# 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 = Ni2PdPt # 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 7.678309795e+02 7.678309795e+02 0.98 6.974617031e+02 6.974617031e+02 1.00 6.338455751e+02 6.338455751e+02 1.02 5.763081036e+02 5.763081036e+02 1.04 5.242535804e+02 5.242535804e+02 1.06 4.771474840e+02 4.771474840e+02 1.08 4.345010353e+02 4.345010353e+02 1.10 3.958846965e+02 3.958846965e+02 1.12 3.609014792e+02 3.609014792e+02 1.14 3.291957816e+02 3.291957816e+02 1.16 3.004535965e+02 3.004535965e+02 1.18 2.743863990e+02 2.743863990e+02 1.20 2.507340881e+02 2.507340881e+02 1.22 2.292581952e+02 2.292581952e+02 1.24 2.097526127e+02 2.097526127e+02 1.26 1.920245506e+02 1.920245506e+02 1.28 1.759005669e+02 1.759005669e+02 1.30 1.612239689e+02 1.612239689e+02 1.32 1.478555785e+02 1.478555785e+02 1.34 1.356685519e+02 1.356685519e+02 1.36 1.245509181e+02 1.245509181e+02 1.38 1.143996475e+02 1.143996475e+02 1.40 1.051194225e+02 1.051194225e+02 1.42 9.662748129e+01 9.662748129e+01 1.44 8.885138120e+01 8.885138120e+01 1.46 8.172336656e+01 8.172336656e+01 1.48 7.518194414e+01 7.518194414e+01 1.50 6.917278467e+01 6.917278467e+01 1.52 6.364745652e+01 6.364745652e+01 1.54 5.856170021e+01 5.856170021e+01 1.56 5.387440869e+01 5.387440869e+01 1.58 4.954976726e+01 4.954976726e+01 1.60 4.555757577e+01 4.555757577e+01 1.62 4.186894880e+01 4.186894880e+01 1.64 3.845735941e+01 3.845735941e+01 1.66 3.529928318e+01 3.529928318e+01 1.68 3.237347837e+01 3.237347837e+01 1.70 2.966041623e+01 2.966041623e+01 1.72 2.714120840e+01 2.714120840e+01 1.74 2.480237502e+01 2.480237502e+01 1.76 2.262962172e+01 2.262962172e+01 1.78 2.060876530e+01 2.060876530e+01 1.80 1.873043388e+01 1.873043388e+01 1.82 1.698343079e+01 1.698343079e+01 1.84 1.536632928e+01 1.536632928e+01 1.86 1.382518741e+01 1.382518741e+01 1.88 1.240335410e+01 1.240335410e+01 1.90 1.105636222e+01 1.105636222e+01 1.92 9.782696954e+00 9.782696954e+00 1.94 8.580531781e+00 8.580531781e+00 1.96 7.448007941e+00 7.448007941e+00 1.98 6.383186255e+00 6.383186255e+00 2.00 5.384025520e+00 5.384025520e+00 2.02 4.448396748e+00 4.448396748e+00 2.04 3.574099325e+00 3.574099325e+00 2.06 2.758777088e+00 2.758777088e+00 2.08 2.000009478e+00 2.000009478e+00 2.10 1.295364569e+00 1.295364569e+00 2.12 6.435820582e-01 6.435820582e-01 2.14 4.149897802e-02 4.149897802e-02 2.16 -5.131387427e-01 -5.131387427e-01 2.18 -1.022588357e+00 -1.022588357e+00 2.20 -1.489075328e+00 -1.489075328e+00 2.22 -1.914785538e+00 -1.914785538e+00 2.24 -2.301858962e+00 -2.301858962e+00 2.26 -2.652168868e+00 -2.652168868e+00 2.28 -2.967912584e+00 -2.967912584e+00 2.30 -3.251136302e+00 -3.251136302e+00 2.32 -3.503837018e+00 -3.503837018e+00 2.34 -3.727612749e+00 -3.727612749e+00 2.36 -3.924015731e+00 -3.924015731e+00 2.38 -4.095118176e+00 -4.095118176e+00 2.40 -4.242415900e+00 -4.242415900e+00 2.42 -4.368104151e+00 -4.368104151e+00 2.44 -4.473340450e+00 -4.473340450e+00 2.46 -4.559584231e+00 -4.559584231e+00 2.48 -4.628239055e+00 -4.628239055e+00 2.50 -4.680639421e+00 -4.680639421e+00 2.52 -4.718795793e+00 -4.718795793e+00 2.54 -4.743533474e+00 -4.743533474e+00 2.56 -4.755669827e+00 -4.755669827e+00 2.58 -4.756284589e+00 -4.756284589e+00 2.60 -4.746399507e+00 -4.746399507e+00 2.62 -4.726981113e+00 -4.726981113e+00 2.64 -4.698721387e+00 -4.698721387e+00 2.66 -4.662801169e+00 -4.662801169e+00 2.68 -4.620104643e+00 -4.620104643e+00 2.70 -4.571171990e+00 -4.571171990e+00 2.72 -4.516730441e+00 -4.516730441e+00 2.74 -4.456490585e+00 -4.456490585e+00 2.76 -4.391868993e+00 -4.391868993e+00 2.78 -4.324003837e+00 -4.324003837e+00 2.80 -4.253207220e+00 -4.253207220e+00 2.82 -4.179652050e+00 -4.179652050e+00 2.84 -4.103773290e+00 -4.103773290e+00 2.86 -4.025967177e+00 -4.025967177e+00 2.88 -3.946042868e+00 -3.946042868e+00 2.90 -3.864652300e+00 -3.864652300e+00 2.92 -3.782403700e+00 -3.782403700e+00 2.94 -3.699595020e+00 -3.699595020e+00 2.96 -3.617065272e+00 -3.617065272e+00 2.98 -3.533871031e+00 -3.533871031e+00 3.00 -3.450398750e+00 -3.450398750e+00 3.02 -3.367221384e+00 -3.367221384e+00 3.04 -3.284496165e+00 -3.284496165e+00 3.06 -3.202368227e+00 -3.202368227e+00 3.08 -3.120964759e+00 -3.120964759e+00 3.10 -3.040398026e+00 -3.040398026e+00 3.12 -2.960766659e+00 -2.960766659e+00 3.14 -2.882156803e+00 -2.882156803e+00 3.16 -2.804643218e+00 -2.804643218e+00 3.18 -2.728290286e+00 -2.728290286e+00 3.20 -2.653152948e+00 -2.653152948e+00 3.22 -2.579277507e+00 -2.579277507e+00 3.24 -2.506697080e+00 -2.506697080e+00 3.26 -2.436089424e+00 -2.436089424e+00 3.28 -2.367033474e+00 -2.367033474e+00 3.30 -2.299306075e+00 -2.299306075e+00 3.32 -2.232924363e+00 -2.232924363e+00 3.34 -2.167900739e+00 -2.167900739e+00 3.36 -2.104242096e+00 -2.104242096e+00 3.38 -2.041945249e+00 -2.041945249e+00 3.40 -1.981046356e+00 -1.981046356e+00 3.42 -1.921552690e+00 -1.921552690e+00 3.44 -1.863279285e+00 -1.863279285e+00 3.46 -1.806077362e+00 -1.806077362e+00 3.48 -1.750028384e+00 -1.750028384e+00 3.50 -1.695247269e+00 -1.695247269e+00 3.52 -1.641744802e+00 -1.641744802e+00 3.54 -1.589496529e+00 -1.589496529e+00 3.56 -1.538471006e+00 -1.538471006e+00 3.58 -1.488692546e+00 -1.488692546e+00 3.60 -1.440189882e+00 -1.440189882e+00 3.62 -1.392959818e+00 -1.392959818e+00 3.64 -1.346971205e+00 -1.346971205e+00 3.66 -1.302201914e+00 -1.302201914e+00 3.68 -1.258622302e+00 -1.258622302e+00 3.70 -1.216195805e+00 -1.216195805e+00 3.72 -1.174905890e+00 -1.174905890e+00 3.74 -1.134737410e+00 -1.134737410e+00 3.76 -1.095665750e+00 -1.095665750e+00 3.78 -1.057667177e+00 -1.057667177e+00 3.80 -1.020646099e+00 -1.020646099e+00 3.82 -9.846187159e-01 -9.846187159e-01 3.84 -9.495880080e-01 -9.495880080e-01 3.86 -9.155712631e-01 -9.155712631e-01 3.88 -8.825858074e-01 -8.825858074e-01 3.90 -8.506416002e-01 -8.506416002e-01 3.92 -8.197858543e-01 -8.197858543e-01 3.94 -7.899476370e-01 -7.899476370e-01 3.96 -7.608797389e-01 -7.608797389e-01 3.98 -7.325438131e-01 -7.325438131e-01 4.00 -7.049202311e-01 -7.049202311e-01 4.02 -6.779998656e-01 -6.779998656e-01 4.04 -6.517807579e-01 -6.517807579e-01 4.06 -6.262655109e-01 -6.262655109e-01 4.08 -6.014727465e-01 -6.014727465e-01 4.10 -5.775424321e-01 -5.775424321e-01 4.12 -5.543171365e-01 -5.543171365e-01 4.14 -5.315607448e-01 -5.315607448e-01 4.16 -5.092813195e-01 -5.092813195e-01 4.18 -4.880465307e-01 -4.880465307e-01 4.20 -4.671387860e-01 -4.671387860e-01 4.22 -4.465606512e-01 -4.465606512e-01 4.24 -4.263162077e-01 -4.263162077e-01 4.26 -4.064135890e-01 -4.064135890e-01 4.28 -3.868632176e-01 -3.868632176e-01 4.30 -3.676769587e-01 -3.676769587e-01 4.32 -3.488674130e-01 -3.488674130e-01 4.34 -3.304210398e-01 -3.304210398e-01 4.36 -3.123101664e-01 -3.123101664e-01 4.38 -2.946193649e-01 -2.946193649e-01 4.40 -2.774196868e-01 -2.774196868e-01 4.42 -2.607639669e-01 -2.607639669e-01 4.44 -2.446898944e-01 -2.446898944e-01 4.46 -2.292226326e-01 -2.292226326e-01 4.48 -2.143770376e-01 -2.143770376e-01 4.50 -2.001595442e-01 -2.001595442e-01 4.52 -1.865697609e-01 -1.865697609e-01 4.54 -1.736018147e-01 -1.736018147e-01 4.56 -1.612454868e-01 -1.612454868e-01 4.58 -1.494889343e-01 -1.494889343e-01 4.60 -1.386842056e-01 -1.386842056e-01 4.62 -1.287763813e-01 -1.287763813e-01 4.64 -1.193656869e-01 -1.193656869e-01 4.66 -1.104346148e-01 -1.104346148e-01 4.68 -1.019649514e-01 -1.019649514e-01 4.70 -9.393807703e-02 -9.393807703e-02 4.72 -8.633521138e-02 -8.633521138e-02 4.74 -7.913761116e-02 -7.913761116e-02 4.76 -7.232672988e-02 -7.232672988e-02 4.78 -6.589234781e-02 -6.589234781e-02 4.80 -5.985869888e-02 -5.985869888e-02 4.82 -5.543248095e-02 -5.543248095e-02 4.84 -5.130096568e-02 -5.130096568e-02 4.86 -4.739828495e-02 -4.739828495e-02 4.88 -4.370933858e-02 -4.370933858e-02 4.90 -4.022331309e-02 -4.022331309e-02 4.92 -3.692979354e-02 -3.692979354e-02 4.94 -3.381877604e-02 -3.381877604e-02 4.96 -3.088067403e-02 -3.088067403e-02 4.98 -2.810631948e-02 -2.810631948e-02 5.00 -2.548695994e-02 -2.548695994e-02 5.02 -2.301425246e-02 -2.301425246e-02 5.04 -2.068025496e-02 -2.068025496e-02 5.06 -1.847741562e-02 -1.847741562e-02 5.08 -1.639856085e-02 -1.639856085e-02 5.10 -1.443688232e-02 -1.443688232e-02 5.12 -1.258592315e-02 -1.258592315e-02 5.14 -1.083956387e-02 -1.083956387e-02 5.16 -9.192007999e-03 -9.192007999e-03 5.18 -7.637767751e-03 -7.637767751e-03 5.20 -6.171649778e-03 -6.171649778e-03 5.22 -4.788741138e-03 -4.788741138e-03 5.24 -3.484395610e-03 -3.484395610e-03 5.26 -2.254220393e-03 -2.254220393e-03 5.28 -1.094771203e-03 -1.094771203e-03 5.30 -1.709793074e-15 -1.709884489e-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 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