# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ag # implementation = 2004--Zhou-X-W--Ag--LAMMPS--ipr2 # composition = Ag # 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 nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 9.202255668e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.343313379e+02 nan 0.84 nan nan nan nan nan nan nan nan 7.573336533e+02 nan 0.86 nan nan nan nan nan 5.954797497e+02 nan nan 6.881877408e+02 nan 0.88 nan nan nan nan nan 5.423658771e+02 nan nan 6.259854262e+02 nan 0.90 nan nan nan nan nan 4.945100575e+02 nan nan 5.699346653e+02 nan 0.92 nan nan nan nan nan 4.513279392e+02 nan nan 5.193463718e+02 nan 0.94 nan nan nan nan nan 4.123059316e+02 nan nan 4.736220733e+02 nan 0.96 nan nan nan nan nan 3.769901301e+02 nan nan 4.322401971e+02 nan 0.98 nan nan nan 9.293570898e+02 9.293671566e+02 3.449802486e+02 nan nan 3.947436268e+02 5.888322791e+02 1.00 nan 5.281427726e+02 nan 8.564708635e+02 8.564787419e+02 3.159249460e+02 5.454823919e+02 nan 3.607291632e+02 5.403408569e+02 1.02 nan 4.841558237e+02 nan 7.898435212e+02 7.898536234e+02 2.895164082e+02 5.006474072e+02 nan 3.298393817e+02 4.961489097e+02 1.04 nan 4.440578667e+02 nan 7.288656995e+02 7.288812310e+02 2.654843849e+02 4.597535493e+02 nan 3.017571118e+02 4.558336825e+02 1.06 nan 4.074692655e+02 nan 6.729946647e+02 6.730163942e+02 2.435916699e+02 4.224115499e+02 nan 2.762011419e+02 4.190234012e+02 1.08 nan 3.740536306e+02 nan 6.217474524e+02 6.217736135e+02 2.236295714e+02 3.882803353e+02 nan 2.529221354e+02 3.853849013e+02 1.10 nan 3.435100821e+02 5.078972500e+02 5.746951384e+02 5.747222164e+02 2.054127712e+02 3.570590900e+02 5.277566730e+02 2.316984354e+02 3.546161836e+02 1.12 5.314300638e+02 3.155681307e+02 4.689581664e+02 5.314558881e+02 5.314800990e+02 1.887748059e+02 3.284785731e+02 4.875472064e+02 2.123319893e+02 3.264445551e+02 1.14 4.916760372e+02 2.899851333e+02 4.331920439e+02 4.916877430e+02 4.917064848e+02 1.735646566e+02 3.022952859e+02 4.505927859e+02 1.946452641e+02 3.006265756e+02 1.16 4.550823994e+02 2.665438922e+02 4.003119874e+02 4.550825349e+02 4.550949301e+02 1.596447404e+02 2.782889415e+02 4.165990855e+02 1.784793646e+02 2.769459628e+02 1.18 4.213673925e+02 2.450499193e+02 3.700571042e+02 4.213615066e+02 4.213680790e+02 1.468909109e+02 2.562614177e+02 3.853017846e+02 1.636926875e+02 2.552094523e+02 1.20 3.902787057e+02 2.253285691e+02 3.421925380e+02 3.902726130e+02 3.902748521e+02 1.351928589e+02 2.360351288e+02 3.564641533e+02 1.501590735e+02 2.352428831e+02 1.22 3.615905642e+02 2.072222492e+02 3.165077474e+02 3.615886223e+02 3.615887946e+02 1.244532123e+02 2.174503447e+02 3.298741594e+02 1.377652694e+02 2.168888919e+02 1.24 3.351002560e+02 1.905887644e+02 2.928143595e+02 3.351049765e+02 3.351058340e+02 1.145856395e+02 2.003626530e+02 3.053413275e+02 1.264086087e+02 2.000059487e+02 1.26 3.106251410e+02 1.753000170e+02 2.709444867e+02 3.106372095e+02 3.106412687e+02 1.055132630e+02 1.846414085e+02 2.826938618e+02 1.159956322e+02 1.844676015e+02 1.28 2.879998279e+02 1.612402536e+02 2.507482973e+02 2.880181970e+02 2.880269250e+02 9.716752882e+01 1.701689368e+02 2.617759386e+02 1.064415011e+02 1.701608124e+02 1.30 2.670735402e+02 1.483044264e+02 2.320903531e+02 2.670958888e+02 2.671093695e+02 8.948694033e+01 1.568397553e+02 2.424453925e+02 9.766973517e+01 1.569833945e+02 1.32 2.477083673e+02 1.363974066e+02 2.148464231e+02 2.477318574e+02 2.477490533e+02 8.241570833e+01 1.445590766e+02 2.245722239e+02 8.961165358e+01 1.448414968e+02 1.34 2.297785669e+02 1.254333044e+02 1.989020486e+02 2.298003907e+02 2.298196552e+02 7.590270941e+01 1.332408583e+02 2.080378101e+02 8.220541333e+01 1.336480118e+02 1.36 2.131696397e+02 1.153341975e+02 1.841523316e+02 2.131874323e+02 2.132069726e+02 6.990087815e+01 1.228061232e+02 1.927341516e+02 7.539506085e+01 1.233222665e+02 1.38 1.977768434e+02 1.060288818e+02 1.705016930e+02 1.977892591e+02 1.978074930e+02 6.436687601e+01 1.131820508e+02 1.785629807e+02 6.912992566e+01 1.137904596e+02 1.40 1.835040047e+02 9.745226319e+01 1.578631330e+02 1.835112197e+02 1.835269925e+02 5.926097615e+01 1.043016272e+02 1.654348887e+02 6.336413984e+01 1.049859251e+02 1.42 1.702632485e+02 8.954510757e+01 1.461571639e+02 1.702668501e+02 1.702794955e+02 5.454702974e+01 9.610339258e+01 1.532686032e+02 5.805609187e+01 9.684878680e+01 1.44 1.579750126e+02 8.225350021e+01 1.353107806e+02 1.579771442e+02 1.579864208e+02 5.019227753e+01 8.853115220e+01 1.419901119e+02 5.316789672e+01 8.932517946e+01 1.46 1.465674206e+02 7.552790977e+01 1.252566975e+02 1.465697523e+02 1.465757240e+02 4.616695809e+01 8.153368248e+01 1.315316452e+02 4.866492079e+01 8.236644668e+01 1.48 1.359749018e+02 6.932239131e+01 1.159330763e+02 1.359781251e+02 1.359810713e+02 4.244393889e+01 7.506454811e+01 1.218307340e+02 4.451542922e+01 7.592833394e+01 1.50 1.261369237e+02 6.359433360e+01 1.072836877e+02 1.261408846e+02 1.261412681e+02 3.899924596e+01 6.908188217e+01 1.128296236e+02 4.069033678e+01 6.997037730e+01 1.52 1.169972163e+02 5.830463950e+01 9.925771476e+01 1.170014047e+02 1.169998850e+02 3.581587014e+01 6.354792950e+01 1.044750610e+02 3.716307703e+01 6.445545628e+01 1.54 1.085035615e+02 5.341791850e+01 9.180909270e+01 1.085075268e+02 1.085049566e+02 3.287434665e+01 5.842833256e+01 9.671814667e+01 3.390941163e+01 5.934954223e+01 1.56 1.006077099e+02 4.890238922e+01 8.489556420e+01 1.006112187e+02 1.006085682e+02 3.015586491e+01 5.369142979e+01 8.951404071e+01 3.090832557e+01 5.462144471e+01 1.58 9.326526776e+01 4.472941630e+01 7.847800158e+01 9.326825887e+01 9.326646806e+01 2.764329719e+01 4.930781636e+01 8.282153881e+01 2.814466413e+01 5.024250959e+01 1.60 8.643540416e+01 4.087293231e+01 7.252005159e+01 8.643790597e+01 8.643771223e+01 2.532100243e+01 4.525017587e+01 7.660269721e+01 2.560009397e+01 4.618623892e+01 1.62 8.008059304e+01 3.730892324e+01 6.698793710e+01 8.008267527e+01 8.008448088e+01 2.317465543e+01 4.149324923e+01 7.082257705e+01 2.325728606e+01 4.242808552e+01 1.64 7.416632199e+01 3.401513041e+01 6.185022778e+01 7.416812269e+01 7.417196749e+01 2.119102821e+01 3.801381838e+01 6.544905656e+01 2.110045406e+01 3.894532436e+01 1.66 6.866082696e+01 3.097095680e+01 5.707764911e+01 6.866260680e+01 6.866824658e+01 1.935781343e+01 3.479063834e+01 6.045262275e+01 1.911513946e+01 3.571698152e+01 1.68 6.353484230e+01 2.815743130e+01 5.264296136e+01 6.353702902e+01 6.354407103e+01 1.766350885e+01 3.180430018e+01 5.580615228e+01 1.728801644e+01 3.272374639e+01 1.70 5.876143359e+01 2.555732789e+01 4.852095381e+01 5.876457494e+01 5.877258110e+01 1.609739207e+01 2.903703657e+01 5.148473282e+01 1.560674926e+01 2.994791185e+01 1.72 5.431591281e+01 2.315877568e+01 4.468844999e+01 5.432048312e+01 5.432900951e+01 1.464952302e+01 2.647399914e+01 4.746547966e+01 1.405993291e+01 2.737599283e+01 1.74 5.017563233e+01 2.094843564e+01 4.112422272e+01 5.018183273e+01 5.019044139e+01 1.331069563e+01 2.410426311e+01 4.372731126e+01 1.263705726e+01 2.499612820e+01 1.76 4.631970457e+01 1.891207112e+01 3.780879497e+01 4.632735622e+01 4.633562865e+01 1.207235379e+01 2.191376673e+01 4.025067692e+01 1.132847077e+01 2.279416353e+01 1.78 4.272871282e+01 1.703633345e+01 3.472422889e+01 4.273729502e+01 4.274486112e+01 1.092652717e+01 1.988930580e+01 3.701731396e+01 1.012532919e+01 2.075693736e+01 1.80 3.938451361e+01 1.530870541e+01 3.185400443e+01 3.939330292e+01 3.939986885e+01 9.865853653e+00 1.801874691e+01 3.401007834e+01 9.019504490e+00 1.887218096e+01 1.82 3.627009012e+01 1.371748290e+01 2.918299030e+01 3.627832193e+01 3.628368487e+01 8.883684432e+00 1.629092864e+01 3.121282627e+01 8.003480183e+00 1.712851953e+01 1.84 3.336949877e+01 1.225177982e+01 2.669737750e+01 3.337647183e+01 3.338051685e+01 7.974120672e+00 1.469553634e+01 2.861040000e+01 7.070243572e+00 1.551551053e+01 1.86 3.066773373e+01 1.090154681e+01 2.438535024e+01 3.067290504e+01 3.067560098e+01 7.131967534e+00 1.322298680e+01 2.618861673e+01 6.213223700e+00 1.402361271e+01 1.88 2.815065161e+01 9.657603925e+00 2.223909704e+01 2.815370878e+01 2.815510524e+01 6.352608551e+00 1.186433142e+01 2.393582366e+01 5.426271784e+00 1.264411903e+01 1.90 2.580494702e+01 8.511661220e+00 2.024801987e+01 2.580586841e+01 2.580609270e+01 5.631866399e+00 1.061120517e+01 2.184321479e+01 4.703696420e+00 1.136905541e+01 1.92 2.362034542e+01 7.456303827e+00 1.840163717e+01 2.361933456e+01 2.361852070e+01 4.965873352e+00 9.455784323e+00 1.989942882e+01 4.040300510e+00 1.019108334e+01 1.94 2.158809398e+01 6.484903455e+00 1.669002474e+01 2.158562510e+01 2.158401300e+01 4.351005061e+00 8.390764533e+00 1.809395934e+01 3.431415720e+00 9.103401976e+00 1.96 1.969747194e+01 5.591496507e+00 1.510374786e+01 1.969414294e+01 1.969200401e+01 3.783807561e+00 7.409332276e+00 1.641721115e+01 2.872870270e+00 8.099666496e+00 1.98 1.793872536e+01 4.770661509e+00 1.363388353e+01 1.793514028e+01 1.793276054e+01 3.260969345e+00 6.505156850e+00 1.486036882e+01 2.360926758e+00 7.173903067e+00 2.00 1.630295840e+01 4.017415617e+00 1.227206394e+01 1.629964515e+01 1.629732569e+01 2.779309203e+00 5.672391186e+00 1.341528232e+01 1.892197799e+00 6.320461212e+00 2.02 1.478196761e+01 3.327142892e+00 1.101052948e+01 1.477935075e+01 1.477740981e+01 2.335810305e+00 4.905673888e+00 1.207438581e+01 1.463556290e+00 5.533960921e+00 2.04 1.336812740e+01 2.695542603e+00 9.842133760e+00 1.336652591e+01 1.336528565e+01 1.927645518e+00 4.200114053e+00 1.083065383e+01 1.072059434e+00 4.809290551e+00 2.06 1.205433037e+01 2.118583252e+00 8.760315005e+00 1.205396830e+01 1.205372091e+01 1.552202569e+00 3.551260601e+00 9.677585397e+00 7.149107581e-01 4.141647067e+00 2.08 1.083396040e+01 1.592457351e+00 7.759032739e+00 1.083496626e+01 1.083592730e+01 1.207080899e+00 2.955051738e+00 8.609166334e+00 3.894397271e-01 3.526594611e+00 2.10 9.700902008e+00 1.113540366e+00 6.832692493e+00 9.703285222e+00 9.705542689e+00 8.900657753e-01 2.407757264e+00 7.619837541e+00 9.312408896e-02 2.960141443e+00 2.12 8.649516534e+00 6.783453987e-01 5.976079250e+00 8.653157426e+00 8.656647043e+00 5.990940752e-01 1.905919180e+00 6.704431788e+00 -1.763898360e-01 2.438745114e+00 2.14 7.674606606e+00 2.835174240e-01 5.184311256e+00 7.679253534e+00 7.683755684e+00 3.322263104e-01 1.446317445e+00 5.858126455e+00 -4.212693197e-01 1.959270897e+00 2.16 6.771357142e+00 -7.418301886e-02 4.452819150e+00 6.776647113e+00 6.781814547e+00 8.763585136e-02 1.025932637e+00 5.076392246e+00 -6.434928046e-01 1.518903585e+00 2.18 5.935241729e+00 -3.978602909e-01 3.777324313e+00 5.940749976e+00 5.946160098e+00 -1.363976625e-01 6.419256180e-01 4.354940764e+00 -8.448594935e-01 1.115023269e+00 2.20 5.161970358e+00 -6.904494212e-01 3.153865783e+00 5.167258080e+00 5.172470526e+00 -3.414560688e-01 2.916285829e-01 3.689700164e+00 -1.027010664e+00 7.451352883e-01 2.22 4.447409294e+00 -9.546829903e-01 2.578786545e+00 4.452080054e+00 4.456694659e+00 -5.289764367e-01 -2.745514681e-02 3.076776525e+00 -1.191446859e+00 4.067908501e-01 2.24 3.787557942e+00 -1.193057610e+00 2.048735236e+00 3.791301703e+00 3.795002920e+00 -7.002372557e-01 -3.176659177e-01 2.512448895e+00 -1.339551886e+00 9.757812910e-02 2.26 3.178559822e+00 -1.407815684e+00 1.560651630e+00 3.181172653e+00 3.183754721e+00 -8.563621310e-01 -5.811951521e-01 1.993184256e+00 -1.472610812e+00 -1.848462676e-01 2.28 2.616744120e+00 -1.600945556e+00 1.111741712e+00 2.618136836e+00 2.619507462e+00 -9.983370355e-01 -8.201081066e-01 1.515666851e+00 -1.591810009e+00 -4.426970926e-01 2.30 2.098676170e+00 -1.774197498e+00 6.994488072e-01 2.098857208e+00 2.099022448e+00 -1.127373881e+00 -1.036355610e+00 1.076825478e+00 -1.698239477e+00 -6.779983301e-01 2.32 1.621189520e+00 -1.929119196e+00 3.214101371e-01 1.620239992e+00 1.619279186e+00 -1.244244787e+00 -1.231776828e+00 6.738414430e-01 -1.792887596e+00 -8.925538138e-01 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