# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # composition = AlMnPd2 # 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 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan nan 1.72 nan nan 1.74 -3.687387635e+01 -3.687387635e+01 1.76 -2.818727757e+01 -2.818727757e+01 1.78 -2.095205870e+01 -2.095205870e+01 1.80 -1.502889523e+01 -1.502889523e+01 1.82 -1.027898419e+01 -1.027898419e+01 1.84 -6.561488881e+00 -6.561488881e+00 1.86 -3.732319811e+00 -3.732319811e+00 1.88 -1.644251368e+00 -1.644251368e+00 1.90 -1.483954911e-01 -1.483954911e-01 1.92 9.045245759e-01 9.045245759e-01 1.94 1.643180476e+00 1.643180476e+00 1.96 2.136921421e+00 2.136921421e+00 1.98 2.449112885e+00 2.449112885e+00 2.00 2.632252063e+00 2.632252063e+00 2.02 2.694152101e+00 2.694152101e+00 2.04 2.639565766e+00 2.639565766e+00 2.06 2.476683276e+00 2.476683276e+00 2.08 2.216841311e+00 2.216841311e+00 2.10 1.873266655e+00 1.873266655e+00 2.12 1.460706921e+00 1.460706921e+00 2.14 9.952956040e-01 9.952956040e-01 2.16 4.945766063e-01 4.945766063e-01 2.18 -2.254531382e-02 -2.254531382e-02 2.20 -5.364499889e-01 -5.364499889e-01 2.22 -1.028048626e+00 -1.028048626e+00 2.24 -1.481315700e+00 -1.481315700e+00 2.26 -1.895670113e+00 -1.895670113e+00 2.28 -2.275472589e+00 -2.275472589e+00 2.30 -2.624284242e+00 -2.624284242e+00 2.32 -2.945175888e+00 -2.945175888e+00 2.34 -3.241043772e+00 -3.241043772e+00 2.36 -3.514522274e+00 -3.514522274e+00 2.38 -3.767471708e+00 -3.767471708e+00 2.40 -4.000434660e+00 -4.000434660e+00 2.42 -4.212759321e+00 -4.212759321e+00 2.44 -4.403209081e+00 -4.403209081e+00 2.46 -4.570557740e+00 -4.570557740e+00 2.48 -4.713858411e+00 -4.713858411e+00 2.50 -4.832650179e+00 -4.832650179e+00 2.52 -4.927053416e+00 -4.927053416e+00 2.54 -4.998084055e+00 -4.998084055e+00 2.56 -5.047847700e+00 -5.047847700e+00 2.58 -5.079132926e+00 -5.079132926e+00 2.60 -5.094468055e+00 -5.094468055e+00 2.62 -5.095268486e+00 -5.095268486e+00 2.64 -5.081878579e+00 -5.081878579e+00 2.66 -5.054281990e+00 -5.054281990e+00 2.68 -5.012748255e+00 -5.012748255e+00 2.70 -4.958026488e+00 -4.958026488e+00 2.72 -4.891151646e+00 -4.891151646e+00 2.74 -4.813238370e+00 -4.813238370e+00 2.76 -4.725221257e+00 -4.725221257e+00 2.78 -4.627874938e+00 -4.627874938e+00 2.80 -4.521978935e+00 -4.521978935e+00 2.82 -4.408439204e+00 -4.408439204e+00 2.84 -4.288385269e+00 -4.288385269e+00 2.86 -4.163180774e+00 -4.163180774e+00 2.88 -4.034331930e+00 -4.034331930e+00 2.90 -3.903286908e+00 -3.903286908e+00 2.92 -3.771225729e+00 -3.771225729e+00 2.94 -3.638974227e+00 -3.638974227e+00 2.96 -3.507057375e+00 -3.507057375e+00 2.98 -3.375853208e+00 -3.375853208e+00 3.00 -3.245683842e+00 -3.245683842e+00 3.02 -3.117025812e+00 -3.117025812e+00 3.04 -2.989963244e+00 -2.989963244e+00 3.06 -2.865755184e+00 -2.865755184e+00 3.08 -2.744524680e+00 -2.744524680e+00 3.10 -2.623875360e+00 -2.623875360e+00 3.12 -2.507239359e+00 -2.507239359e+00 3.14 -2.399918147e+00 -2.399918147e+00 3.16 -2.298561668e+00 -2.298561668e+00 3.18 -2.195147840e+00 -2.195147840e+00 3.20 -2.086846477e+00 -2.086846477e+00 3.22 -1.976096060e+00 -1.976096060e+00 3.24 -1.866819617e+00 -1.866819617e+00 3.26 -1.762662804e+00 -1.762662804e+00 3.28 -1.665149023e+00 -1.665149023e+00 3.30 -1.575371325e+00 -1.575371325e+00 3.32 -1.493092238e+00 -1.493092238e+00 3.34 -1.418732093e+00 -1.418732093e+00 3.36 -1.367775268e+00 -1.367775268e+00 3.38 -1.342999294e+00 -1.342999294e+00 3.40 -1.325929506e+00 -1.325929506e+00 3.42 -1.315427809e+00 -1.315427809e+00 3.44 -1.310348351e+00 -1.310348351e+00 3.46 -1.309776056e+00 -1.309776056e+00 3.48 -1.313135977e+00 -1.313135977e+00 3.50 -1.320169064e+00 -1.320169064e+00 3.52 -1.330806597e+00 -1.330806597e+00 3.54 -1.371463207e+00 -1.371463207e+00 3.56 -1.473239546e+00 -1.473239546e+00 3.58 -1.580294243e+00 -1.580294243e+00 3.60 -1.674791501e+00 -1.674791501e+00 3.62 -1.744901802e+00 -1.744901802e+00 3.64 -1.798038121e+00 -1.798038121e+00 3.66 -1.849045696e+00 -1.849045696e+00 3.68 -1.904150329e+00 -1.904150329e+00 3.70 -1.959306506e+00 -1.959306506e+00 3.72 -2.011087802e+00 -2.011087802e+00 3.74 -2.059625484e+00 -2.059625484e+00 3.76 -2.105949207e+00 -2.105949207e+00 3.78 -2.150235493e+00 -2.150235493e+00 3.80 -2.191935239e+00 -2.191935239e+00 3.82 -2.230578588e+00 -2.230578588e+00 3.84 -2.265924882e+00 -2.265924882e+00 3.86 -2.297801233e+00 -2.297801233e+00 3.88 -2.326015210e+00 -2.326015210e+00 3.90 -2.350359340e+00 -2.350359340e+00 3.92 -2.370689776e+00 -2.370689776e+00 3.94 -2.386967343e+00 -2.386967343e+00 3.96 -2.399293099e+00 -2.399293099e+00 3.98 -2.407945054e+00 -2.407945054e+00 4.00 -2.413405763e+00 -2.413405763e+00 4.02 -2.416356514e+00 -2.416356514e+00 4.04 -2.417633939e+00 -2.417633939e+00 4.06 -2.418124610e+00 -2.418124610e+00 4.08 -2.418624285e+00 -2.418624285e+00 4.10 -2.419700123e+00 -2.419700123e+00 4.12 -2.421607731e+00 -2.421607731e+00 4.14 -2.424286468e+00 -2.424286468e+00 4.16 -2.427428346e+00 -2.427428346e+00 4.18 -2.430589928e+00 -2.430589928e+00 4.20 -2.433298304e+00 -2.433298304e+00 4.22 -2.435132887e+00 -2.435132887e+00 4.24 -2.435771052e+00 -2.435771052e+00 4.26 -2.435001656e+00 -2.435001656e+00 4.28 -2.432718529e+00 -2.432718529e+00 4.30 -2.428901908e+00 -2.428901908e+00 4.32 -2.423584748e+00 -2.423584748e+00 4.34 -2.416808072e+00 -2.416808072e+00 4.36 -2.408615392e+00 -2.408615392e+00 4.38 -2.399048179e+00 -2.399048179e+00 4.40 -2.388149522e+00 -2.388149522e+00 4.42 -2.375962864e+00 -2.375962864e+00 4.44 -2.362531287e+00 -2.362531287e+00 4.46 -2.347897265e+00 -2.347897265e+00 4.48 -2.332104253e+00 -2.332104253e+00 4.50 -2.315194236e+00 -2.315194236e+00 4.52 -2.297208375e+00 -2.297208375e+00 4.54 -2.278188952e+00 -2.278188952e+00 4.56 -2.258176255e+00 -2.258176255e+00 4.58 -2.237211258e+00 -2.237211258e+00 4.60 -2.215331028e+00 -2.215331028e+00 4.62 -2.192572317e+00 -2.192572317e+00 4.64 -2.168970784e+00 -2.168970784e+00 4.66 -2.144561283e+00 -2.144561283e+00 4.68 -2.119381502e+00 -2.119381502e+00 4.70 -2.093469167e+00 -2.093469167e+00 4.72 -2.066864133e+00 -2.066864133e+00 4.74 -2.039603741e+00 -2.039603741e+00 4.76 -2.011706948e+00 -2.011706948e+00 4.78 -1.983181232e+00 -1.983181232e+00 4.80 -1.954034513e+00 -1.954034513e+00 4.82 -1.924287639e+00 -1.924287639e+00 4.84 -1.894017381e+00 -1.894017381e+00 4.86 -1.863320258e+00 -1.863320258e+00 4.88 -1.832309649e+00 -1.832309649e+00 4.90 -1.801020310e+00 -1.801020310e+00 4.92 -1.769362396e+00 -1.769362396e+00 4.94 -1.737120337e+00 -1.737120337e+00 4.96 -1.704113207e+00 -1.704113207e+00 4.98 -1.670261483e+00 -1.670261483e+00 5.00 -1.635668543e+00 -1.635668543e+00 5.02 -1.600902173e+00 -1.600902173e+00 5.04 -1.566460296e+00 -1.566460296e+00 5.06 -1.532695747e+00 -1.532695747e+00 5.08 -1.500107420e+00 -1.500107420e+00 5.10 -1.468425826e+00 -1.468425826e+00 5.12 -1.436763284e+00 -1.436763284e+00 5.14 -1.404335993e+00 -1.404335993e+00 5.16 -1.370357530e+00 -1.370357530e+00 5.18 -1.334455277e+00 -1.334455277e+00 5.20 -1.296290992e+00 -1.296290992e+00 5.22 -1.256038353e+00 -1.256038353e+00 5.24 -1.214119792e+00 -1.214119792e+00 5.26 -1.170940795e+00 -1.170940795e+00 5.28 -1.127076193e+00 -1.127076193e+00 5.30 -1.083211106e+00 -1.083211106e+00 5.32 -1.039862849e+00 -1.039862849e+00 5.34 -9.972795762e-01 -9.972795762e-01 5.36 -9.557166218e-01 -9.557166218e-01 5.38 -9.153923594e-01 -9.153923594e-01 5.40 -8.764147593e-01 -8.764147593e-01 5.42 -8.388142657e-01 -8.388142657e-01 5.44 -8.024552002e-01 -8.024552002e-01 5.46 -7.672028086e-01 -7.672028086e-01 5.48 -7.330152973e-01 -7.330152973e-01 5.50 -6.998137086e-01 -6.998137086e-01 5.52 -6.675121982e-01 -6.675121982e-01 5.54 -6.360098542e-01 -6.360098542e-01 5.56 -6.052776463e-01 -6.052776463e-01 5.58 -5.753345395e-01 -5.753345395e-01 5.60 -5.462188135e-01 -5.462188135e-01 5.62 -5.180086824e-01 -5.180086824e-01 5.64 -4.908178228e-01 -4.908178228e-01 5.66 -4.648631509e-01 -4.648631509e-01 5.68 -4.401397251e-01 -4.401397251e-01 5.70 -4.165687695e-01 -4.165687695e-01 5.72 -3.941159904e-01 -3.941159904e-01 5.74 -3.727124342e-01 -3.727124342e-01 5.76 -3.524237712e-01 -3.524237712e-01 5.78 -3.332992135e-01 -3.332992135e-01 5.80 -3.154297955e-01 -3.154297955e-01 5.82 -2.990222461e-01 -2.990222461e-01 5.84 -2.842125579e-01 -2.842125579e-01 5.86 -2.711087155e-01 -2.711087155e-01 5.88 -2.597398461e-01 -2.597398461e-01 5.90 -2.500886632e-01 -2.500886632e-01 5.92 -2.420554239e-01 -2.420554239e-01 5.94 -2.354872068e-01 -2.354872068e-01 5.96 -2.301760849e-01 -2.301760849e-01 5.98 -2.259356343e-01 -2.259356343e-01 6.00 -2.226116338e-01 -2.226116338e-01