# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlCoNi2 # 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 nan nan 1.00 nan nan 1.02 -3.595914713e+02 -3.595914713e+02 1.04 -3.394539659e+02 -3.394539659e+02 1.06 -3.205305979e+02 -3.205305979e+02 1.08 -3.027447854e+02 -3.027447854e+02 1.10 -2.858806942e+02 -2.858806942e+02 1.12 -2.697207749e+02 -2.697207749e+02 1.14 -2.542962612e+02 -2.542962612e+02 1.16 -2.397411663e+02 -2.397411663e+02 1.18 -2.262506181e+02 -2.262506181e+02 1.20 -2.139948280e+02 -2.139948280e+02 1.22 -2.029493116e+02 -2.029493116e+02 1.24 -1.929306411e+02 -1.929306411e+02 1.26 -1.837896022e+02 -1.837896022e+02 1.28 -1.754430066e+02 -1.754430066e+02 1.30 -1.677336496e+02 -1.677336496e+02 1.32 -1.604491620e+02 -1.604491620e+02 1.34 -1.533742424e+02 -1.533742424e+02 1.36 -1.463982326e+02 -1.463982326e+02 1.38 -1.395057637e+02 -1.395057637e+02 1.40 -1.326886787e+02 -1.326886787e+02 1.42 -1.258784473e+02 -1.258784473e+02 1.44 -1.190021080e+02 -1.190021080e+02 1.46 -1.119842515e+02 -1.119842515e+02 1.48 -1.048039303e+02 -1.048039303e+02 1.50 -9.753983878e+01 -9.753983878e+01 1.52 -9.030980541e+01 -9.030980541e+01 1.54 -8.321589260e+01 -8.321589260e+01 1.56 -7.631205643e+01 -7.631205643e+01 1.58 -6.962244498e+01 -6.962244498e+01 1.60 -6.315542719e+01 -6.315542719e+01 1.62 -5.692339604e+01 -5.692339604e+01 1.64 -5.098411038e+01 -5.098411038e+01 1.66 -4.541558280e+01 -4.541558280e+01 1.68 -4.025788884e+01 -4.025788884e+01 1.70 -3.551094675e+01 -3.551094675e+01 1.72 -3.116550572e+01 -3.116550572e+01 1.74 -2.720877208e+01 -2.720877208e+01 1.76 -2.362423126e+01 -2.362423126e+01 1.78 -2.037309511e+01 -2.037309511e+01 1.80 -1.740332472e+01 -1.740332472e+01 1.82 -1.466649031e+01 -1.466649031e+01 1.84 -1.213290500e+01 -1.213290500e+01 1.86 -9.885617375e+00 -9.885617375e+00 1.88 -7.939912473e+00 -7.939912473e+00 1.90 -6.262476597e+00 -6.262476597e+00 1.92 -4.983089168e+00 -4.983089168e+00 1.94 -4.070047914e+00 -4.070047914e+00 1.96 -3.444035407e+00 -3.444035407e+00 1.98 -3.040276663e+00 -3.040276663e+00 2.00 -2.806343364e+00 -2.806343364e+00 2.02 -2.700086378e+00 -2.700086378e+00 2.04 -2.688042098e+00 -2.688042098e+00 2.06 -2.743233547e+00 -2.743233547e+00 2.08 -2.843982167e+00 -2.843982167e+00 2.10 -2.972981138e+00 -2.972981138e+00 2.12 -3.117283384e+00 -3.117283384e+00 2.14 -3.267248959e+00 -3.267248959e+00 2.16 -3.415173126e+00 -3.415173126e+00 2.18 -3.554425870e+00 -3.554425870e+00 2.20 -3.677771204e+00 -3.677771204e+00 2.22 -3.779789859e+00 -3.779789859e+00 2.24 -3.859166990e+00 -3.859166990e+00 2.26 -3.917842895e+00 -3.917842895e+00 2.28 -3.961640035e+00 -3.961640035e+00 2.30 -3.995654947e+00 -3.995654947e+00 2.32 -4.024276197e+00 -4.024276197e+00 2.34 -4.049930121e+00 -4.049930121e+00 2.36 -4.072451434e+00 -4.072451434e+00 2.38 -4.091814077e+00 -4.091814077e+00 2.40 -4.108126144e+00 -4.108126144e+00 2.42 -4.121394045e+00 -4.121394045e+00 2.44 -4.131868209e+00 -4.131868209e+00 2.46 -4.139971994e+00 -4.139971994e+00 2.48 -4.146353008e+00 -4.146353008e+00 2.50 -4.151265800e+00 -4.151265800e+00 2.52 -4.153971758e+00 -4.153971758e+00 2.54 -4.153842176e+00 -4.153842176e+00 2.56 -4.150259099e+00 -4.150259099e+00 2.58 -4.142477282e+00 -4.142477282e+00 2.60 -4.129858219e+00 -4.129858219e+00 2.62 -4.111814240e+00 -4.111814240e+00 2.64 -4.087895035e+00 -4.087895035e+00 2.66 -4.057811360e+00 -4.057811360e+00 2.68 -4.021489005e+00 -4.021489005e+00 2.70 -3.979349055e+00 -3.979349055e+00 2.72 -3.931899239e+00 -3.931899239e+00 2.74 -3.879630965e+00 -3.879630965e+00 2.76 -3.823030136e+00 -3.823030136e+00 2.78 -3.762771084e+00 -3.762771084e+00 2.80 -3.699756802e+00 -3.699756802e+00 2.82 -3.634892567e+00 -3.634892567e+00 2.84 -3.568876583e+00 -3.568876583e+00 2.86 -3.502096204e+00 -3.502096204e+00 2.88 -3.434537718e+00 -3.434537718e+00 2.90 -3.365960286e+00 -3.365960286e+00 2.92 -3.296361900e+00 -3.296361900e+00 2.94 -3.225681313e+00 -3.225681313e+00 2.96 -3.153914705e+00 -3.153914705e+00 2.98 -3.081287670e+00 -3.081287670e+00 3.00 -3.008252546e+00 -3.008252546e+00 3.02 -2.935435887e+00 -2.935435887e+00 3.04 -2.863441466e+00 -2.863441466e+00 3.06 -2.792415728e+00 -2.792415728e+00 3.08 -2.722160884e+00 -2.722160884e+00 3.10 -2.652337476e+00 -2.652337476e+00 3.12 -2.582713718e+00 -2.582713718e+00 3.14 -2.513178656e+00 -2.513178656e+00 3.16 -2.443725063e+00 -2.443725063e+00 3.18 -2.374434670e+00 -2.374434670e+00 3.20 -2.305473501e+00 -2.305473501e+00 3.22 -2.237010835e+00 -2.237010835e+00 3.24 -2.169204183e+00 -2.169204183e+00 3.26 -2.102212916e+00 -2.102212916e+00 3.28 -2.036120260e+00 -2.036120260e+00 3.30 -1.970925218e+00 -1.970925218e+00 3.32 -1.906660570e+00 -1.906660570e+00 3.34 -1.843348471e+00 -1.843348471e+00 3.36 -1.780911962e+00 -1.780911962e+00 3.38 -1.719196055e+00 -1.719196055e+00 3.40 -1.658029816e+00 -1.658029816e+00 3.42 -1.597336556e+00 -1.597336556e+00 3.44 -1.537076357e+00 -1.537076357e+00 3.46 -1.477243045e+00 -1.477243045e+00 3.48 -1.417866585e+00 -1.417866585e+00 3.50 -1.359004808e+00 -1.359004808e+00 3.52 -1.300743524e+00 -1.300743524e+00 3.54 -1.243224377e+00 -1.243224377e+00 3.56 -1.186597275e+00 -1.186597275e+00 3.58 -1.130986780e+00 -1.130986780e+00 3.60 -1.076483413e+00 -1.076483413e+00 3.62 -1.023171287e+00 -1.023171287e+00 3.64 -9.711349275e-01 -9.711349275e-01 3.66 -9.204866129e-01 -9.204866129e-01 3.68 -8.713440190e-01 -8.713440190e-01 3.70 -8.238158623e-01 -8.238158623e-01 3.72 -7.779690622e-01 -7.779690622e-01 3.74 -7.338249452e-01 -7.338249452e-01 3.76 -6.913873706e-01 -6.913873706e-01 3.78 -6.506451244e-01 -6.506451244e-01 3.80 -6.115730808e-01 -6.115730808e-01 3.82 -5.741329630e-01 -5.741329630e-01 3.84 -5.382745008e-01 -5.382745008e-01 3.86 -5.039413522e-01 -5.039413522e-01 3.88 -4.711106697e-01 -4.711106697e-01 3.90 -4.397743638e-01 -4.397743638e-01 3.92 -4.099178306e-01 -4.099178306e-01 3.94 -3.815353717e-01 -3.815353717e-01 3.96 -3.547809490e-01 -3.547809490e-01 3.98 -3.297701305e-01 -3.297701305e-01 4.00 -3.064767149e-01 -3.064767149e-01 4.02 -2.847900279e-01 -2.847900279e-01 4.04 -2.645577935e-01 -2.645577935e-01 4.06 -2.456157889e-01 -2.456157889e-01 4.08 -2.278092387e-01 -2.278092387e-01 4.10 -2.110056475e-01 -2.110056475e-01 4.12 -1.950973123e-01 -1.950973123e-01 4.14 -1.799908662e-01 -1.799908662e-01 4.16 -1.655989025e-01 -1.655989025e-01 4.18 -1.518520289e-01 -1.518520289e-01 4.20 -1.387025846e-01 -1.387025846e-01 4.22 -1.261495663e-01 -1.261495663e-01 4.24 -1.142092247e-01 -1.142092247e-01 4.26 -1.028986819e-01 -1.028986819e-01 4.28 -9.222867434e-02 -9.222867434e-02 4.30 -8.219272709e-02 -8.219272709e-02 4.32 -7.277633207e-02 -7.277633207e-02 4.34 -6.396002597e-02 -6.396002597e-02 4.36 -5.572906892e-02 -5.572906892e-02 4.38 -4.807815158e-02 -4.807815158e-02 4.40 -4.100417979e-02 -4.100417979e-02 4.42 -3.450497158e-02 -3.450497158e-02 4.44 -2.857891502e-02 -2.857891502e-02 4.46 -2.322445913e-02 -2.322445913e-02 4.48 -1.840818109e-02 -1.840818109e-02 4.50 -1.395682544e-02 -1.395682544e-02 4.52 -9.723866970e-03 -9.723866970e-03 4.54 -5.604542030e-03 -5.604542030e-03 4.56 -1.528905384e-03 -1.528905384e-03 4.58 2.542061006e-03 2.542061006e-03 4.60 6.624829380e-03 6.624829380e-03 4.62 1.072016314e-02 1.072016314e-02 4.64 1.481762175e-02 1.481762175e-02 4.66 1.889852824e-02 1.889852824e-02 4.68 2.293705412e-02 2.293705412e-02 4.70 2.690096113e-02 2.690096113e-02 4.72 3.074862255e-02 3.074862255e-02 4.74 3.443320241e-02 3.443320241e-02 4.76 3.790646573e-02 3.790646573e-02 4.78 4.113315924e-02 4.113315924e-02 4.80 4.408469881e-02 4.408469881e-02 4.82 4.671574268e-02 4.671574268e-02 4.84 4.898362437e-02 4.898362437e-02 4.86 5.085386505e-02 5.085386505e-02 4.88 5.230151919e-02 5.230151919e-02 4.90 5.331224261e-02 5.331224261e-02 4.92 5.388247305e-02 5.388247305e-02 4.94 5.401903186e-02 5.401903186e-02 4.96 5.373825187e-02 5.373825187e-02 4.98 5.306495748e-02 5.306495748e-02 5.00 5.203075591e-02 5.203075591e-02 5.02 5.066482502e-02 5.066482502e-02 5.04 4.897110349e-02 4.897110349e-02 5.06 4.695897633e-02 4.695897633e-02 5.08 4.465042673e-02 4.465042673e-02 5.10 4.207706720e-02 4.207706720e-02 5.12 3.928099972e-02 3.928099972e-02 5.14 3.631454368e-02 3.631454368e-02 5.16 3.323936087e-02 3.323936087e-02 5.18 3.012477897e-02 3.012477897e-02 5.20 2.704478560e-02 2.704478560e-02 5.22 2.407648490e-02 2.407648490e-02 5.24 2.130253571e-02 2.130253571e-02 5.26 1.879186952e-02 1.879186952e-02 5.28 1.659027326e-02 1.659027326e-02 5.30 1.471731224e-02 1.471731224e-02 5.32 1.316560199e-02 1.316560199e-02 5.34 1.190351774e-02 1.190351774e-02 5.36 1.088033119e-02 1.088033119e-02 5.38 1.003396367e-02 1.003396367e-02 5.40 9.299759259e-03 9.299759259e-03 5.42 8.619176811e-03 8.619176811e-03 5.44 7.946451181e-03 7.946451181e-03 5.46 7.252876371e-03 7.252876371e-03 5.48 6.528161745e-03 6.528161745e-03 5.50 5.779264708e-03 5.779264708e-03 5.52 5.027355667e-03 5.027355667e-03 5.54 4.295503106e-03 4.295503106e-03 5.56 3.593611166e-03 3.593611166e-03 5.58 2.932760133e-03 2.932760133e-03 5.60 2.324950906e-03 2.324950906e-03 5.62 1.781149895e-03 1.781149895e-03 5.64 1.309844324e-03 1.309844324e-03 5.66 9.161323327e-04 9.161323327e-04 5.68 6.013436147e-04 6.013436147e-04 5.70 3.628469626e-04 3.628469626e-04 5.72 1.945696416e-04 1.945696416e-04 5.74 8.711246269e-05 8.711246269e-05 5.76 2.843975022e-05 2.843975022e-05 5.78 4.572873934e-06 4.572873934e-06 5.80 1.532834817e-08 1.532834817e-08 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