# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2CuPd # 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 7.740979801e+02 7.740979801e+02 1.00 7.069544106e+02 7.069544106e+02 1.02 6.462193067e+02 6.462193067e+02 1.04 5.912283648e+02 5.912283648e+02 1.06 5.413919390e+02 5.413919390e+02 1.08 4.961832053e+02 4.961832053e+02 1.10 4.551344399e+02 4.551344399e+02 1.12 4.178275680e+02 4.178275680e+02 1.14 3.838902040e+02 3.838902040e+02 1.16 3.529862929e+02 3.529862929e+02 1.18 3.248194643e+02 3.248194643e+02 1.20 2.991234705e+02 2.991234705e+02 1.22 2.756599857e+02 2.756599857e+02 1.24 2.542124131e+02 2.542124131e+02 1.26 2.345874267e+02 2.345874267e+02 1.28 2.166125425e+02 2.166125425e+02 1.30 2.001332389e+02 2.001332389e+02 1.32 1.850101263e+02 1.850101263e+02 1.34 1.711172981e+02 1.711172981e+02 1.36 1.583408719e+02 1.583408719e+02 1.38 1.465788711e+02 1.465788711e+02 1.40 1.357407087e+02 1.357407087e+02 1.42 1.257444921e+02 1.257444921e+02 1.44 1.165157076e+02 1.165157076e+02 1.46 1.079875967e+02 1.079875967e+02 1.48 1.000989870e+02 1.000989870e+02 1.50 9.279493873e+01 9.279493873e+01 1.52 8.602596430e+01 8.602596430e+01 1.54 7.974660902e+01 7.974660902e+01 1.56 7.391709264e+01 7.391709264e+01 1.58 6.850104163e+01 6.850104163e+01 1.60 6.346492738e+01 6.346492738e+01 1.62 5.877853803e+01 5.877853803e+01 1.64 5.441388025e+01 5.441388025e+01 1.66 5.034657664e+01 5.034657664e+01 1.68 4.655388634e+01 4.655388634e+01 1.70 4.301478280e+01 4.301478280e+01 1.72 3.971033323e+01 3.971033323e+01 1.74 3.662319607e+01 3.662319607e+01 1.76 3.373695493e+01 3.373695493e+01 1.78 3.103732229e+01 3.103732229e+01 1.80 2.851422908e+01 2.851422908e+01 1.82 2.615246278e+01 2.615246278e+01 1.84 2.394452747e+01 2.394452747e+01 1.86 2.188034057e+01 2.188034057e+01 1.88 1.993391149e+01 1.993391149e+01 1.90 1.812116247e+01 1.812116247e+01 1.92 1.641972100e+01 1.641972100e+01 1.94 1.482377314e+01 1.482377314e+01 1.96 1.332791019e+01 1.332791019e+01 1.98 1.192719414e+01 1.192719414e+01 2.00 1.061666993e+01 1.061666993e+01 2.02 9.391725606e+00 9.391725606e+00 2.04 8.248045809e+00 8.248045809e+00 2.06 7.181357225e+00 7.181357225e+00 2.08 6.187639040e+00 6.187639040e+00 2.10 5.263328237e+00 5.263328237e+00 2.12 4.404748592e+00 4.404748592e+00 2.14 3.608328447e+00 3.608328447e+00 2.16 2.870476739e+00 2.870476739e+00 2.18 2.188062567e+00 2.188062567e+00 2.20 1.558037191e+00 1.558037191e+00 2.22 9.772731947e-01 9.772731947e-01 2.24 4.430272025e-01 4.430272025e-01 2.26 -4.705728248e-02 -4.705728248e-02 2.28 -4.955221427e-01 -4.955221427e-01 2.30 -9.053441635e-01 -9.053441635e-01 2.32 -1.278913918e+00 -1.278913918e+00 2.34 -1.618408702e+00 -1.618408702e+00 2.36 -1.925806368e+00 -1.925806368e+00 2.38 -2.203310025e+00 -2.203310025e+00 2.40 -2.452729722e+00 -2.452729722e+00 2.42 -2.675915668e+00 -2.675915668e+00 2.44 -2.874740778e+00 -2.874740778e+00 2.46 -3.050849747e+00 -3.050849747e+00 2.48 -3.205859037e+00 -3.205859037e+00 2.50 -3.341147007e+00 -3.341147007e+00 2.52 -3.458086042e+00 -3.458086042e+00 2.54 -3.558101323e+00 -3.558101323e+00 2.56 -3.642433485e+00 -3.642433485e+00 2.58 -3.712236837e+00 -3.712236837e+00 2.60 -3.769230207e+00 -3.769230207e+00 2.62 -3.814029732e+00 -3.814029732e+00 2.64 -3.847251351e+00 -3.847251351e+00 2.66 -3.870047677e+00 -3.870047677e+00 2.68 -3.883122773e+00 -3.883122773e+00 2.70 -3.887260727e+00 -3.887260727e+00 2.72 -3.883326701e+00 -3.883326701e+00 2.74 -3.872024845e+00 -3.872024845e+00 2.76 -3.854010864e+00 -3.854010864e+00 2.78 -3.830260276e+00 -3.830260276e+00 2.80 -3.801302891e+00 -3.801302891e+00 2.82 -3.767354746e+00 -3.767354746e+00 2.84 -3.728912143e+00 -3.728912143e+00 2.86 -3.686427085e+00 -3.686427085e+00 2.88 -3.639731703e+00 -3.639731703e+00 2.90 -3.589804185e+00 -3.589804185e+00 2.92 -3.537460500e+00 -3.537460500e+00 2.94 -3.482644007e+00 -3.482644007e+00 2.96 -3.425676861e+00 -3.425676861e+00 2.98 -3.366857564e+00 -3.366857564e+00 3.00 -3.306461132e+00 -3.306461132e+00 3.02 -3.244745269e+00 -3.244745269e+00 3.04 -3.181882971e+00 -3.181882971e+00 3.06 -3.118059574e+00 -3.118059574e+00 3.08 -3.053012386e+00 -3.053012386e+00 3.10 -2.987348670e+00 -2.987348670e+00 3.12 -2.921419451e+00 -2.921419451e+00 3.14 -2.855374714e+00 -2.855374714e+00 3.16 -2.789354788e+00 -2.789354788e+00 3.18 -2.723486695e+00 -2.723486695e+00 3.20 -2.657885911e+00 -2.657885911e+00 3.22 -2.592657167e+00 -2.592657167e+00 3.24 -2.527889703e+00 -2.527889703e+00 3.26 -2.463956461e+00 -2.463956461e+00 3.28 -2.400732716e+00 -2.400732716e+00 3.30 -2.338187788e+00 -2.338187788e+00 3.32 -2.276383635e+00 -2.276383635e+00 3.34 -2.215375472e+00 -2.215375472e+00 3.36 -2.155212413e+00 -2.155212413e+00 3.38 -2.095937488e+00 -2.095937488e+00 3.40 -2.037612215e+00 -2.037612215e+00 3.42 -1.980574933e+00 -1.980574933e+00 3.44 -1.924506052e+00 -1.924506052e+00 3.46 -1.869438124e+00 -1.869438124e+00 3.48 -1.815364659e+00 -1.815364659e+00 3.50 -1.762284198e+00 -1.762284198e+00 3.52 -1.710164120e+00 -1.710164120e+00 3.54 -1.658982502e+00 -1.658982502e+00 3.56 -1.608818461e+00 -1.608818461e+00 3.58 -1.559741603e+00 -1.559741603e+00 3.60 -1.511752134e+00 -1.511752134e+00 3.62 -1.464830409e+00 -1.464830409e+00 3.64 -1.418976353e+00 -1.418976353e+00 3.66 -1.374200261e+00 -1.374200261e+00 3.68 -1.330500310e+00 -1.330500310e+00 3.70 -1.287803362e+00 -1.287803362e+00 3.72 -1.246039961e+00 -1.246039961e+00 3.74 -1.205172318e+00 -1.205172318e+00 3.76 -1.165226059e+00 -1.165226059e+00 3.78 -1.126253181e+00 -1.126253181e+00 3.80 -1.088292321e+00 -1.088292321e+00 3.82 -1.051343371e+00 -1.051343371e+00 3.84 -1.015368641e+00 -1.015368641e+00 3.86 -9.803456319e-01 -9.803456319e-01 3.88 -9.462682215e-01 -9.462682215e-01 3.90 -9.131267779e-01 -9.131267779e-01 3.92 -8.809093512e-01 -8.809093512e-01 3.94 -8.495658562e-01 -8.495658562e-01 3.96 -8.189843334e-01 -8.189843334e-01 3.98 -7.892245390e-01 -7.892245390e-01 4.00 -7.603189592e-01 -7.603189592e-01 4.02 -7.322640672e-01 -7.322640672e-01 4.04 -7.051031272e-01 -7.051031272e-01 4.06 -6.788783566e-01 -6.788783566e-01 4.08 -6.536195735e-01 -6.536195735e-01 4.10 -6.294547586e-01 -6.294547586e-01 4.12 -6.062873181e-01 -6.062873181e-01 4.14 -5.839520204e-01 -5.839520204e-01 4.16 -5.623332260e-01 -5.623332260e-01 4.18 -5.412800501e-01 -5.412800501e-01 4.20 -5.206337468e-01 -5.206337468e-01 4.22 -5.002810286e-01 -5.002810286e-01 4.24 -4.801451061e-01 -4.801451061e-01 4.26 -4.601778845e-01 -4.601778845e-01 4.28 -4.403351634e-01 -4.403351634e-01 4.30 -4.210208163e-01 -4.210208163e-01 4.32 -4.020171795e-01 -4.020171795e-01 4.34 -3.831057309e-01 -3.831057309e-01 4.36 -3.643391649e-01 -3.643391649e-01 4.38 -3.458044591e-01 -3.458044591e-01 4.40 -3.275674880e-01 -3.275674880e-01 4.42 -3.097118142e-01 -3.097118142e-01 4.44 -2.923199333e-01 -2.923199333e-01 4.46 -2.754536423e-01 -2.754536423e-01 4.48 -2.591575864e-01 -2.591575864e-01 4.50 -2.434622597e-01 -2.434622597e-01 4.52 -2.283865496e-01 -2.283865496e-01 4.54 -2.139398842e-01 -2.139398842e-01 4.56 -2.001239731e-01 -2.001239731e-01 4.58 -1.869284756e-01 -1.869284756e-01 4.60 -1.745155439e-01 -1.745155439e-01 4.62 -1.628570849e-01 -1.628570849e-01 4.64 -1.517644372e-01 -1.517644372e-01 4.66 -1.412256202e-01 -1.412256202e-01 4.68 -1.312213872e-01 -1.312213872e-01 4.70 -1.217315595e-01 -1.217315595e-01 4.72 -1.127354204e-01 -1.127354204e-01 4.74 -1.042120159e-01 -1.042120159e-01 4.76 -9.614039825e-02 -9.614039825e-02 4.78 -8.849981630e-02 -8.849981630e-02 4.80 -8.126010748e-02 -8.126010748e-02 4.82 -7.469985894e-02 -7.469985894e-02 4.84 -6.860503357e-02 -6.860503357e-02 4.86 -6.283583106e-02 -6.283583106e-02 4.88 -5.737599480e-02 -5.737599480e-02 4.90 -5.220987554e-02 -5.220987554e-02 4.92 -4.732206691e-02 -4.732206691e-02 4.94 -4.265312112e-02 -4.265312112e-02 4.96 -3.888641388e-02 -3.888641388e-02 4.98 -3.595711847e-02 -3.595711847e-02 5.00 -3.314512434e-02 -3.314512434e-02 5.02 -3.048623390e-02 -3.048623390e-02 5.04 -2.797264472e-02 -2.797264472e-02 5.06 -2.559661581e-02 -2.559661581e-02 5.08 -2.335079362e-02 -2.335079362e-02 5.10 -2.122819644e-02 -2.122819644e-02 5.12 -1.922219892e-02 -1.922219892e-02 5.14 -1.732651647e-02 -1.732651647e-02 5.16 -1.553518976e-02 -1.553518976e-02 5.18 -1.384256976e-02 -1.384256976e-02 5.20 -1.224330315e-02 -1.224330315e-02 5.22 -1.073231822e-02 -1.073231822e-02 5.24 -9.304810936e-03 -9.304810936e-03 5.26 -7.956216487e-03 -7.956216487e-03 5.28 -6.683220890e-03 -6.683220890e-03 5.30 -5.503308370e-03 -5.503308370e-03 5.32 -4.871506038e-03 -4.871506038e-03 5.34 -4.293053599e-03 -4.293053599e-03 5.36 -3.752949153e-03 -3.752949153e-03 5.38 -3.245319947e-03 -3.245319947e-03 5.40 -2.768267725e-03 -2.768267725e-03 5.42 -2.320001887e-03 -2.320001887e-03 5.44 -1.898833579e-03 -1.898833579e-03 5.46 -1.503170117e-03 -1.503170117e-03 5.48 -1.131509712e-03 -1.131509712e-03 5.50 -7.824364691e-04 -7.824364691e-04 5.52 -4.546155905e-04 -4.546155905e-04 5.54 -1.448130656e-04 -1.448130656e-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 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