4.56 -1.798462046e-01 -1.798462046e-01 4.58 -1.676988811e-01 -1.676988811e-01 4.60 -1.566583044e-01 -1.566583044e-01 4.62 -1.466603795e-01 -1.466603795e-01 4.64 -1.371410043e-01 -1.371410043e-01 4.66 -1.280839954e-01 -1.280839954e-01 4.68 -1.194725789e-01 -1.194725789e-01 4.70 -1.112896375e-01 -1.112896375e-01 4.72 -1.035179142e-01 -1.035179142e-01 4.74 -9.614017756e-02 -9.614017756e-02 4.76 -8.913935626e-02 -8.913935626e-02 4.78 -8.250183752e-02 -8.250183752e-02 4.80 -7.622793347e-02 -7.622793347e-02 4.82 -7.078937032e-02 -7.078937032e-02 4.84 -6.565354371e-02 -6.565354371e-02 4.86 -6.078559233e-02 -6.078559233e-02 4.88 -5.617120016e-02 -5.617120016e-02 4.90 -5.179805941e-02 -5.179805941e-02 4.92 -4.765432483e-02 -4.765432483e-02 4.94 -4.372861884e-02 -4.372861884e-02 4.96 -4.001003184e-02 -4.001003184e-02 4.98 -3.648811885e-02 -3.648811885e-02 5.00 -3.315289290e-02 -3.315289290e-02 5.02 -2.999481613e-02 -2.999481613e-02 5.04 -2.700478895e-02 -2.700478895e-02 5.06 -2.417413772e-02 -2.417413772e-02 5.08 -2.149460137e-02 -2.149460137e-02 5.10 -1.895831732e-02 -1.895831732e-02 5.12 -1.655780689e-02 -1.655780689e-02 5.14 -1.428596043e-02 -1.428596043e-02 5.16 -1.213602238e-02 -1.213602238e-02 5.18 -1.010157640e-02 -1.010157640e-02 5.20 -8.176530571e-03 -8.176530571e-03 5.22 -6.355102937e-03 -6.355102937e-03 5.24 -4.631807288e-03 -4.631807288e-03 5.26 -3.001439390e-03 -3.001439390e-03 5.28 -1.460009555e-03 -1.460009555e-03 5.30 -2.284781994e-15 -2.284265783e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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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