# 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 = AgAuPt2 # 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 1.055221899e+03 1.055221899e+03 1.00 9.685532159e+02 9.685532159e+02 1.02 8.897688018e+02 8.897688018e+02 1.04 8.180760485e+02 8.180760485e+02 1.06 7.527706868e+02 7.527706868e+02 1.08 6.932237140e+02 6.932237140e+02 1.10 6.388762141e+02 6.388762141e+02 1.12 5.892267966e+02 5.892267966e+02 1.14 5.438262181e+02 5.438262181e+02 1.16 5.022723656e+02 5.022723656e+02 1.18 4.642036888e+02 4.642036888e+02 1.20 4.292955566e+02 4.292955566e+02 1.22 3.972551287e+02 3.972551287e+02 1.24 3.678206661e+02 3.678206661e+02 1.26 3.407550515e+02 3.407550515e+02 1.28 3.158446586e+02 3.158446586e+02 1.30 2.928956288e+02 2.928956288e+02 1.32 2.717345620e+02 2.717345620e+02 1.34 2.522045814e+02 2.522045814e+02 1.36 2.341635853e+02 2.341635853e+02 1.38 2.174833223e+02 2.174833223e+02 1.40 2.020474755e+02 2.020474755e+02 1.42 1.877502279e+02 1.877502279e+02 1.44 1.744966422e+02 1.744966422e+02 1.46 1.622000942e+02 1.622000942e+02 1.48 1.507821332e+02 1.507821332e+02 1.50 1.401716237e+02 1.401716237e+02 1.52 1.303038280e+02 1.303038280e+02 1.54 1.211197303e+02 1.211197303e+02 1.56 1.125654902e+02 1.125654902e+02 1.58 1.045921061e+02 1.045921061e+02 1.60 9.715558787e+01 9.715558787e+01 1.62 9.021503655e+01 9.021503655e+01 1.64 8.373373954e+01 8.373373954e+01 1.66 7.767776077e+01 7.767776077e+01 1.68 7.201605411e+01 7.201605411e+01 1.70 6.672017916e+01 6.672017916e+01 1.72 6.176398061e+01 6.176398061e+01 1.74 5.712357439e+01 5.712357439e+01 1.76 5.277693901e+01 5.277693901e+01 1.78 4.870348645e+01 4.870348645e+01 1.80 4.488469060e+01 4.488469060e+01 1.82 4.130350226e+01 4.130350226e+01 1.84 3.794403435e+01 3.794403435e+01 1.86 3.479161271e+01 3.479161271e+01 1.88 3.183265759e+01 3.183265759e+01 1.90 2.905706847e+01 2.905706847e+01 1.92 2.644321902e+01 2.644321902e+01 1.94 2.401401441e+01 2.401401441e+01 1.96 2.174423848e+01 2.174423848e+01 1.98 1.962425626e+01 1.962425626e+01 2.00 1.764527915e+01 1.764527915e+01 2.02 1.579900096e+01 1.579900096e+01 2.04 1.407763188e+01 1.407763188e+01 2.06 1.247382721e+01 1.247382721e+01 2.08 1.098065487e+01 1.098065487e+01 2.10 9.591737967e+00 9.591737967e+00 2.12 8.300796823e+00 8.300796823e+00 2.14 7.102260467e+00 7.102260467e+00 2.16 5.990747804e+00 5.990747804e+00 2.18 4.961227752e+00 4.961227752e+00 2.20 4.009029757e+00 4.009029757e+00 2.22 3.129548806e+00 3.129548806e+00 2.24 2.318556086e+00 2.318556086e+00 2.26 1.572032531e+00 1.572032531e+00 2.28 8.861403813e-01 8.861403813e-01 2.30 2.572130930e-01 2.572130930e-01 2.32 -3.182320264e-01 -3.182320264e-01 2.34 -8.429654506e-01 -8.429654506e-01 2.36 -1.320517136e+00 -1.320517136e+00 2.38 -1.753810854e+00 -1.753810854e+00 2.40 -2.145630445e+00 -2.145630445e+00 2.42 -2.498760735e+00 -2.498760735e+00 2.44 -2.815605047e+00 -2.815605047e+00 2.46 -3.098604374e+00 -3.098604374e+00 2.48 -3.350072852e+00 -3.350072852e+00 2.50 -3.572175074e+00 -3.572175074e+00 2.52 -3.766962283e+00 -3.766962283e+00 2.54 -3.936376992e+00 -3.936376992e+00 2.56 -4.082257351e+00 -4.082257351e+00 2.58 -4.206341280e+00 -4.206341280e+00 2.60 -4.310170216e+00 -4.310170216e+00 2.62 -4.394990672e+00 -4.394990672e+00 2.64 -4.462671982e+00 -4.462671982e+00 2.66 -4.514772513e+00 -4.514772513e+00 2.68 -4.552570162e+00 -4.552570162e+00 2.70 -4.577014534e+00 -4.577014534e+00 2.72 -4.589302770e+00 -4.589302770e+00 2.74 -4.590546803e+00 -4.590546803e+00 2.76 -4.581742163e+00 -4.581742163e+00 2.78 -4.564293354e+00 -4.564293354e+00 2.80 -4.538938776e+00 -4.538938776e+00 2.82 -4.506139562e+00 -4.506139562e+00 2.84 -4.466649829e+00 -4.466649829e+00 2.86 -4.421171689e+00 -4.421171689e+00 2.88 -4.370357159e+00 -4.370357159e+00 2.90 -4.314854325e+00 -4.314854325e+00 2.92 -4.255654823e+00 -4.255654823e+00 2.94 -4.192762599e+00 -4.192762599e+00 2.96 -4.126657471e+00 -4.126657471e+00 2.98 -4.057642944e+00 -4.057642944e+00 3.00 -3.985022895e+00 -3.985022895e+00 3.02 -3.910335519e+00 -3.910335519e+00 3.04 -3.834088730e+00 -3.834088730e+00 3.06 -3.756598649e+00 -3.756598649e+00 3.08 -3.678174626e+00 -3.678174626e+00 3.10 -3.598826486e+00 -3.598826486e+00 3.12 -3.518932234e+00 -3.518932234e+00 3.14 -3.438808353e+00 -3.438808353e+00 3.16 -3.358606466e+00 -3.358606466e+00 3.18 -3.278492200e+00 -3.278492200e+00 3.20 -3.198683997e+00 -3.198683997e+00 3.22 -3.119319981e+00 -3.119319981e+00 3.24 -3.040515655e+00 -3.040515655e+00 3.26 -2.963036493e+00 -2.963036493e+00 3.28 -2.886524897e+00 -2.886524897e+00 3.30 -2.810845854e+00 -2.810845854e+00 3.32 -2.736080946e+00 -2.736080946e+00 3.34 -2.662303055e+00 -2.662303055e+00 3.36 -2.589575930e+00 -2.589575930e+00 3.38 -2.517955015e+00 -2.517955015e+00 3.40 -2.447504512e+00 -2.447504512e+00 3.42 -2.378466830e+00 -2.378466830e+00 3.44 -2.310646550e+00 -2.310646550e+00 3.46 -2.244073368e+00 -2.244073368e+00 3.48 -2.178770928e+00 -2.178770928e+00 3.50 -2.114758172e+00 -2.114758172e+00 3.52 -2.052049247e+00 -2.052049247e+00 3.54 -1.990661114e+00 -1.990661114e+00 3.56 -1.930589063e+00 -1.930589063e+00 3.58 -1.871845324e+00 -1.871845324e+00 3.60 -1.814433244e+00 -1.814433244e+00 3.62 -1.758235938e+00 -1.758235938e+00 3.64 -1.703145633e+00 -1.703145633e+00 3.66 -1.649200783e+00 -1.649200783e+00 3.68 -1.596528224e+00 -1.596528224e+00 3.70 -1.545212508e+00 -1.545212508e+00 3.72 -1.495230282e+00 -1.495230282e+00 3.74 -1.446531563e+00 -1.446531563e+00 3.76 -1.399076348e+00 -1.399076348e+00 3.78 -1.352837535e+00 -1.352837535e+00 3.80 -1.307800144e+00 -1.307800144e+00 3.82 -1.263953811e+00 -1.263953811e+00 3.84 -1.221294044e+00 -1.221294044e+00 3.86 -1.179795980e+00 -1.179795980e+00 3.88 -1.139428588e+00 -1.139428588e+00 3.90 -1.100166491e+00 -1.100166491e+00 3.92 -1.062004734e+00 -1.062004734e+00 3.94 -1.024944394e+00 -1.024944394e+00 3.96 -9.889106927e-01 -9.889106927e-01 3.98 -9.538243863e-01 -9.538243863e-01 4.00 -9.196193299e-01 -9.196193299e-01 4.02 -8.863249730e-01 -8.863249730e-01 4.04 -8.540680559e-01 -8.540680559e-01 4.06 -8.229406178e-01 -8.229406178e-01 4.08 -7.930055291e-01 -7.930055291e-01 4.10 -7.643626324e-01 -7.643626324e-01 4.12 -7.370413789e-01 -7.370413789e-01 4.14 -7.109731580e-01 -7.109731580e-01 4.16 -6.860019561e-01 -6.860019561e-01 4.18 -6.617854300e-01 -6.617854300e-01 4.20 -6.380563996e-01 -6.380563996e-01 4.22 -6.146253852e-01 -6.146253852e-01 4.24 -5.913647168e-01 -5.913647168e-01 4.26 -5.681953443e-01 -5.681953443e-01 4.28 -5.450759374e-01 -5.450759374e-01 4.30 -5.219939226e-01 -5.219939226e-01 4.32 -4.989551721e-01 -4.989551721e-01 4.34 -4.759308464e-01 -4.759308464e-01 4.36 -4.529902971e-01 -4.529902971e-01 4.38 -4.301865208e-01 -4.301865208e-01 4.40 -4.076277666e-01 -4.076277666e-01 4.42 -3.854811606e-01 -3.854811606e-01 4.44 -3.638771558e-01 -3.638771558e-01 4.46 -3.429136808e-01 -3.429136808e-01 4.48 -3.226618794e-01 -3.226618794e-01 4.50 -3.031709443e-01 -3.031709443e-01 4.52 -2.844721810e-01 -2.844721810e-01 4.54 -2.665824167e-01 -2.665824167e-01 4.56 -2.495066616e-01 -2.495066616e-01 4.58 -2.332247074e-01 -2.332247074e-01 4.60 -2.181860282e-01 -2.181860282e-01 4.62 -2.043264008e-01 -2.043264008e-01 4.64 -1.911597346e-01 -1.911597346e-01 4.66 -1.786798957e-01 -1.786798957e-01 4.68 -1.668627677e-01 -1.668627677e-01 4.70 -1.556827741e-01 -1.556827741e-01 4.72 -1.451134920e-01 -1.451134920e-01 4.74 -1.351280940e-01 -1.351280940e-01 4.76 -1.256997021e-01 -1.256997021e-01 4.78 -1.168016660e-01 -1.168016660e-01 4.80 -1.083995661e-01 -1.083995661e-01 4.82 -1.007190886e-01 -1.007190886e-01 4.84 -9.357070538e-02 -9.357070538e-02 4.86 -8.682838056e-02 -8.682838056e-02 4.88 -8.047057981e-02 -8.047057981e-02 4.90 -7.447664187e-02 -7.447664187e-02 4.92 -6.882679348e-02 -6.882679348e-02 4.94 -6.350215291e-02 -6.350215291e-02 4.96 -5.848472316e-02 -5.848472316e-02 4.98 -5.375737814e-02 -5.375737814e-02 5.00 -4.930384325e-02 -4.930384325e-02 5.02 -4.510867241e-02 -4.510867241e-02 5.04 -4.115722158e-02 -4.115722158e-02 5.06 -3.743561888e-02 -3.743561888e-02 5.08 -3.393073446e-02 -3.393073446e-02 5.10 -3.063014932e-02 -3.063014932e-02 5.12 -2.752212415e-02 -2.752212415e-02 5.14 -2.459556756e-02 -2.459556756e-02 5.16 -2.184000486e-02 -2.184000486e-02 5.18 -1.924554753e-02 -1.924554753e-02 5.20 -1.680286356e-02 -1.680286356e-02 5.22 -1.450314884e-02 -1.450314884e-02 5.24 -1.233809895e-02 -1.233809895e-02 5.26 -1.029985446e-02 -1.029985446e-02 5.28 -8.382858895e-03 -8.382858895e-03 5.30 -6.619821260e-03 -6.619821260e-03 5.32 -5.844974265e-03 -5.844974265e-03 5.34 -5.145725534e-03 -5.145725534e-03 5.36 -4.495772236e-03 -4.495772236e-03 5.38 -3.885493655e-03 -3.885493655e-03 5.40 -3.312527785e-03 -3.312527785e-03 5.42 -2.774649756e-03 -2.774649756e-03 5.44 -2.269764037e-03 -2.269764037e-03 5.46 -1.795897108e-03 -1.795897108e-03 5.48 -1.351190551e-03 -1.351190551e-03 5.50 -9.338945340e-04 -9.338945340e-04 5.52 -5.423615607e-04 -5.423615607e-04 5.54 -1.726857715e-04 -1.726857715e-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