# 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 = AgNi2Pd # 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 4.762473915e+02 4.762473915e+02 1.00 4.356057414e+02 4.356057414e+02 1.02 3.988730776e+02 3.988730776e+02 1.04 3.656284900e+02 3.656284900e+02 1.06 3.355008276e+02 3.355008276e+02 1.08 3.081555023e+02 3.081555023e+02 1.10 2.832990120e+02 2.832990120e+02 1.12 2.606712166e+02 2.606712166e+02 1.14 2.400411901e+02 2.400411901e+02 1.16 2.212101676e+02 2.212101676e+02 1.18 2.039940698e+02 2.039940698e+02 1.20 1.882350509e+02 1.882350509e+02 1.22 1.737882376e+02 1.737882376e+02 1.24 1.605299269e+02 1.605299269e+02 1.26 1.483453373e+02 1.483453373e+02 1.28 1.371318240e+02 1.371318240e+02 1.30 1.268004812e+02 1.268004812e+02 1.32 1.172725660e+02 1.172725660e+02 1.34 1.084756409e+02 1.084756409e+02 1.36 1.003473226e+02 1.003473226e+02 1.38 9.283010299e+01 9.283010299e+01 1.40 8.586910396e+01 8.586910396e+01 1.42 7.941787769e+01 7.941787769e+01 1.44 7.343793013e+01 7.343793013e+01 1.46 6.789183765e+01 6.789183765e+01 1.48 6.274444742e+01 6.274444742e+01 1.50 5.796515915e+01 5.796515915e+01 1.52 5.352654695e+01 5.352654695e+01 1.54 4.940237726e+01 4.940237726e+01 1.56 4.556888711e+01 4.556888711e+01 1.58 4.200514185e+01 4.200514185e+01 1.60 3.869268413e+01 3.869268413e+01 1.62 3.561228556e+01 3.561228556e+01 1.64 3.274861671e+01 3.274861671e+01 1.66 3.008685272e+01 3.008685272e+01 1.68 2.761313035e+01 2.761313035e+01 1.70 2.531419497e+01 2.531419497e+01 1.72 2.317654343e+01 2.317654343e+01 1.74 2.119139391e+01 2.119139391e+01 1.76 1.934843613e+01 1.934843613e+01 1.78 1.763744185e+01 1.763744185e+01 1.80 1.603344624e+01 1.603344624e+01 1.82 1.455716424e+01 1.455716424e+01 1.84 1.315235762e+01 1.315235762e+01 1.86 1.186817828e+01 1.186817828e+01 1.88 1.065074216e+01 1.065074216e+01 1.90 9.500832222e+00 9.500832222e+00 1.92 8.416227148e+00 8.416227148e+00 1.94 7.395287106e+00 7.395287106e+00 1.96 6.436290825e+00 6.436290825e+00 1.98 5.536976877e+00 5.536976877e+00 2.00 4.695252316e+00 4.695252316e+00 2.02 3.908863729e+00 3.908863729e+00 2.04 3.175518131e+00 3.175518131e+00 2.06 2.492729940e+00 2.492729940e+00 2.08 1.858094394e+00 1.858094394e+00 2.10 1.269378153e+00 1.269378153e+00 2.12 7.251759453e-01 7.251759453e-01 2.14 2.232252246e-01 2.232252246e-01 2.16 -2.391982509e-01 -2.391982509e-01 2.18 -6.641590034e-01 -6.641590034e-01 2.20 -1.053643996e+00 -1.053643996e+00 2.22 -1.409670240e+00 -1.409670240e+00 2.24 -1.734061323e+00 -1.734061323e+00 2.26 -2.028606293e+00 -2.028606293e+00 2.28 -2.295054044e+00 -2.295054044e+00 2.30 -2.535102308e+00 -2.535102308e+00 2.32 -2.750344371e+00 -2.750344371e+00 2.34 -2.942293525e+00 -2.942293525e+00 2.36 -3.112313709e+00 -3.112313709e+00 2.38 -3.261615828e+00 -3.261615828e+00 2.40 -3.391618637e+00 -3.391618637e+00 2.42 -3.504273593e+00 -3.504273593e+00 2.44 -3.600435861e+00 -3.600435861e+00 2.46 -3.681265093e+00 -3.681265093e+00 2.48 -3.747870171e+00 -3.747870171e+00 2.50 -3.801305043e+00 -3.801305043e+00 2.52 -3.843309650e+00 -3.843309650e+00 2.54 -3.874430749e+00 -3.874430749e+00 2.56 -3.895179486e+00 -3.895179486e+00 2.58 -3.906400608e+00 -3.906400608e+00 2.60 -3.908878556e+00 -3.908878556e+00 2.62 -3.903348850e+00 -3.903348850e+00 2.64 -3.890309687e+00 -3.890309687e+00 2.66 -3.870663788e+00 -3.870663788e+00 2.68 -3.845104553e+00 -3.845104553e+00 2.70 -3.814147220e+00 -3.814147220e+00 2.72 -3.778335437e+00 -3.778335437e+00 2.74 -3.738120986e+00 -3.738120986e+00 2.76 -3.693036606e+00 -3.693036606e+00 2.78 -3.644832477e+00 -3.644832477e+00 2.80 -3.593819843e+00 -3.593819843e+00 2.82 -3.540181659e+00 -3.540181659e+00 2.84 -3.484264573e+00 -3.484264573e+00 2.86 -3.426389254e+00 -3.426389254e+00 2.88 -3.366851401e+00 -3.366851401e+00 2.90 -3.305931275e+00 -3.305931275e+00 2.92 -3.243958263e+00 -3.243958263e+00 2.94 -3.181088029e+00 -3.181088029e+00 2.96 -3.117901068e+00 -3.117901068e+00 2.98 -3.053541797e+00 -3.053541797e+00 3.00 -2.988858824e+00 -2.988858824e+00 3.02 -2.924002601e+00 -2.924002601e+00 3.04 -2.859070614e+00 -2.859070614e+00 3.06 -2.794262979e+00 -2.794262979e+00 3.08 -2.729705100e+00 -2.729705100e+00 3.10 -2.665501391e+00 -2.665501391e+00 3.12 -2.601745885e+00 -2.601745885e+00 3.14 -2.538522666e+00 -2.538522666e+00 3.16 -2.475906646e+00 -2.475906646e+00 3.18 -2.413964295e+00 -2.413964295e+00 3.20 -2.352754313e+00 -2.352754313e+00 3.22 -2.292328237e+00 -2.292328237e+00 3.24 -2.232725034e+00 -2.232725034e+00 3.26 -2.174301177e+00 -2.174301177e+00 3.28 -2.116867013e+00 -2.116867013e+00 3.30 -2.060341247e+00 -2.060341247e+00 3.32 -2.004749140e+00 -2.004749140e+00 3.34 -1.950110156e+00 -1.950110156e+00 3.36 -1.896434219e+00 -1.896434219e+00 3.38 -1.843790390e+00 -1.843790390e+00 3.40 -1.792141407e+00 -1.792141407e+00 3.42 -1.741322174e+00 -1.741322174e+00 3.44 -1.691286994e+00 -1.691286994e+00 3.46 -1.642247033e+00 -1.642247033e+00 3.48 -1.594257389e+00 -1.594257389e+00 3.50 -1.547240253e+00 -1.547240253e+00 3.52 -1.501138059e+00 -1.501138059e+00 3.54 -1.455954217e+00 -1.455954217e+00 3.56 -1.411739769e+00 -1.411739769e+00 3.58 -1.368535185e+00 -1.368535185e+00 3.60 -1.326346729e+00 -1.326346729e+00 3.62 -1.285150551e+00 -1.285150551e+00 3.64 -1.244920080e+00 -1.244920080e+00 3.66 -1.205641420e+00 -1.205641420e+00 3.68 -1.167305651e+00 -1.167305651e+00 3.70 -1.129883785e+00 -1.129883785e+00 3.72 -1.093359146e+00 -1.093359146e+00 3.74 -1.057735239e+00 -1.057735239e+00 3.76 -1.023010984e+00 -1.023010984e+00 3.78 -9.891314566e-01 -9.891314566e-01 3.80 -9.559540538e-01 -9.559540538e-01 3.82 -9.235589028e-01 -9.235589028e-01 3.84 -8.920379683e-01 -8.920379683e-01 3.86 -8.614590749e-01 -8.614590749e-01 3.88 -8.318582741e-01 -8.318582741e-01 3.90 -8.031273830e-01 -8.031273830e-01 3.92 -7.753638178e-01 -7.753638178e-01 3.94 -7.486094419e-01 -7.486094419e-01 3.96 -7.226792233e-01 -7.226792233e-01 3.98 -6.974339197e-01 -6.974339197e-01 4.00 -6.727767662e-01 -6.727767662e-01 4.02 -6.486438440e-01 -6.486438440e-01 4.04 -6.251108044e-01 -6.251108044e-01 4.06 -6.021054417e-01 -6.021054417e-01 4.08 -5.793912803e-01 -5.793912803e-01 4.10 -5.568054177e-01 -5.568054177e-01 4.12 -5.342271293e-01 -5.342271293e-01 4.14 -5.115677414e-01 -5.115677414e-01 4.16 -4.889877622e-01 -4.889877622e-01 4.18 -4.673319761e-01 -4.673319761e-01 4.20 -4.458312538e-01 -4.458312538e-01 4.22 -4.245777724e-01 -4.245777724e-01 4.24 -4.036338463e-01 -4.036338463e-01 4.26 -3.830523623e-01 -3.830523623e-01 4.28 -3.628501088e-01 -3.628501088e-01 4.30 -3.430258620e-01 -3.430258620e-01 4.32 -3.236821460e-01 -3.236821460e-01 4.34 -3.049017390e-01 -3.049017390e-01 4.36 -2.867450414e-01 -2.867450414e-01 4.38 -2.692540657e-01 -2.692540657e-01 4.40 -2.524557947e-01 -2.524557947e-01 4.42 -2.363650084e-01 -2.363650084e-01 4.44 -2.209866445e-01 -2.209866445e-01 4.46 -2.063177803e-01 -2.063177803e-01 4.48 -1.923492876e-01 -1.923492876e-01 4.50 -1.790672056e-01 -1.790672056e-01 4.52 -1.664538774e-01 -1.664538774e-01 4.54 -1.544888913e-01 -1.544888913e-01 4.56 -1.431497347e-01 -1.431497347e-01 4.58 -1.324023684e-01 -1.324023684e-01 4.60 -1.225140076e-01 -1.225140076e-01 4.62 -1.134265992e-01 -1.134265992e-01 4.64 -1.048210465e-01 -1.048210465e-01 4.66 -9.668483941e-02 -9.668483941e-02 4.68 -8.899572072e-02 -8.899572072e-02 4.70 -8.173184649e-02 -8.173184649e-02 4.72 -7.487193884e-02 -7.487193884e-02 4.74 -6.839537134e-02 -6.839537134e-02 4.76 -6.228223057e-02 -6.228223057e-02 4.78 -5.651939974e-02 -5.651939974e-02 4.80 -5.109224269e-02 -5.109224269e-02 4.82 -4.748114119e-02 -4.748114119e-02 4.84 -4.411194795e-02 -4.411194795e-02 4.86 -4.092977752e-02 -4.092977752e-02 4.88 -3.792486180e-02 -3.792486180e-02 4.90 -3.508774741e-02 -3.508774741e-02 4.92 -3.240941236e-02 -3.240941236e-02 4.94 -2.988126013e-02 -2.988126013e-02 4.96 -2.749511060e-02 -2.749511060e-02 4.98 -2.524318907e-02 -2.524318907e-02 5.00 -2.311811363e-02 -2.311811363e-02 5.02 -2.111288179e-02 -2.111288179e-02 5.04 -1.922085618e-02 -1.922085618e-02 5.06 -1.743574929e-02 -1.743574929e-02 5.08 -1.575160855e-02 -1.575160855e-02 5.10 -1.416280120e-02 -1.416280120e-02 5.12 -1.266399955e-02 -1.266399955e-02 5.14 -1.125016614e-02 -1.125016614e-02 5.16 -9.916539344e-03 -9.916539344e-03 5.18 -8.658619408e-03 -8.658619408e-03 5.20 -7.472155045e-03 -7.472155045e-03 5.22 -6.353130520e-03 -6.353130520e-03 5.24 -5.297753018e-03 -5.297753018e-03 5.26 -4.302424563e-03 -4.302424563e-03 5.28 -3.364815207e-03 -3.364815207e-03 5.30 -2.504545714e-03 -2.504545714e-03 5.32 -2.202677505e-03 -2.202677505e-03 5.34 -1.935994140e-03 -1.935994140e-03 5.36 -1.689800693e-03 -1.689800693e-03 5.38 -1.459013430e-03 -1.459013430e-03 5.40 -1.242689746e-03 -1.242689746e-03 5.42 -1.039943407e-03 -1.039943407e-03 5.44 -8.499412344e-04 -8.499412344e-04 5.46 -6.718999979e-04 -6.718999979e-04 5.48 -5.050834924e-04 -5.050834924e-04 5.50 -3.487997909e-04 -3.487997909e-04 5.52 -2.023986160e-04 -2.023986160e-04 5.54 -6.439162742e-05 -6.439162742e-05 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 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