# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Silva-A-C-Agren-J-Clavaguera-Mora-M-T-et-al--Al-Ni # implementation = 2007--Silva-A-C--Al-Ni--LAMMPS--ipr1 # composition = AlNi3 # 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 3.417959048e+02 nan nan 0.90 3.166188995e+02 nan nan 0.92 2.931775991e+02 nan nan 0.94 2.713565288e+02 nan nan 0.96 2.510477262e+02 3.201350136e+02 nan 0.98 2.321502584e+02 2.984781973e+02 3.467357224e+02 1.00 2.145697703e+02 2.781837909e+02 3.242611857e+02 1.02 1.982180616e+02 2.591696001e+02 3.031385499e+02 1.04 1.830126912e+02 2.413582370e+02 2.832900958e+02 1.06 1.688766072e+02 2.246768466e+02 2.646424223e+02 1.08 1.557377997e+02 2.090568479e+02 2.471262130e+02 1.10 1.435289771e+02 1.944336900e+02 2.306760152e+02 1.12 1.321872617e+02 1.807466213e+02 2.152300301e+02 1.14 1.216539061e+02 1.679384721e+02 2.007299151e+02 1.16 1.118740264e+02 1.559554489e+02 1.871205954e+02 1.18 1.027963538e+02 1.447469409e+02 1.743500867e+02 1.20 9.437300075e+01 1.342653363e+02 1.623693267e+02 1.22 8.655924287e+01 1.244658499e+02 1.511320158e+02 1.24 7.931331459e+01 1.153063601e+02 1.405944661e+02 1.26 7.259621769e+01 1.067472545e+02 1.307154586e+02 1.28 6.637154216e+01 9.875128536e+01 1.214561082e+02 1.30 6.060529845e+01 9.128343188e+01 1.127797357e+02 1.32 5.526576053e+01 8.431077135e+01 1.046517462e+02 1.34 5.032331881e+01 7.780235705e+01 9.703951489e+01 1.36 4.575034259e+01 7.172910316e+01 8.991227861e+01 1.38 4.152105124e+01 6.606367628e+01 8.324103279e+01 1.40 3.761139359e+01 6.078039301e+01 7.699843448e+01 1.42 3.399893515e+01 5.585512342e+01 7.115871030e+01 1.44 3.066275237e+01 5.126520002e+01 6.569756949e+01 1.46 2.758333384e+01 4.698933191e+01 6.059212161e+01 1.48 2.474248773e+01 4.300752382e+01 5.582079854e+01 1.50 2.212325521e+01 3.930099981e+01 5.136328088e+01 1.52 1.970982937e+01 3.585213129e+01 4.720042822e+01 1.54 1.748747944e+01 3.264436927e+01 4.331421325e+01 1.56 1.544247980e+01 2.966218042e+01 3.968765938e+01 1.58 1.356204361e+01 2.689098677e+01 3.630478178e+01 1.60 1.183426072e+01 2.431710905e+01 3.315053164e+01 1.62 1.024803952e+01 2.192771309e+01 3.021074341e+01 1.64 8.793052669e+00 1.971075951e+01 2.747208498e+01 1.66 7.459686206e+00 1.765495619e+01 2.492201057e+01 1.68 6.238992041e+00 1.574971357e+01 2.254871614e+01 1.70 5.122643491e+00 1.398510249e+01 2.034109730e+01 1.72 4.102893715e+00 1.235181452e+01 1.828870952e+01 1.74 3.172536848e+00 1.084112462e+01 1.638173052e+01 1.76 2.324871674e+00 9.444855934e+00 1.461092471e+01 1.78 1.553667649e+00 8.155346645e+00 1.296760965e+01 1.80 8.531331581e-01 6.965418806e+00 1.144362425e+01 1.82 2.178858570e-01 5.868348974e+00 1.003129889e+01 1.84 -3.570750626e-01 4.857840576e+00 8.723427045e+00 1.86 -8.763947763e-01 3.927997898e+00 7.513238577e+00 1.88 -1.344387030e+00 3.073301600e+00 6.394374470e+00 1.90 -1.765056749e+00 2.288585693e+00 5.360862994e+00 1.92 -2.142121148e+00 1.569015876e+00 4.407097197e+00 1.94 -2.479029456e+00 9.100691451e-01 3.527813649e+00 1.96 -2.778981339e+00 3.075146163e-01 2.718072376e+00 1.98 -3.044944080e+00 -2.426045046e-01 1.973237923e+00 2.00 -3.279668637e+00 -7.439878835e-01 1.288961492e+00 2.02 -3.485704623e+00 -1.200093997e+00 6.611640793e-01 2.04 -3.665414285e+00 -1.614155132e+00 8.602056193e-02 2.06 -3.820985557e+00 -1.989191482e+00 -4.400553136e-01 2.08 -3.954444223e+00 -2.328024391e+00 -9.204250884e-01 2.10 -4.067665275e+00 -2.633288807e+00 -1.358238942e+00 2.12 -4.162383509e+00 -2.907444979e+00 -1.756448281e+00 2.14 -4.240203392e+00 -3.152789453e+00 -2.117817621e+00 2.16 -4.302608273e+00 -3.371465403e+00 -2.444935780e+00 2.18 -4.350968972e+00 -3.565472330e+00 -2.740226429e+00 2.20 -4.386551772e+00 -3.736675175e+00 -3.005958036e+00 2.22 -4.410525883e+00 -3.886812874e+00 -3.244253240e+00 2.24 -4.423970385e+00 -4.017506398e+00 -3.457097687e+00 2.26 -4.427880702e+00 -4.130266295e+00 -3.646348352e+00 2.28 -4.423174628e+00 -4.226499768e+00 -3.813741374e+00 2.30 -4.410697940e+00 -4.307517324e+00 -3.960899436e+00 2.32 -4.391229627e+00 -4.374539011e+00 -4.089338727e+00 2.34 -4.365486751e+00 -4.428700268e+00 -4.200475481e+00 2.36 -4.334128980e+00 -4.471057417e+00 -4.295632145e+00 2.38 -4.297762793e+00 -4.502592812e+00 -4.376043179e+00 2.40 -4.256945406e+00 -4.524219669e+00 -4.442860512e+00 2.42 -4.212188415e+00 -4.536786590e+00 -4.497158688e+00 2.44 -4.163961183e+00 -4.541081816e+00 -4.539939693e+00 2.46 -4.112693993e+00 -4.537837203e+00 -4.572137507e+00 2.48 -4.058780978e+00 -4.527731952e+00 -4.594622377e+00 2.50 -4.002582839e+00 -4.511396105e+00 -4.608204841e+00 2.52 -3.944429378e+00 -4.489413820e+00 -4.613639510e+00 2.54 -3.884621841e+00 -4.462326437e+00 -4.611628620e+00 2.56 -3.823435103e+00 -4.430635355e+00 -4.602825378e+00 2.58 -3.761119687e+00 -4.394804718e+00 -4.587837094e+00 2.60 -3.697903649e+00 -4.355263936e+00 -4.567228137e+00 2.62 -3.633994315e+00 -4.312410042e+00 -4.541522702e+00 2.64 -3.569579900e+00 -4.266609901e+00 -4.511207417e+00 2.66 -3.504831010e+00 -4.218202270e+00 -4.476733779e+00 2.68 -3.439902025e+00 -4.167499731e+00 -4.438520455e+00 2.70 -3.374932393e+00 -4.114790501e+00 -4.396955430e+00 2.72 -3.310047826e+00 -4.060340116e+00 -4.352398034e+00 2.74 -3.245363350e+00 -4.004393012e+00 -4.305180828e+00 2.76 -3.180989199e+00 -3.947174005e+00 -4.255611393e+00 2.78 -3.116999457e+00 -3.888889662e+00 -4.203973990e+00 2.80 -3.053473637e+00 -3.829729598e+00 -4.150531127e+00 2.82 -2.990491241e+00 -3.769867673e+00 -4.095525023e+00 2.84 -2.928116059e+00 -3.709463123e+00 -4.039178986e+00 2.86 -2.866404343e+00 -3.648661603e+00 -3.981698694e+00 2.88 -2.805405449e+00 -3.587596169e+00 -3.923273405e+00 2.90 -2.745162426e+00 -3.526388192e+00 -3.864077087e+00 2.92 -2.685712560e+00 -3.465148213e+00 -3.804269470e+00 2.94 -2.627087882e+00 -3.403976733e+00 -3.743997043e+00 2.96 -2.569315626e+00 -3.342964957e+00 -3.683393974e+00 2.98 -2.512418663e+00 -3.282195488e+00 -3.622582980e+00 3.00 -2.456415891e+00 -3.221742966e+00 -3.561676136e+00 3.02 -2.401322601e+00 -3.161674671e+00 -3.500775632e+00 3.04 -2.347150811e+00 -3.102051083e+00 -3.439974486e+00 3.06 -2.293909573e+00 -3.042926395e+00 -3.379357200e+00 3.08 -2.241605255e+00 -2.984349008e+00 -3.319000381e+00 3.10 -2.190241804e+00 -2.926361973e+00 -3.258973320e+00 3.12 -2.139820983e+00 -2.869003411e+00 -3.199338530e+00 3.14 -2.090342590e+00 -2.812306906e+00 -3.140152250e+00 3.16 -2.041804662e+00 -2.756301865e+00 -3.081464913e+00 3.18 -1.994203655e+00 -2.701013855e+00 -3.023321586e+00 3.20 -1.947534617e+00 -2.646464913e+00 -2.965762378e+00 3.22 -1.901791341e+00 -2.592673838e+00 -2.908822820e+00 3.24 -1.856966506e+00 -2.539656461e+00 -2.852534222e+00 3.26 -1.813051810e+00 -2.487425893e+00 -2.796924001e+00 3.28 -1.770038082e+00 -2.435992757e+00 -2.742015989e+00 3.30 -1.727915395e+00 -2.385365402e+00 -2.687830721e+00 3.32 -1.686673164e+00 -2.335550102e+00 -2.634385701e+00 3.34 -1.646300230e+00 -2.286551241e+00 -2.581699538e+00 3.36 -1.606784951e+00 -2.238371481e+00 -2.529858962e+00 3.38 -1.568115266e+00 -2.191011923e+00 -2.479020881e+00 3.40 -1.530278771e+00 -2.144472247e+00 -2.428851440e+00 3.42 -1.493262771e+00 -2.098750854e+00 -2.379263866e+00 3.44 -1.457054343e+00 -2.053844983e+00 -2.330471125e+00 3.46 -1.421640384e+00 -2.009750831e+00 -2.282475515e+00 3.48 -1.387007650e+00 -1.966463655e+00 -2.235277856e+00 3.50 -1.353142805e+00 -1.923977871e+00 -2.188877622e+00 3.52 -1.320032452e+00 -1.882287145e+00 -2.143273073e+00 3.54 -1.287663167e+00 -1.841384473e+00 -2.098461366e+00 3.56 -1.256021529e+00 -1.801262258e+00 -2.054438665e+00 3.58 -1.225094146e+00 -1.761912382e+00 -2.011200242e+00 3.60 -1.194867677e+00 -1.723326265e+00 -1.968740565e+00 3.62 -1.165328853e+00 -1.685494931e+00 -1.927053389e+00 3.64 -1.136464497e+00 -1.648409053e+00 -1.886131828e+00 3.66 -1.108261537e+00 -1.612059010e+00 -1.845968430e+00 3.68 -1.080707024e+00 -1.576434929e+00 -1.806555244e+00 3.70 -1.053788141e+00 -1.541526724e+00 -1.767883878e+00 3.72 -1.027492215e+00 -1.507324139e+00 -1.729945558e+00 3.74 -1.001806727e+00 -1.473816776e+00 -1.692731180e+00 3.76 -9.767193177e-01 -1.440994132e+00 -1.656231353e+00 3.78 -9.522177966e-01 -1.408845623e+00 -1.620436447e+00 3.80 -9.282901461e-01 -1.377360611e+00 -1.585336627e+00 3.82 -9.049245263e-01 -1.346528427e+00 -1.550921895e+00 3.84 -8.821093969e-01 -1.316338393e+00 -1.517182121e+00 3.86 -8.606322576e-01 -1.286779842e+00 -1.484107069e+00 3.88 -8.481954268e-01 -1.257842131e+00 -1.451686431e+00 3.90 -8.695055498e-01 -1.229514659e+00 -1.419909846e+00 3.92 -9.347610720e-01 -1.201786881e+00 -1.388766926e+00 3.94 -9.150686085e-01 -1.174648320e+00 -1.358247276e+00 3.96 -8.957852971e-01 -1.148088575e+00 -1.328340509e+00 3.98 -8.769029743e-01 -1.122097337e+00 -1.299036268e+00 4.00 -8.584136191e-01 -1.096664389e+00 -1.270324236e+00 4.02 -8.403093519e-01 -1.071779622e+00 -1.242194153e+00 4.04 -8.225824350e-01 -1.047433034e+00 -1.214635825e+00 4.06 -8.052252711e-01 -1.023614742e+00 -1.187639136e+00 4.08 -7.882304029e-01 -1.000324430e+00 -1.161194057e+00 4.10 -7.715905119e-01 -9.783458556e-01 -1.135290656e+00 4.12 -7.552984169e-01 -9.607272814e-01 -1.109919102e+00 4.14 -7.393470726e-01 -9.453604866e-01 -1.085069674e+00 4.16 -7.237295684e-01 -9.235156063e-01 -1.060732766e+00 4.18 -7.084391260e-01 -9.034118827e-01 -1.036898889e+00 4.20 -6.934690983e-01 -8.837414191e-01 -1.013558680e+00 4.22 -6.782742094e-01 -8.644961685e-01 -9.907029022e-01 4.24 -6.510745390e-01 -8.456682047e-01 -9.683224469e-01 4.26 -5.701909258e-01 -8.272497226e-01 -9.464083381e-01 4.28 -3.699411998e-01 -8.092330388e-01 -9.249517333e-01 4.30 -2.462953120e-01 -7.916105914e-01 -9.039439244e-01 4.32 -2.409455609e-01 -7.743749401e-01 -8.833763393e-01 4.34 -2.357102447e-01 -7.575187653e-01 -8.632405421e-01 4.36 -2.305868905e-01 -7.410348679e-01 -8.435282334e-01 4.38 -2.255730831e-01 -7.249161684e-01 -8.242312502e-01 4.40 -2.206664639e-01 -7.091557058e-01 -8.053415658e-01 4.42 -2.158647290e-01 -6.937466367e-01 -7.868512892e-01 4.44 -2.111656278e-01 -6.786822343e-01 -7.687526642e-01 4.46 -2.065669617e-01 -6.639558865e-01 -7.510380686e-01 4.48 -2.020665827e-01 -6.495610951e-01 -7.337000132e-01 4.50 -1.976623917e-01 -6.354914739e-01 -7.167311405e-01 4.52 -1.933523377e-01 -6.217407477e-01 -7.001242232e-01 4.54 -1.891344161e-01 -6.083027501e-01 -6.838721633e-01 4.56 -1.850066678e-01 -5.951714222e-01 -6.679679896e-01 4.58 -1.809671775e-01 -5.823408108e-01 -6.524048573e-01 4.60 -1.770140733e-01 -5.698050667e-01 -6.371760453e-01 4.62 -1.731455248e-01 -5.575584430e-01 -6.222749548e-01 4.64 -1.693597424e-01 -5.455952931e-01 -6.076951079e-01 4.66 -1.656549762e-01 -5.339100693e-01 -5.934301451e-01 4.68 -1.620295150e-01 -5.224973206e-01 -5.794738240e-01 4.70 -1.584816850e-01 -5.113516910e-01 -5.658200174e-01 4.72 -1.546830023e-01 -4.998316908e-01 -5.521006024e-01 4.74 -1.464997841e-01 -4.796627784e-01 -5.333436894e-01 4.76 -1.230126577e-01 -4.243007688e-01 -4.876559793e-01 4.78 -6.881307664e-02 -2.681852003e-01 -3.308974200e-01 4.80 -1.040299986e-22 -3.490209137e-22 -2.839904012e-22 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00