# 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 = MnPd3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 -4.145304538e+02 nan nan 1.48 -3.644755211e+02 nan nan 1.50 -3.189516376e+02 nan nan 1.52 -2.777253372e+02 nan nan 1.54 -2.405643059e+02 nan nan 1.56 -2.072454179e+02 nan nan 1.58 -1.775418738e+02 -4.433099371e+02 nan 1.60 -1.512159292e+02 -3.943889966e+02 -5.211092099e+02 1.62 -1.280289624e+02 -3.492980363e+02 -4.688259389e+02 1.64 -1.077517225e+02 -3.078810277e+02 -4.199600137e+02 1.66 -9.015769660e+01 -2.699948717e+02 -3.744305502e+02 1.68 -7.501432123e+01 -2.354894850e+02 -3.321486124e+02 1.70 -6.208379001e+01 -2.041998251e+02 -2.930093740e+02 1.72 -5.112716344e+01 -1.759478502e+02 -2.568964928e+02 1.74 -4.190712882e+01 -1.505503886e+02 -2.236964882e+02 1.76 -3.418647340e+01 -1.278273115e+02 -1.933036559e+02 1.78 -2.772602520e+01 -1.076052059e+02 -1.656104128e+02 1.80 -2.228577340e+01 -8.971535539e+01 -1.404999858e+02 1.82 -1.763276909e+01 -7.398831960e+01 -1.178463385e+02 1.84 -1.365033701e+01 -6.025075129e+01 -9.752095204e+01 1.86 -1.029340240e+01 -4.832430049e+01 -7.940141488e+01 1.88 -7.511417462e+00 -3.802612430e+01 -6.337430057e+01 1.90 -5.250742367e+00 -2.917101770e+01 -4.932956264e+01 1.92 -3.455673660e+00 -2.157488440e+01 -3.715408645e+01 1.94 -2.069195506e+00 -1.507978706e+01 -2.672968625e+01 1.96 -1.032879196e+00 -9.605967589e+00 -1.793349179e+01 1.98 -2.870578621e-01 -5.085960947e+00 -1.063955105e+01 2.00 2.279666342e-01 -1.450066802e+00 -4.721326145e+00 2.02 5.496157566e-01 1.375419406e+00 -5.366702091e-02 2.04 6.975423477e-01 3.467115392e+00 3.486897497e+00 2.06 6.936912056e-01 4.903657670e+00 6.023154321e+00 2.08 5.611657491e-01 5.765680573e+00 7.677879321e+00 2.10 3.236656526e-01 6.135726696e+00 8.573646923e+00 2.12 4.481855852e-03 6.097546023e+00 8.833498211e+00 2.14 -3.745804606e-01 5.735454677e+00 8.582401600e+00 2.16 -7.932759761e-01 5.133945542e+00 7.947708011e+00 2.18 -1.231493382e+00 4.377236352e+00 7.057895146e+00 2.20 -1.667588652e+00 3.548697191e+00 6.040556768e+00 2.22 -2.078006403e+00 2.730222061e+00 5.020947309e+00 2.24 -2.447203647e+00 1.976131849e+00 4.082284615e+00 2.26 -2.775706523e+00 1.282028595e+00 3.218647052e+00 2.28 -3.062625078e+00 6.432815164e-01 2.422883005e+00 2.30 -3.307663707e+00 5.610363210e-02 1.689199763e+00 2.32 -3.511440840e+00 -4.833299364e-01 1.013243603e+00 2.34 -3.675985595e+00 -9.799144522e-01 3.910529895e-01 2.36 -3.804518118e+00 -1.439017451e+00 -1.809298965e-01 2.38 -3.900479532e+00 -1.864708644e+00 -7.054390145e-01 2.40 -3.967058321e+00 -2.258480483e+00 -1.184052886e+00 2.42 -4.007401417e+00 -2.619558615e+00 -1.617358762e+00 2.44 -4.024683123e+00 -2.946085416e+00 -2.005532552e+00 2.46 -4.021655445e+00 -3.236155399e+00 -2.349150774e+00 2.48 -4.000275071e+00 -3.488272142e+00 -2.650169484e+00 2.50 -3.961930201e+00 -3.701429724e+00 -2.912708957e+00 2.52 -3.907739737e+00 -3.875015422e+00 -3.142756595e+00 2.54 -3.838765845e+00 -4.009147231e+00 -3.346628413e+00 2.56 -3.756154647e+00 -4.105174155e+00 -3.528929512e+00 2.58 -3.661139634e+00 -4.165919559e+00 -3.691701571e+00 2.60 -3.554806088e+00 -4.195326810e+00 -3.834956405e+00 2.62 -3.437989376e+00 -4.197869580e+00 -3.957987692e+00 2.64 -3.311347183e+00 -4.177990644e+00 -4.060346545e+00 2.66 -3.175355219e+00 -4.139589231e+00 -4.142386521e+00 2.68 -3.030303747e+00 -4.085421976e+00 -4.205230117e+00 2.70 -2.876302102e+00 -4.016829722e+00 -4.250441376e+00 2.72 -2.713310371e+00 -3.934040603e+00 -4.279669667e+00 2.74 -2.541238813e+00 -3.836832081e+00 -4.294238144e+00 2.76 -2.360131163e+00 -3.725010623e+00 -4.294753973e+00 2.78 -2.170444790e+00 -3.598789559e+00 -4.281058796e+00 2.80 -1.973349856e+00 -3.458985384e+00 -4.252472490e+00 2.82 -1.770674915e+00 -3.306942373e+00 -4.208110045e+00 2.84 -1.565037622e+00 -3.144446427e+00 -4.147134630e+00 2.86 -1.358223806e+00 -2.973747185e+00 -4.068906437e+00 2.88 -1.149764885e+00 -2.797387081e+00 -3.973124782e+00 2.90 -9.488848810e-01 -2.617808550e+00 -3.859989746e+00 2.92 -7.384771207e-01 -2.436922236e+00 -3.730503605e+00 2.94 -5.036384720e-01 -2.255793476e+00 -3.586814011e+00 2.96 -2.760460943e-01 -2.074761902e+00 -3.432252099e+00 2.98 -2.330151683e-01 -1.893288318e+00 -3.270842297e+00 3.00 -2.338796786e-01 -1.712833679e+00 -3.106330908e+00 3.02 -2.342319269e-01 -1.517538247e+00 -2.941242665e+00 3.04 -2.343340916e-01 -1.325419303e+00 -2.776494436e+00 3.06 -2.343957510e-01 -1.230004450e+00 -2.611690579e+00 3.08 -2.346069213e-01 -1.132827884e+00 -2.445756568e+00 3.10 -2.351309086e-01 -1.033729897e+00 -2.277510818e+00 3.12 -2.361006374e-01 -9.302593967e-01 -2.105986694e+00 3.14 -2.376199498e-01 -8.275110231e-01 -1.930518703e+00 3.16 -2.397656263e-01 -7.084637736e-01 -1.750587718e+00 3.18 -2.425852867e-01 -5.587884366e-01 -1.565588809e+00 3.20 -2.461023441e-01 -4.717275968e-01 -1.374355062e+00 3.22 -2.503173797e-01 -5.041984029e-01 -1.176466896e+00 3.24 -2.552133938e-01 -5.317328629e-01 -9.673666785e-01 3.26 -2.607587540e-01 -5.544703803e-01 -7.527207536e-01 3.28 -3.403104625e-01 -5.725758714e-01 -5.116463901e-01 3.30 -4.377359471e-01 -5.862520793e-01 -2.107953469e-01 3.32 -5.362484830e-01 -5.957436147e-01 -1.339625659e-01 3.34 -6.344005306e-01 -6.013235864e-01 -1.787825587e-01 3.36 -7.294499409e-01 -6.032673275e-01 -2.213126193e-01 3.38 -8.179001712e-01 -6.018355271e-01 -2.615639276e-01 3.40 -8.975514031e-01 -5.972821690e-01 -2.995321486e-01 3.42 -9.672420470e-01 -5.898927306e-01 -3.352038369e-01 3.44 -1.027130072e+00 -5.800388662e-01 -3.685627369e-01 3.46 -1.077867503e+00 -5.682114205e-01 -3.995943853e-01 3.48 -1.120810579e+00 -5.550034275e-01 -4.282891650e-01 3.50 -1.158106981e+00 -5.410411319e-01 -4.546428027e-01 3.52 -1.192626091e+00 -5.268905295e-01 -4.786553036e-01 3.54 -1.227688554e+00 -5.129798850e-01 -5.003288641e-01 3.56 -1.266375363e+00 -4.995737888e-01 -5.196668322e-01 3.58 -1.310722798e+00 -5.617604953e-01 -5.366723392e-01 3.60 -1.361126103e+00 -6.294268175e-01 -5.513468205e-01 3.62 -1.416559631e+00 -6.853976810e-01 -5.636880929e-01 3.64 -1.474932424e+00 -7.323278972e-01 -5.736885163e-01 3.66 -1.533788391e+00 -7.770118527e-01 -5.813335543e-01 3.68 -1.590957290e+00 -8.199484021e-01 -5.866015034e-01 3.70 -1.645090771e+00 -8.599603635e-01 -5.894665452e-01 3.72 -1.695465922e+00 -8.973353943e-01 -5.899069569e-01 3.74 -1.741868388e+00 -9.325209303e-01 -5.879185595e-01 3.76 -1.784405335e+00 -1.011280486e+00 -5.835380122e-01 3.78 -1.823252471e+00 -1.140897282e+00 -5.768689018e-01 3.80 -1.858531188e+00 -1.260814788e+00 -5.681059080e-01 3.82 -1.890317282e+00 -1.367758145e+00 -5.575439173e-01 3.84 -1.918673945e+00 -1.460294696e+00 -5.455647893e-01 3.86 -1.943675596e+00 -1.539735710e+00 -5.325937835e-01 3.88 -1.965404565e+00 -1.608418859e+00 -5.190439505e-01 3.90 -1.983955299e+00 -1.668141317e+00 -5.052635253e-01 3.92 -1.999427756e+00 -1.720004677e+00 -4.915064457e-01 3.94 -2.011925900e+00 -1.764643870e+00 -5.050310274e-01 3.96 -2.021556893e+00 -1.802338630e+00 -6.620805951e-01 3.98 -2.028427085e+00 -1.833546662e+00 -8.161790169e-01 4.00 -2.032643483e+00 -1.859191372e+00 -9.560199890e-01 4.02 -2.034313109e+00 -1.880512903e+00 -1.076082582e+00 4.04 -2.033541056e+00 -1.899004299e+00 -1.181072322e+00 4.06 -2.030433415e+00 -1.916201409e+00 -1.278561401e+00 4.08 -2.025094062e+00 -1.933428297e+00 -1.373168601e+00 4.10 -2.017627297e+00 -1.951576722e+00 -1.464321926e+00 4.12 -2.008134473e+00 -1.971001176e+00 -1.550859424e+00 4.14 -1.996717946e+00 -1.991526272e+00 -1.632213424e+00 4.16 -1.983477406e+00 -2.012571286e+00 -1.708765155e+00 4.18 -1.968511199e+00 -2.033374493e+00 -1.781011800e+00 4.20 -1.951916914e+00 -2.053152810e+00 -1.849269627e+00 4.22 -1.933789197e+00 -2.071239761e+00 -1.913580512e+00 4.24 -1.914221913e+00 -2.087134845e+00 -1.973886907e+00 4.26 -1.893307074e+00 -2.100512113e+00 -2.030157233e+00 4.28 -1.871135675e+00 -2.111219170e+00 -2.082377838e+00 4.30 -1.847795772e+00 -2.119234701e+00 -2.130552266e+00 4.32 -1.823376049e+00 -2.124622664e+00 -2.174684374e+00 4.34 -1.797961811e+00 -2.127461050e+00 -2.214763464e+00 4.36 -1.771637020e+00 -2.127832343e+00 -2.250775397e+00 4.38 -1.744482199e+00 -2.125815565e+00 -2.282687459e+00 4.40 -1.716576347e+00 -2.121493911e+00 -2.310467690e+00 4.42 -1.687992968e+00 -2.114950278e+00 -2.334080953e+00 4.44 -1.658801710e+00 -2.106268072e+00 -2.353494571e+00 4.46 -1.629070650e+00 -2.095530123e+00 -2.368676604e+00 4.48 -1.598867290e+00 -2.082821218e+00 -2.379603979e+00 4.50 -1.568254842e+00 -2.068225865e+00 -2.386266572e+00 4.52 -1.537299586e+00 -2.051828277e+00 -2.388675082e+00 4.54 -1.506075340e+00 -2.033712964e+00 -2.386873884e+00 4.56 -1.474652149e+00 -2.013964460e+00 -2.380954840e+00 4.58 -1.443101158e+00 -1.992668953e+00 -2.371075234e+00 4.60 -1.411487976e+00 -1.969909263e+00 -2.357464826e+00 4.62 -1.379874349e+00 -1.945770250e+00 -2.340442180e+00 4.64 -1.348318071e+00 -1.920335862e+00 -2.320407594e+00 4.66 -1.316869791e+00 -1.893690097e+00 -2.297825231e+00 4.68 -1.285575747e+00 -1.865916813e+00 -2.273189151e+00 4.70 -1.254472774e+00 -1.837098224e+00 -2.246974254e+00 4.72 -1.223589421e+00 -1.807318237e+00 -2.219585374e+00 4.74 -1.192950875e+00 -1.776658148e+00 -2.191316048e+00 4.76 -1.162577848e+00 -1.745193946e+00 -2.162329960e+00 4.78 -1.132480806e+00 -1.712997967e+00 -2.132666190e+00 4.80 -1.102667663e+00 -1.680141381e+00 -2.102264478e+00 4.82 -1.073147882e+00 -1.646698187e+00 -2.071005370e+00 4.84 -1.043921412e+00 -1.612749762e+00 -2.038747405e+00 4.86 -1.014988481e+00 -1.578380985e+00 -2.005359673e+00 4.88 -9.863548078e-01 -1.543678598e+00 -1.970741142e+00 4.90 -9.580114910e-01 -1.508712946e+00 -1.934833386e+00 4.92 -9.299414927e-01 -1.473527466e+00 -1.897623486e+00 4.94 -9.021461234e-01 -1.438139749e+00 -1.859138922e+00 4.96 -8.746384125e-01 -1.402573875e+00 -1.819441681e+00 4.98 -8.474231003e-01 -1.366873105e+00 -1.778619880e+00 5.00 -8.204827915e-01 -1.331113632e+00 -1.736769286e+00 5.02 -7.938016843e-01 -1.295453677e+00 -1.693983822e+00 5.04 -7.673538371e-01 -1.260038377e+00 -1.650358386e+00 5.06 -7.410716894e-01 -1.224982833e+00 -1.605995312e+00 5.08 -7.149213514e-01 -1.190432197e+00 -1.561002708e+00 5.10 -6.888771077e-01 -1.156374162e+00 -1.515492104e+00 5.12 -6.628465454e-01 -1.122668408e+00 -1.469578147e+00 5.14 -6.366139670e-01 -1.089194576e+00 -1.423376970e+00 5.16 -6.099430117e-01 -1.055831743e+00 -1.377002409e+00 5.18 -5.826087707e-01 -1.022541791e+00 -1.330577112e+00 5.20 -5.543269098e-01 -9.892807651e-01 -1.284210182e+00 5.22 -5.247686991e-01 -9.561154606e-01 -1.237992195e+00 5.24 -4.936711497e-01 -9.231628576e-01 -1.192007713e+00 5.26 -4.607773432e-01 -8.905269863e-01 -1.146310414e+00 5.28 -4.258249964e-01 -8.583375267e-01 -1.100955102e+00 5.30 -3.887806483e-01 -8.267401316e-01 -1.055997221e+00 5.32 -3.498745887e-01 -7.958374584e-01 -1.011507318e+00 5.34 -3.094978002e-01 -7.656596661e-01 -9.675673056e-01 5.36 -2.683327303e-01 -7.362316988e-01 -9.242607119e-01 5.38 -2.274764491e-01 -7.075726013e-01 -8.817515398e-01 5.40 -1.880974115e-01 -6.796701918e-01 -8.402234944e-01 5.42 -1.511719481e-01 -6.524859165e-01 -7.998316398e-01 5.44 -1.176831925e-01 -6.259553076e-01 -7.607413551e-01 5.46 -8.838642781e-02 -6.000404156e-01 -7.230619929e-01 5.48 -6.367525329e-02 -5.747272288e-01 -6.869428799e-01 5.50 -4.345082988e-02 -5.499866586e-01 -6.525349576e-01 5.52 -2.757234401e-02 -5.258042860e-01 -6.198271567e-01 5.54 -1.572830615e-02 -5.021527861e-01 -5.887232237e-01 5.56 -7.446444524e-03 -4.790288271e-01 -5.591659108e-01 5.58 -2.179219703e-03 -4.564891325e-01 -5.311254902e-01 5.60 6.285631920e-04 -4.345326459e-01 -5.045387111e-01 5.62 1.493935466e-03 -4.130694353e-01 -4.793718394e-01 5.64 8.677503376e-04 -3.920499571e-01 -4.556479990e-01 5.66 -8.772576974e-04 -3.714606299e-01 -4.334014382e-01 5.68 -3.448098138e-03 -3.512829113e-01 -4.126482697e-01 5.70 -6.626945839e-03 -3.316015742e-01 -3.934186758e-01 5.72 -1.026183806e-02 -3.125730095e-01 -3.757520654e-01 5.74 -1.425254560e-02 -2.943700108e-01 -3.597155041e-01 5.76 -1.851988364e-02 -2.772544065e-01 -3.453602525e-01 5.78 -2.299023990e-02 -2.615605362e-01 -3.327121636e-01 5.80 -2.759533254e-02 -2.475579279e-01 -3.217802427e-01 5.82 -3.227163086e-02 -2.354387982e-01 -3.125553090e-01 5.84 -3.696176195e-02 -2.253053890e-01 -3.050103806e-01 5.86 -4.161566446e-02 -2.172067999e-01 -2.991012238e-01 5.88 -4.619347657e-02 -2.110909992e-01 -2.947680521e-01 5.90 -5.066335891e-02 -2.068192594e-01 -2.919351559e-01 5.92 -5.500095986e-02 -2.042011389e-01 -2.905138850e-01 5.94 -5.919112917e-02 -2.030203671e-01 -2.904035905e-01 5.96 -6.322990735e-02 -2.030553605e-01 -2.914926928e-01 5.98 -6.711869535e-02 -2.040932988e-01 -2.936603701e-01 6.00 -7.085659312e-02 -2.059338250e-01 -2.967778630e-01