# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Au # implementation = 2003--Lee-B-J--Au--LAMMPS--ipr1 # composition = Au # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 1.738716980e+03 nan nan nan nan 0.74 nan nan nan nan nan 1.622789788e+03 nan nan nan nan 0.76 nan nan nan nan nan 1.514276340e+03 nan nan 1.795481621e+03 nan 0.78 nan nan nan nan nan 1.412717301e+03 nan nan 1.665446363e+03 nan 0.80 nan nan nan nan nan 1.317681064e+03 nan nan 1.544543236e+03 nan 0.82 nan nan nan nan nan 1.228762108e+03 nan nan 1.432143856e+03 nan 0.84 nan 2.673601094e+03 nan nan nan 1.145579462e+03 1.705320084e+03 nan 1.327662430e+03 1.765167603e+03 0.86 nan 2.472230964e+03 nan nan nan 1.067775249e+03 1.588053924e+03 nan 1.230552908e+03 1.646597622e+03 0.88 nan 2.285566942e+03 nan nan nan 9.950133212e+02 1.478531307e+03 nan 1.140306316e+03 1.535664350e+03 0.90 nan 2.112560279e+03 nan nan nan 9.269779659e+02 1.376256007e+03 nan 1.056448267e+03 1.431891344e+03 0.92 nan 1.952235515e+03 2.053540674e+03 nan nan 8.633726966e+02 1.280762834e+03 2.634000671e+03 9.785366431e+02 1.334831112e+03 0.94 2.620929228e+03 1.803685444e+03 1.913350336e+03 2.620938061e+03 2.620946894e+03 8.039191072e+02 1.191615730e+03 2.454829009e+03 9.061594270e+02 1.244063393e+03 0.96 2.445973396e+03 1.666066432e+03 1.782379718e+03 2.445982240e+03 2.445991084e+03 7.483557964e+02 1.108405989e+03 2.287410829e+03 8.389326770e+02 1.159193537e+03 0.98 2.282277032e+03 1.538594033e+03 1.660039219e+03 2.282285887e+03 2.282294742e+03 6.964373531e+02 1.030750569e+03 2.130996979e+03 7.764986393e+02 1.079850977e+03 1.00 2.129136261e+03 1.420538922e+03 1.545776084e+03 2.129145126e+03 2.129153991e+03 6.479334022e+02 9.582905184e+02 1.984884887e+03 7.185239852e+02 1.005687799e+03 1.02 1.985890117e+03 1.311223085e+03 1.439072146e+03 1.985898992e+03 1.985907867e+03 6.026277058e+02 8.906894914e+02 1.848415726e+03 6.646981652e+02 9.363773864e+02 1.04 1.851917990e+03 1.210016283e+03 1.339441706e+03 1.851926874e+03 1.851935758e+03 5.603173165e+02 8.276323560e+02 1.720971753e+03 6.147318730e+02 8.716131473e+02 1.06 1.726637214e+03 1.116332744e+03 1.246429535e+03 1.726646106e+03 1.726654998e+03 5.208117815e+02 7.688238835e+02 1.601973799e+03 5.683556124e+02 8.111073164e+02 1.08 1.609500800e+03 1.029628088e+03 1.159609006e+03 1.609509700e+03 1.609518599e+03 4.839323918e+02 7.139875196e+02 1.490878920e+03 5.253183593e+02 7.545898268e+02 1.10 1.499995300e+03 9.493964553e+02 1.078580329e+03 1.500004207e+03 1.500013113e+03 4.495114768e+02 6.628642293e+02 1.387178177e+03 4.853863132e+02 7.018072478e+02 1.12 1.397638799e+03 8.751678372e+02 1.002968898e+03 1.397647712e+03 1.397656624e+03 4.173917399e+02 6.152114112e+02 1.290394559e+03 4.483417326e+02 6.525217852e+02 1.14 1.301979021e+03 8.065055816e+02 9.324237417e+02 1.301987939e+03 1.301996857e+03 3.874256330e+02 5.708018791e+02 1.200081023e+03 4.139818475e+02 6.065103404e+02 1.16 1.212591549e+03 7.430040744e+02 8.666160571e+02 1.212600472e+03 1.212609394e+03 3.594747684e+02 5.294229046e+02 1.115818656e+03 3.821178450e+02 5.635636250e+02 1.18 1.129078148e+03 6.842865755e+02 8.052378435e+02 1.129087075e+03 1.129096002e+03 3.334093645e+02 4.908753182e+02 1.037214946e+03 3.525739235e+02 5.234853274e+02 1.20 1.051065191e+03 6.300032063e+02 7.480006124e+02 1.051074122e+03 1.051083052e+03 3.091077254e+02 4.549726654e+02 9.639021577e+02 3.251864090e+02 4.860913285e+02 1.22 9.782021714e+02 5.798290720e+02 6.946341787e+02 9.782111045e+02 9.782200376e+02 2.864557505e+02 4.215404140e+02 8.955358048e+02 2.998029314e+02 4.512089643e+02 1.24 9.101603065e+02 5.334625152e+02 6.448855246e+02 9.101692415e+02 9.101781764e+02 2.653464733e+02 3.904152103e+02 8.317932155e+02 2.762816567e+02 4.186763313e+02 1.26 8.466312253e+02 4.906234872e+02 5.985177328e+02 8.466401614e+02 8.466490974e+02 2.456796275e+02 3.614441798e+02 7.723721845e+02 2.544905691e+02 3.883416338e+02 1.28 7.873257310e+02 4.510520338e+02 5.553089850e+02 7.873346673e+02 7.873436036e+02 2.273612392e+02 3.344842722e+02 7.169897065e+02 2.343068028e+02 3.600625694e+02 1.30 7.319726381e+02 4.145068826e+02 5.150516208e+02 7.319815739e+02 7.319905097e+02 2.103032429e+02 3.094016450e+02 6.653807862e+02 2.156160184e+02 3.337057512e+02 1.32 6.803176786e+02 3.807641300e+02 4.775512553e+02 6.803266130e+02 6.803355474e+02 1.944231209e+02 2.860710863e+02 6.172973204e+02 1.983118206e+02 3.091461643e+02 1.34 6.321224726e+02 3.496160171e+02 4.426259493e+02 6.321314048e+02 6.321403370e+02 1.796435634e+02 2.643754716e+02 5.725070479e+02 1.822952161e+02 2.862666548e+02 1.36 5.871635609e+02 3.208697916e+02 4.101054314e+02 5.871724901e+02 5.871814192e+02 1.658921496e+02 2.442052556e+02 5.307925642e+02 1.674741070e+02 2.649574491e+02 1.38 5.452314944e+02 2.943466473e+02 3.798303673e+02 5.452404196e+02 5.452493449e+02 1.531010476e+02 2.254579940e+02 4.919503944e+02 1.537628197e+02 2.451157017e+02 1.40 5.061299784e+02 2.698807374e+02 3.516516737e+02 5.061388988e+02 5.061478192e+02 1.412067325e+02 2.080378957e+02 4.557901241e+02 1.410816640e+02 2.266450707e+02 1.42 4.696750675e+02 2.473182568e+02 3.254298750e+02 4.696839821e+02 4.696928968e+02 1.301497205e+02 1.918554016e+02 4.221335826e+02 1.293565233e+02 2.094553178e+02 1.44 4.356944092e+02 2.265165872e+02 3.010344989e+02 4.357033172e+02 4.357122252e+02 1.198743205e+02 1.768267908e+02 3.908140763e+02 1.185184720e+02 1.934619330e+02 1.46 4.040265323e+02 2.073435022e+02 2.783435098e+02 4.040354327e+02 4.040443331e+02 1.103283991e+02 1.628738099e+02 3.616756684e+02 1.085034186e+02 1.785857817e+02 1.48 3.745201781e+02 1.896764281e+02 2.572427768e+02 3.745290700e+02 3.745379619e+02 1.014631607e+02 1.499233259e+02 3.345725039e+02 9.925177326e+01 1.647527725e+02 1.50 3.470336718e+02 1.734017551e+02 2.376255743e+02 3.470425542e+02 3.470514365e+02 9.323294049e+01 1.379070007e+02 3.093681745e+02 9.070813784e+01 1.518935455e+02 1.52 3.214343317e+02 1.584141978e+02 2.193921139e+02 3.214432035e+02 3.214520754e+02 8.559500992e+01 1.267609856e+02 2.859351241e+02 8.282101694e+01 1.399431795e+02 1.54 2.975979137e+02 1.446161996e+02 2.024491054e+02 2.976067740e+02 2.976156342e+02 7.850939418e+01 1.164256347e+02 2.641540894e+02 7.554254848e+01 1.288409162e+02 1.56 2.754080895e+02 1.319173794e+02 1.867093441e+02 2.754169372e+02 2.754257850e+02 7.193870043e+01 1.068452363e+02 2.439135759e+02 6.882825273e+01 1.185299017e+02 1.58 2.547559566e+02 1.202340164e+02 1.720913248e+02 2.547647907e+02 2.547736248e+02 6.584795661e+01 9.796776139e+01 2.251093660e+02 6.263679829e+01 1.089569434e+02 1.60 2.355395769e+02 1.094885718e+02 1.585188790e+02 2.355483963e+02 2.355572157e+02 6.020446001e+01 8.974462704e+01 2.076440572e+02 5.692978405e+01 1.000722817e+02 1.62 2.176635444e+02 9.960924370e+01 1.459208350e+02 2.176723481e+02 2.176811517e+02 5.497763502e+01 8.213047538e+01 1.914266292e+02 5.167153606e+01 9.182937537e+01 1.64 2.010385786e+02 9.052955320e+01 1.342306989e+02 2.010473653e+02 2.010561521e+02 5.013889957e+01 7.508296595e+01 1.763720378e+02 4.682891812e+01 8.418470034e+01 1.66 1.855811420e+02 8.218796021e+01 1.233863560e+02 1.855899107e+02 1.855986794e+02 4.566153973e+01 6.856258128e+01 1.624008339e+02 4.237115543e+01 7.709756026e+01 1.68 1.712130819e+02 7.452750591e+01 1.133297899e+02 1.712218315e+02 1.712305811e+02 4.152059190e+01 6.253244459e+01 1.494388058e+02 3.826967023e+01 7.052990903e+01 1.70 1.578612936e+02 6.749548077e+01 1.040068206e+02 1.578700228e+02 1.578787521e+02 3.769273233e+01 5.695814895e+01 1.374166446e+02 3.449792868e+01 6.444618395e+01 1.72 1.454574033e+02 6.104311590e+01 9.536685731e+01 1.454661111e+02 1.454748188e+02 3.415617328e+01 5.180759729e+01 1.262696297e+02 3.103129823e+01 5.881314912e+01 1.74 1.339374719e+02 5.512529650e+01 8.736266801e+01 1.339461569e+02 1.339548420e+02 3.089056567e+01 4.705085244e+01 1.159373343e+02 2.784691478e+01 5.359974847e+01 1.76 1.232417156e+02 4.970029544e+01 7.995016298e+01 1.232503766e+02 1.232590377e+02 2.787690763e+01 4.265999657e+01 1.063633494e+02 2.492355893e+01 4.877696776e+01 1.78 1.133142441e+02 4.472952603e+01 7.308819195e+01 1.133228800e+02 1.133315159e+02 2.509745874e+01 3.860899968e+01 9.749502426e+01 2.224154077e+01 4.431770510e+01 1.80 1.041028152e+02 4.017731218e+01 6.673835406e+01 1.041114246e+02 1.041200340e+02 2.253565950e+01 3.487359633e+01 8.928322461e+01 1.978259250e+01 4.019664939e+01 1.82 9.555860376e+01 3.601067520e+01 6.086481980e+01 9.556718540e+01 9.557576703e+01 2.017605588e+01 3.143117018e+01 8.168210460e+01 1.752976854e+01 3.639016632e+01 1.84 8.763598530e+01 3.219913564e+01 5.543416420e+01 8.764453786e+01 8.765309041e+01 1.800422843e+01 2.826064589e+01 7.464889395e+01 1.546735249e+01 3.287619135e+01 1.86 8.029233299e+01 2.871452948e+01 5.041521050e+01 8.030085512e+01 8.030937724e+01 1.600672586e+01 2.534238794e+01 6.814369823e+01 1.358077047e+01 2.963412939e+01 1.88 7.348782692e+01 2.553083736e+01 4.577888379e+01 7.349631726e+01 7.350480760e+01 1.417100270e+01 2.265810587e+01 6.212931175e+01 1.185651047e+01 2.664476058e+01 1.90 6.718527533e+01 2.262402628e+01 4.149807392e+01 6.719373249e+01 6.720218966e+01 1.248536090e+01 2.019076554e+01 5.657104233e+01 1.028204732e+01 2.389015204e+01 1.92 6.134994683e+01 1.997190245e+01 3.754750702e+01 6.135836941e+01 6.136679199e+01 1.093889501e+01 1.792450611e+01 5.143654713e+01 8.845772750e+00 2.135357503e+01 1.94 5.594941305e+01 1.755397499e+01 3.390362532e+01 5.595779962e+01 5.596618618e+01 9.521440802e+00 1.584456236e+01 4.669567891e+01 7.536930390e+00 1.901942732e+01 1.96 5.095340109e+01 1.535132928e+01 3.054447454e+01 5.096175018e+01 5.097009927e+01 8.223527142e+00 1.393719196e+01 4.232034207e+01 6.345555244e+00 1.687316035e+01 1.98 4.633365507e+01 1.334650962e+01 2.744959849e+01 4.634196521e+01 4.635027535e+01 7.036330845e+00 1.218960738e+01 3.828435780e+01 5.262417359e+00 1.490121100e+01 2.00 4.206380641e+01 1.152341031e+01 2.459994040e+01 4.207207609e+01 4.208034576e+01 5.951634374e+00 1.058991232e+01 3.456333794e+01 4.278969424e+00 1.309093760e+01 2.02 3.811925212e+01 9.867174670e+00 2.197775058e+01 3.812747980e+01 3.813570749e+01 4.961786209e+00 9.127042060e+00 3.113456674e+01 3.387298018e+00 1.143055999e+01 2.04 3.447704077e+01 8.364101412e+00 1.956649994e+01 3.448522490e+01 3.449340903e+01 4.059663709e+00 7.790707849e+00 2.797689033e+01 2.580078249e+00 9.909103278e+00 2.06 3.111576556e+01 7.001557831e+00 1.735079914e+01 3.112390455e+01 3.113204355e+01 3.238638329e+00 6.571344756e+00 2.507061319e+01 1.850531571e+00 8.516345239e+00 2.08 2.801546410e+01 5.767899334e+00 1.531632292e+01 2.802355635e+01 2.803164860e+01 2.492543031e+00 5.460062986e+00 2.239740129e+01 1.192386541e+00 7.242766952e+00 2.10 2.515752455e+01 4.652394858e+00 1.344973922e+01 2.516556841e+01 2.517361228e+01 1.815641775e+00 4.448602327e+00 1.994019150e+01 5.998423278e-01 6.079506603e+00 2.12 2.252459757e+01 3.645157763e+00 1.173864304e+01 2.253259139e+01 2.254058522e+01 1.202600936e+00 3.529289576e+00 1.768310679e+01 6.753477666e-02 5.018316198e+00 2.14 2.010051394e+01 2.737081790e+00 1.017149439e+01 2.010845603e+01 2.011639812e+01 6.484625560e-01 2.694998744e+00 1.561137691e+01 -4.094951407e-01 4.051521035e+00 2.16 1.787020729e+01 1.919781751e+00 8.737560404e+00 1.787809593e+01 1.788598457e+01 1.486192988e-01 1.939113864e+00 1.371126425e+01 -8.358306606e-01 3.171981744e+00 2.18 1.581964181e+01 1.185538565e+00 7.426861127e+00 1.582747524e+01 1.583530868e+01 -3.012089934e-01 1.255494225e+00 1.196999442e+01 -1.215706495e+00 2.373058754e+00 2.20 1.393574444e+01 5.272483921e-01 6.230118860e+00 1.394352091e+01 1.395129737e+01 -7.049972360e-01 6.384419104e-01 1.037569147e+01 -1.553034177e+00 1.648579028e+00 2.22 1.220634151e+01 -6.162449994e-02 5.138710795e+00 1.221405920e+01 1.222177689e+01 -1.066435629e+00 8.267145423e-02 8.917317184e+00 -1.851425614e+00 9.928049312e-01 2.24 1.062009929e+01 -5.870913415e-01 4.144624738e+00 1.062775637e+01 1.063541345e+01 -1.388948858e+00 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