# 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 = CuPbTa2 # 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 3.608564053e+02 3.608564053e+02 1.30 3.360086011e+02 3.360086011e+02 1.32 3.129569303e+02 3.129569303e+02 1.34 2.915629552e+02 2.915629552e+02 1.36 2.716942134e+02 2.716942134e+02 1.38 2.532258001e+02 2.532258001e+02 1.40 2.360426703e+02 2.360426703e+02 1.42 2.200409683e+02 2.200409683e+02 1.44 2.051277545e+02 2.051277545e+02 1.46 1.912196341e+02 1.912196341e+02 1.48 1.782412496e+02 1.782412496e+02 1.50 1.661241825e+02 1.661241825e+02 1.52 1.548061894e+02 1.548061894e+02 1.54 1.442303989e+02 1.442303989e+02 1.56 1.343444096e+02 1.343444096e+02 1.58 1.250995770e+02 1.250995770e+02 1.60 1.164507556e+02 1.164507556e+02 1.62 1.083564148e+02 1.083564148e+02 1.64 1.007787779e+02 1.007787779e+02 1.66 9.368373227e+01 9.368373227e+01 1.68 8.704045566e+01 8.704045566e+01 1.70 8.082087043e+01 8.082087043e+01 1.72 7.499899978e+01 7.499899978e+01 1.74 6.955032106e+01 6.955032106e+01 1.76 6.445123231e+01 6.445123231e+01 1.78 5.967877003e+01 5.967877003e+01 1.80 5.521063624e+01 5.521063624e+01 1.82 5.102609980e+01 5.102609980e+01 1.84 4.711234269e+01 4.711234269e+01 1.86 4.345211410e+01 4.345211410e+01 1.88 4.002753288e+01 4.002753288e+01 1.90 3.682293292e+01 3.682293292e+01 1.92 3.382909737e+01 3.382909737e+01 1.94 3.103372564e+01 3.103372564e+01 1.96 2.842453111e+01 2.842453111e+01 1.98 2.599038058e+01 2.599038058e+01 2.00 2.372105632e+01 2.372105632e+01 2.02 2.160699812e+01 2.160699812e+01 2.04 1.963907360e+01 1.963907360e+01 2.06 1.780843116e+01 1.780843116e+01 2.08 1.610645425e+01 1.610645425e+01 2.10 1.452480430e+01 1.452480430e+01 2.12 1.305550546e+01 1.305550546e+01 2.14 1.169103167e+01 1.169103167e+01 2.16 1.042436599e+01 1.042436599e+01 2.18 9.249019798e+00 9.249019798e+00 2.20 8.159007460e+00 8.159007460e+00 2.22 7.148789911e+00 7.148789911e+00 2.24 6.213193655e+00 6.213193655e+00 2.26 5.347320785e+00 5.347320785e+00 2.28 4.546460501e+00 4.546460501e+00 2.30 3.806027570e+00 3.806027570e+00 2.32 3.121524990e+00 3.121524990e+00 2.34 2.488558649e+00 2.488558649e+00 2.36 1.902885622e+00 1.902885622e+00 2.38 1.360492213e+00 1.360492213e+00 2.40 8.576749931e-01 8.576749931e-01 2.42 3.911035722e-01 3.911035722e-01 2.44 -4.215095190e-02 -4.215095190e-02 2.46 -4.446222715e-01 -4.446222715e-01 2.48 -8.184850765e-01 -8.184850765e-01 2.50 -1.165588279e+00 -1.165588279e+00 2.52 -1.487359851e+00 -1.487359851e+00 2.54 -1.785383163e+00 -1.785383163e+00 2.56 -2.061152208e+00 -2.061152208e+00 2.58 -2.316011662e+00 -2.316011662e+00 2.60 -2.551197905e+00 -2.551197905e+00 2.62 -2.767867281e+00 -2.767867281e+00 2.64 -2.967117471e+00 -2.967117471e+00 2.66 -3.149992468e+00 -3.149992468e+00 2.68 -3.317321418e+00 -3.317321418e+00 2.70 -3.469672420e+00 -3.469672420e+00 2.72 -3.607634593e+00 -3.607634593e+00 2.74 -3.731817702e+00 -3.731817702e+00 2.76 -3.842828051e+00 -3.842828051e+00 2.78 -3.941250078e+00 -3.941250078e+00 2.80 -4.027635076e+00 -4.027635076e+00 2.82 -4.102497541e+00 -4.102497541e+00 2.84 -4.166317903e+00 -4.166317903e+00 2.86 -4.219549638e+00 -4.219549638e+00 2.88 -4.262628084e+00 -4.262628084e+00 2.90 -4.295978707e+00 -4.295978707e+00 2.92 -4.320023181e+00 -4.320023181e+00 2.94 -4.335182480e+00 -4.335182480e+00 2.96 -4.341876918e+00 -4.341876918e+00 2.98 -4.340523633e+00 -4.340523633e+00 3.00 -4.331565147e+00 -4.331565147e+00 3.02 -4.315555480e+00 -4.315555480e+00 3.04 -4.292761751e+00 -4.292761751e+00 3.06 -4.263411995e+00 -4.263411995e+00 3.08 -4.227739058e+00 -4.227739058e+00 3.10 -4.185982074e+00 -4.185982074e+00 3.12 -4.138387923e+00 -4.138387923e+00 3.14 -4.085220602e+00 -4.085220602e+00 3.16 -4.026763608e+00 -4.026763608e+00 3.18 -3.963332889e+00 -3.963332889e+00 3.20 -3.895292190e+00 -3.895292190e+00 3.22 -3.823064471e+00 -3.823064471e+00 3.24 -3.747121385e+00 -3.747121385e+00 3.26 -3.667981586e+00 -3.667981586e+00 3.28 -3.586205830e+00 -3.586205830e+00 3.30 -3.502386503e+00 -3.502386503e+00 3.32 -3.417131782e+00 -3.417131782e+00 3.34 -3.331045361e+00 -3.331045361e+00 3.36 -3.244703586e+00 -3.244703586e+00 3.38 -3.158632414e+00 -3.158632414e+00 3.40 -3.073286799e+00 -3.073286799e+00 3.42 -2.989035303e+00 -2.989035303e+00 3.44 -2.906150205e+00 -2.906150205e+00 3.46 -2.824805430e+00 -2.824805430e+00 3.48 -2.745080450e+00 -2.745080450e+00 3.50 -2.666985740e+00 -2.666985740e+00 3.52 -2.590470058e+00 -2.590470058e+00 3.54 -2.515351094e+00 -2.515351094e+00 3.56 -2.441405332e+00 -2.441405332e+00 3.58 -2.368387970e+00 -2.368387970e+00 3.60 -2.296047214e+00 -2.296047214e+00 3.62 -2.224137651e+00 -2.224137651e+00 3.64 -2.152422843e+00 -2.152422843e+00 3.66 -2.080668652e+00 -2.080668652e+00 3.68 -2.008679366e+00 -2.008679366e+00 3.70 -1.936313289e+00 -1.936313289e+00 3.72 -1.863492496e+00 -1.863492496e+00 3.74 -1.790210942e+00 -1.790210942e+00 3.76 -1.716540057e+00 -1.716540057e+00 3.78 -1.642630822e+00 -1.642630822e+00 3.80 -1.568711405e+00 -1.568711405e+00 3.82 -1.495079722e+00 -1.495079722e+00 3.84 -1.422090799e+00 -1.422090799e+00 3.86 -1.350139432e+00 -1.350139432e+00 3.88 -1.279639371e+00 -1.279639371e+00 3.90 -1.211000828e+00 -1.211000828e+00 3.92 -1.144608089e+00 -1.144608089e+00 3.94 -1.080801393e+00 -1.080801393e+00 3.96 -1.019859524e+00 -1.019859524e+00 3.98 -9.619914832e-01 -9.619914832e-01 4.00 -9.073319042e-01 -9.073319042e-01 4.02 -8.559421802e-01 -8.559421802e-01 4.04 -8.078159571e-01 -8.078159571e-01 4.06 -7.628877669e-01 -7.628877669e-01 4.08 -7.210435078e-01 -7.210435078e-01 4.10 -6.821301816e-01 -6.821301816e-01 4.12 -6.459727106e-01 -6.459727106e-01 4.14 -6.123745827e-01 -6.123745827e-01 4.16 -5.811330672e-01 -5.811330672e-01 4.18 -5.520446777e-01 -5.520446777e-01 4.20 -5.249109144e-01 -5.249109144e-01 4.22 -4.995426683e-01 -4.995426683e-01 4.24 -4.757634619e-01 -4.757634619e-01 4.26 -4.534117182e-01 -4.534117182e-01 4.28 -4.323422321e-01 -4.323422321e-01 4.30 -4.124269882e-01 -4.124269882e-01 4.32 -3.935554169e-01 -3.935554169e-01 4.34 -3.756341551e-01 -3.756341551e-01 4.36 -3.585863479e-01 -3.585863479e-01 4.38 -3.423504785e-01 -3.423504785e-01 4.40 -3.268787481e-01 -3.268787481e-01 4.42 -3.121350631e-01 -3.121350631e-01 4.44 -2.980926569e-01 -2.980926569e-01 4.46 -2.847309772e-01 -2.847309772e-01 4.48 -2.720347738e-01 -2.720347738e-01 4.50 -2.599907787e-01 -2.599907787e-01 4.52 -2.485853179e-01 -2.485853179e-01 4.54 -2.378028283e-01 -2.378028283e-01 4.56 -2.276248728e-01 -2.276248728e-01 4.58 -2.180296784e-01 -2.180296784e-01 4.60 -2.089921532e-01 -2.089921532e-01 4.62 -2.004842875e-01 -2.004842875e-01 4.64 -1.924758170e-01 -1.924758170e-01 4.66 -1.849350232e-01 -1.849350232e-01 4.68 -1.778295618e-01 -1.778295618e-01 4.70 -1.711272344e-01 -1.711272344e-01 4.72 -1.647966483e-01 -1.647966483e-01 4.74 -1.588077370e-01 -1.588077370e-01 4.76 -1.531321351e-01 -1.531321351e-01 4.78 -1.477434171e-01 -1.477434171e-01 4.80 -1.426164227e-01 -1.426164227e-01 4.82 -1.377305946e-01 -1.377305946e-01 4.84 -1.330647548e-01 -1.330647548e-01 4.86 -1.286006212e-01 -1.286006212e-01 4.88 -1.243217339e-01 -1.243217339e-01 4.90 -1.202133122e-01 -1.202133122e-01 4.92 -1.162621072e-01 -1.162621072e-01 4.94 -1.124562571e-01 -1.124562571e-01 4.96 -1.087851524e-01 -1.087851524e-01 4.98 -1.052393130e-01 -1.052393130e-01 5.00 -1.018102801e-01 -1.018102801e-01 5.02 -9.849052405e-02 -9.849052405e-02 5.04 -9.527336669e-02 -9.527336669e-02 5.06 -9.215291727e-02 -9.215291727e-02 5.08 -8.912402021e-02 -8.912402021e-02 5.10 -8.618221168e-02 -8.618221168e-02 5.12 -8.332368207e-02 -8.332368207e-02 5.14 -8.054524050e-02 -8.054524050e-02 5.16 -7.784427774e-02 -7.784427774e-02 5.18 -7.521872377e-02 -7.521872377e-02 5.20 -7.266699704e-02 -7.266699704e-02 5.22 -7.018794270e-02 -7.018794270e-02 5.24 -6.778075917e-02 -6.778075917e-02 5.26 -6.544490377e-02 -6.544490377e-02 5.28 -6.317994962e-02 -6.317994962e-02 5.30 -6.098562781e-02 -6.098562781e-02 5.32 -5.886166099e-02 -5.886166099e-02 5.34 -5.680764912e-02 -5.680764912e-02 5.36 -5.482298783e-02 -5.482298783e-02 5.38 -5.290680258e-02 -5.290680258e-02 5.40 -5.105790436e-02 -5.105790436e-02 5.42 -4.927476701e-02 -4.927476701e-02 5.44 -4.755552579e-02 -4.755552579e-02 5.46 -4.589799512e-02 -4.589799512e-02 5.48 -4.429970191e-02 -4.429970191e-02 5.50 -4.275793008e-02 -4.275793008e-02 5.52 -4.126977175e-02 -4.126977175e-02 5.54 -3.983218099e-02 -3.983218099e-02 5.56 -3.844202666e-02 -3.844202666e-02 5.58 -3.709614165e-02 -3.709614165e-02 5.60 -3.579136707e-02 -3.579136707e-02 5.62 -3.452459047e-02 -3.452459047e-02 5.64 -3.329277906e-02 -3.329277906e-02 5.66 -3.209300634e-02 -3.209300634e-02 5.68 -3.092247479e-02 -3.092247479e-02 5.70 -2.977853538e-02 -2.977853538e-02 5.72 -2.865870479e-02 -2.865870479e-02 5.74 -2.756068167e-02 -2.756068167e-02 5.76 -2.648236260e-02 -2.648236260e-02 5.78 -2.542185867e-02 -2.542185867e-02 5.80 -2.437751287e-02 -2.437751287e-02 5.82 -2.334791864e-02 -2.334791864e-02 5.84 -2.233193901e-02 -2.233193901e-02 5.86 -2.132872602e-02 -2.132872602e-02 5.88 -2.033773919e-02 -2.033773919e-02 5.90 -1.935876184e-02 -1.935876184e-02 5.92 -1.839191352e-02 -1.839191352e-02 5.94 -1.743764197e-02 -1.743764197e-02 5.96 -1.649666841e-02 -1.649666841e-02 5.98 -1.557013630e-02 -1.557013630e-02 6.00 -1.465951601e-02 -1.465951601e-02