# 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 = Al2NiPd # 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 1.305200504e+02 1.305200504e+02 1.30 1.209773243e+02 1.209773243e+02 1.32 1.121203672e+02 1.121203672e+02 1.34 1.038968151e+02 1.038968151e+02 1.36 9.625763524e+01 9.625763524e+01 1.38 8.915657889e+01 8.915657889e+01 1.40 8.255056277e+01 8.255056277e+01 1.42 7.640029328e+01 7.640029328e+01 1.44 7.067055079e+01 7.067055079e+01 1.46 6.532999930e+01 6.532999930e+01 1.48 6.035070748e+01 6.035070748e+01 1.50 5.570749513e+01 5.570749513e+01 1.52 5.137719394e+01 5.137719394e+01 1.54 4.733801044e+01 4.733801044e+01 1.56 4.356912445e+01 4.356912445e+01 1.58 4.005055093e+01 4.005055093e+01 1.60 3.676711560e+01 3.676711560e+01 1.62 3.371469159e+01 3.371469159e+01 1.64 3.087704620e+01 3.087704620e+01 1.66 2.824118950e+01 2.824118950e+01 1.68 2.579405727e+01 2.579405727e+01 1.70 2.352244141e+01 2.352244141e+01 1.72 2.141408634e+01 2.141408634e+01 1.74 1.945747550e+01 1.945747550e+01 1.76 1.764170538e+01 1.764170538e+01 1.78 1.595644841e+01 1.595644841e+01 1.80 1.439201821e+01 1.439201821e+01 1.82 1.293949129e+01 1.293949129e+01 1.84 1.159078798e+01 1.159078798e+01 1.86 1.033865041e+01 1.033865041e+01 1.88 9.176530815e+00 9.176530815e+00 1.90 8.098439895e+00 8.098439895e+00 1.92 7.098797723e+00 7.098797723e+00 1.94 6.172318179e+00 6.172318179e+00 1.96 5.313949326e+00 5.313949326e+00 1.98 4.518873867e+00 4.518873867e+00 2.00 3.782551497e+00 3.782551497e+00 2.02 3.100773257e+00 3.100773257e+00 2.04 2.469697757e+00 2.469697757e+00 2.06 1.885848140e+00 1.885848140e+00 2.08 1.346068092e+00 1.346068092e+00 2.10 8.474561858e-01 8.474561858e-01 2.12 3.873045478e-01 3.873045478e-01 2.14 -3.694162559e-02 -3.694162559e-02 2.16 -4.277008442e-01 -4.277008442e-01 2.18 -7.872543158e-01 -7.872543158e-01 2.20 -1.117736053e+00 -1.117736053e+00 2.22 -1.421122921e+00 -1.421122921e+00 2.24 -1.699230706e+00 -1.699230706e+00 2.26 -1.953718066e+00 -1.953718066e+00 2.28 -2.186096849e+00 -2.186096849e+00 2.30 -2.397746067e+00 -2.397746067e+00 2.32 -2.589927234e+00 -2.589927234e+00 2.34 -2.763798172e+00 -2.763798172e+00 2.36 -2.920423346e+00 -2.920423346e+00 2.38 -3.060780780e+00 -3.060780780e+00 2.40 -3.185769472e+00 -3.185769472e+00 2.42 -3.296222576e+00 -3.296222576e+00 2.44 -3.392928854e+00 -3.392928854e+00 2.46 -3.476659880e+00 -3.476659880e+00 2.48 -3.548197066e+00 -3.548197066e+00 2.50 -3.608348767e+00 -3.608348767e+00 2.52 -3.657961969e+00 -3.657961969e+00 2.54 -3.697924995e+00 -3.697924995e+00 2.56 -3.729165100e+00 -3.729165100e+00 2.58 -3.752662534e+00 -3.752662534e+00 2.60 -3.769715797e+00 -3.769715797e+00 2.62 -3.781246426e+00 -3.781246426e+00 2.64 -3.787946670e+00 -3.787946670e+00 2.66 -3.791125911e+00 -3.791125911e+00 2.68 -3.791747969e+00 -3.791747969e+00 2.70 -3.789663517e+00 -3.789663517e+00 2.72 -3.784740878e+00 -3.784740878e+00 2.74 -3.776855821e+00 -3.776855821e+00 2.76 -3.765905866e+00 -3.765905866e+00 2.78 -3.751825393e+00 -3.751825393e+00 2.80 -3.734559904e+00 -3.734559904e+00 2.82 -3.714068499e+00 -3.714068499e+00 2.84 -3.690337893e+00 -3.690337893e+00 2.86 -3.663395271e+00 -3.663395271e+00 2.88 -3.633291290e+00 -3.633291290e+00 2.90 -3.600101581e+00 -3.600101581e+00 2.92 -3.563929508e+00 -3.563929508e+00 2.94 -3.524907694e+00 -3.524907694e+00 2.96 -3.483199066e+00 -3.483199066e+00 2.98 -3.438998349e+00 -3.438998349e+00 3.00 -3.392534259e+00 -3.392534259e+00 3.02 -3.344071344e+00 -3.344071344e+00 3.04 -3.293909123e+00 -3.293909123e+00 3.06 -3.242376014e+00 -3.242376014e+00 3.08 -3.189816590e+00 -3.189816590e+00 3.10 -3.136573370e+00 -3.136573370e+00 3.12 -3.082966374e+00 -3.082966374e+00 3.14 -3.029275009e+00 -3.029275009e+00 3.16 -2.975725857e+00 -2.975725857e+00 3.18 -2.922488369e+00 -2.922488369e+00 3.20 -2.869677734e+00 -2.869677734e+00 3.22 -2.817362863e+00 -2.817362863e+00 3.24 -2.765576833e+00 -2.765576833e+00 3.26 -2.714327499e+00 -2.714327499e+00 3.28 -2.663606785e+00 -2.663606785e+00 3.30 -2.613398000e+00 -2.613398000e+00 3.32 -2.563681129e+00 -2.563681129e+00 3.34 -2.514436384e+00 -2.514436384e+00 3.36 -2.465646408e+00 -2.465646408e+00 3.38 -2.417297538e+00 -2.417297538e+00 3.40 -2.369380387e+00 -2.369380387e+00 3.42 -2.321889996e+00 -2.321889996e+00 3.44 -2.274825618e+00 -2.274825618e+00 3.46 -2.228190305e+00 -2.228190305e+00 3.48 -2.181990290e+00 -2.181990290e+00 3.50 -2.136234288e+00 -2.136234288e+00 3.52 -2.090932729e+00 -2.090932729e+00 3.54 -2.046097010e+00 -2.046097010e+00 3.56 -2.001738798e+00 -2.001738798e+00 3.58 -1.957869391e+00 -1.957869391e+00 3.60 -1.914499169e+00 -1.914499169e+00 3.62 -1.871637116e+00 -1.871637116e+00 3.64 -1.829290430e+00 -1.829290430e+00 3.66 -1.787464239e+00 -1.787464239e+00 3.68 -1.746161450e+00 -1.746161450e+00 3.70 -1.705382763e+00 -1.705382763e+00 3.72 -1.665126895e+00 -1.665126895e+00 3.74 -1.625390999e+00 -1.625390999e+00 3.76 -1.586171266e+00 -1.586171266e+00 3.78 -1.547463638e+00 -1.547463638e+00 3.80 -1.509264498e+00 -1.509264498e+00 3.82 -1.471571215e+00 -1.471571215e+00 3.84 -1.434382396e+00 -1.434382396e+00 3.86 -1.397697739e+00 -1.397697739e+00 3.88 -1.361517457e+00 -1.361517457e+00 3.90 -1.325841349e+00 -1.325841349e+00 3.92 -1.290667680e+00 -1.290667680e+00 3.94 -1.255992115e+00 -1.255992115e+00 3.96 -1.221806861e+00 -1.221806861e+00 3.98 -1.188100327e+00 -1.188100327e+00 4.00 -1.154857267e+00 -1.154857267e+00 4.02 -1.122059456e+00 -1.122059456e+00 4.04 -1.089686747e+00 -1.089686747e+00 4.06 -1.057718377e+00 -1.057718377e+00 4.08 -1.026134341e+00 -1.026134341e+00 4.10 -9.949167051e-01 -9.949167051e-01 4.12 -9.640508721e-01 -9.640508721e-01 4.14 -9.335265278e-01 -9.335265278e-01 4.16 -9.033386529e-01 -9.033386529e-01 4.18 -8.734883492e-01 -8.734883492e-01 4.20 -8.439836098e-01 -8.439836098e-01 4.22 -8.148399701e-01 -8.148399701e-01 4.24 -7.860809389e-01 -7.860809389e-01 4.26 -7.577380564e-01 -7.577380564e-01 4.28 -7.298504144e-01 -7.298504144e-01 4.30 -7.024635134e-01 -7.024635134e-01 4.32 -6.756274236e-01 -6.756274236e-01 4.34 -6.493943396e-01 -6.493943396e-01 4.36 -6.238157379e-01 -6.238157379e-01 4.38 -5.989394317e-01 -5.989394317e-01 4.40 -5.748068363e-01 -5.748068363e-01 4.42 -5.514507105e-01 -5.514507105e-01 4.44 -5.288935451e-01 -5.288935451e-01 4.46 -5.071466514e-01 -5.071466514e-01 4.48 -4.862099091e-01 -4.862099091e-01 4.50 -4.660720686e-01 -4.660720686e-01 4.52 -4.467114901e-01 -4.467114901e-01 4.54 -4.280972129e-01 -4.280972129e-01 4.56 -4.101902805e-01 -4.101902805e-01 4.58 -3.929452659e-01 -3.929452659e-01 4.60 -3.763119527e-01 -3.763119527e-01 4.62 -3.602371191e-01 -3.602371191e-01 4.64 -3.446663591e-01 -3.446663591e-01 4.66 -3.295458626e-01 -3.295458626e-01 4.68 -3.148240731e-01 -3.148240731e-01 4.70 -3.004531518e-01 -3.004531518e-01 4.72 -2.863901984e-01 -2.863901984e-01 4.74 -2.725982055e-01 -2.725982055e-01 4.76 -2.590467537e-01 -2.590467537e-01 4.78 -2.457124780e-01 -2.457124780e-01 4.80 -2.325793503e-01 -2.325793503e-01 4.82 -2.196388795e-01 -2.196388795e-01 4.84 -2.068900871e-01 -2.068900871e-01 4.86 -1.943395189e-01 -1.943395189e-01 4.88 -1.820010662e-01 -1.820010662e-01 4.90 -1.698956612e-01 -1.698956612e-01 4.92 -1.580507239e-01 -1.580507239e-01 4.94 -1.464992993e-01 -1.464992993e-01 4.96 -1.352785725e-01 -1.352785725e-01 4.98 -1.244286703e-01 -1.244286703e-01 5.00 -1.139912781e-01 -1.139912781e-01 5.02 -1.040068858e-01 -1.040068858e-01 5.04 -9.451276487e-02 -9.451276487e-02 5.06 -8.554108108e-02 -8.554108108e-02 5.08 -7.711729810e-02 -7.711729810e-02 5.10 -6.925901004e-02 -6.925901004e-02 5.12 -6.197528584e-02 -6.197528584e-02 5.14 -5.526654706e-02 -5.526654706e-02 5.16 -4.912494227e-02 -4.912494227e-02 5.18 -4.353513422e-02 -4.353513422e-02 5.20 -3.847538799e-02 -3.847538799e-02 5.22 -3.391883686e-02 -3.391883686e-02 5.24 -2.983480524e-02 -2.983480524e-02 5.26 -2.619010764e-02 -2.619010764e-02 5.28 -2.295023370e-02 -2.295023370e-02 5.30 -2.008037948e-02 -2.008037948e-02 5.32 -1.754628552e-02 -1.754628552e-02 5.34 -1.531489812e-02 -1.531489812e-02 5.36 -1.335485312e-02 -1.335485312e-02 5.38 -1.163654659e-02 -1.163654659e-02 5.40 -1.013290151e-02 -1.013290151e-02 5.42 -8.819291624e-03 -8.819291624e-03 5.44 -7.673293666e-03 -7.673293666e-03 5.46 -6.674665376e-03 -6.674665376e-03 5.48 -5.805264075e-03 -5.805264075e-03 5.50 -5.048926315e-03 -5.048926315e-03 5.52 -4.391324379e-03 -4.391324379e-03 5.54 -3.819811462e-03 -3.819811462e-03 5.56 -3.323264093e-03 -3.323264093e-03 5.58 -2.891927784e-03 -2.891927784e-03 5.60 -2.517269863e-03 -2.517269863e-03 5.62 -2.191841938e-03 -2.191841938e-03 5.64 -1.909153308e-03 -1.909153308e-03 5.66 -1.663555833e-03 -1.663555833e-03 5.68 -1.450140231e-03 -1.450140231e-03 5.70 -1.264643374e-03 -1.264643374e-03 5.72 -1.103365941e-03 -1.103365941e-03 5.74 -9.630996522e-04 -9.630996522e-04 5.76 -8.410632352e-04 -8.410632352e-04 5.78 -7.348462757e-04 -7.348462757e-04 5.80 -6.423601299e-04 -6.423601299e-04 5.82 -5.617951105e-04 -5.617951105e-04 5.84 -4.915832188e-04 -4.915832188e-04 5.86 -4.303657586e-04 -4.303657586e-04 5.88 -3.769652307e-04 -3.769652307e-04 5.90 -3.303609665e-04 -3.303609665e-04 5.92 -2.896680244e-04 -2.896680244e-04 5.94 -2.541189212e-04 -2.541189212e-04 5.96 -2.230478285e-04 -2.230478285e-04 5.98 -1.958769053e-04 -1.958769053e-04 6.00 -1.721044810e-04 -1.721044810e-04