# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--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 9.206127804e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.346856566e+02 nan 0.84 nan nan nan nan nan nan nan nan 7.576581576e+02 nan 0.86 nan nan nan nan nan 5.957300905e+02 nan nan 6.884851654e+02 nan 0.88 nan nan nan nan nan 5.425949133e+02 nan nan 6.262582161e+02 nan 0.90 nan nan nan nan nan 4.947197081e+02 nan nan 5.701850172e+02 nan 0.92 nan nan nan nan nan 4.515199098e+02 nan nan 5.195762539e+02 nan 0.94 nan nan nan nan nan 4.124817336e+02 nan nan 4.738332404e+02 nan 0.96 nan nan nan nan nan 3.771511133e+02 nan nan 4.324342135e+02 nan 0.98 nan nan nan 9.297562282e+02 9.297663051e+02 3.451276287e+02 nan nan 3.949218918e+02 5.890934960e+02 1.00 nan 5.283838524e+02 nan 8.568421062e+02 8.568500015e+02 3.160598232e+02 5.457282186e+02 nan 3.608929335e+02 5.405824953e+02 1.02 nan 4.843788637e+02 nan 7.901890387e+02 7.901991561e+02 2.896397810e+02 5.008749022e+02 nan 3.299897929e+02 4.963725348e+02 1.04 nan 4.442642622e+02 nan 7.291874549e+02 7.292029923e+02 2.655971615e+02 4.599641356e+02 nan 3.018951953e+02 4.560407055e+02 1.06 nan 4.076602816e+02 nan 6.732944443e+02 6.733161675e+02 2.436946721e+02 4.226065335e+02 nan 2.763278366e+02 4.192150810e+02 1.08 nan 3.742304110e+02 nan 6.220268879e+02 6.220530333e+02 2.237235350e+02 3.884609009e+02 nan 2.530382968e+02 3.855623643e+02 1.10 nan 3.436736641e+02 5.081307729e+02 5.749557171e+02 5.749827774e+02 2.054983519e+02 3.572263021e+02 5.279982474e+02 2.318048434e+02 3.547804517e+02 1.12 5.316731585e+02 3.157194630e+02 4.691756370e+02 5.316989608e+02 5.317231603e+02 1.888525937e+02 3.286333898e+02 4.877722747e+02 2.124293581e+02 3.265965674e+02 1.14 4.919028222e+02 2.901250877e+02 4.333945694e+02 4.919145366e+02 4.919332781e+02 1.736351932e+02 3.024385770e+02 4.508025035e+02 1.947342506e+02 3.007671968e+02 1.16 4.552939992e+02 2.666732702e+02 4.005005925e+02 4.552941678e+02 4.553065737e+02 1.597085348e+02 2.784215024e+02 4.167945181e+02 1.785605730e+02 2.770759867e+02 1.18 4.215648479e+02 2.451694543e+02 3.702327426e+02 4.215590058e+02 4.215655964e+02 1.469484445e+02 2.563839771e+02 3.854839168e+02 1.637666704e+02 2.553296083e+02 1.20 3.904629792e+02 2.254389300e+02 3.423560938e+02 3.904569264e+02 3.904591865e+02 1.352445821e+02 2.361483549e+02 3.566338933e+02 1.502263323e+02 2.353538454e+02 1.22 3.617625417e+02 2.073240486e+02 3.166600380e+02 3.617606264e+02 3.617608173e+02 1.244995395e+02 2.175548540e+02 3.300323416e+02 1.378262580e+02 2.169912873e+02 1.24 3.352607506e+02 1.906825661e+02 2.929561385e+02 3.352654795e+02 3.352663482e+02 1.146269480e+02 2.004590195e+02 3.054887161e+02 1.264637409e+02 2.001003589e+02 1.26 3.107748973e+02 1.753863417e+02 2.710764454e+02 3.107869549e+02 3.107910147e+02 1.055498954e+02 1.847301699e+02 2.828311548e+02 1.160452883e+02 1.845545605e+02 1.28 2.881395275e+02 1.613195827e+02 2.508710649e+02 2.881578690e+02 2.881665866e+02 9.719979508e+01 1.702505952e+02 2.619037735e+02 1.064860342e+02 1.702408045e+02 1.30 2.672038090e+02 1.483772056e+02 2.322045021e+02 2.672261190e+02 2.672395811e+02 8.951512081e+01 1.569147746e+02 2.425643535e+02 9.770947346e+01 1.570568563e+02 1.32 2.478297821e+02 1.364640474e+02 2.149524787e+02 2.478532306e+02 2.478704044e+02 8.244005794e+01 1.446278808e+02 2.246828500e+02 8.964690095e+01 1.449088253e+02 1.34 2.298916590e+02 1.254941851e+02 1.990004978e+02 2.299134477e+02 2.299326919e+02 7.592346248e+01 1.333038335e+02 2.081406004e+02 8.223645081e+01 1.337095748e+02 1.36 2.132748982e+02 1.153896670e+02 1.842436274e+02 2.132926722e+02 2.133121984e+02 6.991825275e+01 1.228636224e+02 1.928295714e+02 7.542214853e+01 1.233784104e+02 1.38 1.978747223e+02 1.060792647e+02 1.705862560e+02 1.978871427e+02 1.979053717e+02 6.438107678e+01 1.132343995e+02 1.786514656e+02 6.915330466e+01 1.138415131e+02 1.40 1.835949310e+02 9.749786371e+01 1.579413523e+02 1.836021739e+02 1.836179517e+02 5.927219533e+01 1.043491275e+02 1.655168483e+02 6.338403405e+01 1.050321979e+02 1.42 1.703476273e+02 8.958621031e+01 1.462293997e+02 1.703512727e+02 1.703639319e+02 5.455544685e+01 9.614632688e+01 1.533444225e+02 5.807270979e+01 9.689056762e+01 1.44 1.580532275e+02 8.229036961e+01 1.353773694e+02 1.580554068e+02 1.580647034e+02 5.019805923e+01 8.856978556e+01 1.420601507e+02 5.318143313e+01 8.936273489e+01 1.46 1.466398306e+02 7.556079087e+01 1.253179583e+02 1.466422032e+02 1.466481980e+02 4.617025936e+01 8.156826478e+01 1.315962382e+02 4.867555805e+01 8.240002149e+01 1.48 1.360418402e+02 6.935151244e+01 1.159893144e+02 1.360450906e+02 1.360480602e+02 4.244490502e+01 7.509531455e+01 1.218901916e+02 4.452333819e+01 7.595815307e+01 1.50 1.261986986e+02 6.361990921e+01 1.073351950e+02 1.262026707e+02 1.262030752e+02 3.899924596e+01 6.910905247e+01 1.128842342e+02 4.069567736e+01 6.999664866e+01 1.52 1.170541127e+02 5.832687157e+01 9.930476681e+01 1.170582976e+02 1.170567944e+02 3.581587014e+01 6.357170691e+01 1.045250924e+02 3.716599857e+01 6.447837371e+01 1.54 1.085558439e+02 5.343699630e+01 9.185194541e+01 1.085597940e+02 1.085572339e+02 3.287434665e+01 5.844890392e+01 9.676384800e+01 3.391005348e+01 5.936928760e+01 1.56 1.006556244e+02 4.891848843e+01 8.493445278e+01 1.006591099e+02 1.006564617e+02 3.015586491e+01 5.370896718e+01 8.955564393e+01 3.090832557e+01 5.463818920e+01 1.58 9.330904408e+01 4.474269895e+01 7.851314116e+01 9.331200780e+01 9.331021045e+01 2.764329719e+01 4.932247945e+01 8.285926055e+01 2.814466413e+01 5.025641436e+01 1.60 8.647525741e+01 4.088354802e+01 7.255163909e+01 8.647773174e+01 8.647752293e+01 2.532100243e+01 4.526211423e+01 7.663674081e+01 2.560009397e+01 4.619745591e+01 1.62 8.011672524e+01 3.731701140e+01 6.701615358e+01 8.011878367e+01 8.012056750e+01 2.317465543e+01 4.150260405e+01 7.085313410e+01 2.325728606e+01 4.243675799e+01 1.64 7.419892349e+01 3.402082242e+01 6.187524131e+01 7.420070702e+01 7.420452642e+01 2.119102821e+01 3.802072354e+01 6.547630795e+01 2.110045406e+01 3.895158758e+01 1.66 6.869007777e+01 3.097437742e+01 5.709961766e+01 6.869184862e+01 6.869746302e+01 1.935781343e+01 3.479522098e+01 6.047673930e+01 1.911513946e+01 3.572096345e+01 1.68 6.356091330e+01 2.815869900e+01 5.266203507e+01 6.356309884e+01 6.357011873e+01 1.766350885e+01 3.180668102e+01 5.582729508e+01 1.728801644e+01 3.272556849e+01 1.70 5.878448709e+01 2.555732789e+01 4.853727616e+01 5.878763296e+01 5.879562250e+01 1.609739207e+01 2.903733093e+01 5.150305325e+01 1.560674926e+01 2.994791963e+01 1.72 5.433610220e+01 2.315877568e+01 4.470215796e+01 5.434067980e+01 5.434919624e+01 1.464952302e+01 2.647399914e+01 4.748111922e+01 1.405993291e+01 2.737599283e+01 1.74 5.019310141e+01 2.094843564e+01 4.113544646e+01 5.019930927e+01 5.020791493e+01 1.331069563e+01 2.410426311e+01 4.374040152e+01 1.263705726e+01 2.499612820e+01 1.76 4.633458706e+01 1.891207112e+01 3.781765766e+01 4.634224497e+01 4.635052104e+01 1.207235379e+01 2.191376673e+01 4.026133995e+01 1.132847077e+01 2.279416353e+01 1.78 4.274113256e+01 1.703633345e+01 3.473084696e+01 4.274971979e+01 4.275729551e+01 1.092652717e+01 1.988930580e+01 3.702566339e+01 1.012532919e+01 2.075693736e+01 1.80 3.939458527e+01 1.530870541e+01 3.185848786e+01 3.940337941e+01 3.940996007e+01 9.865853653e+00 1.801874691e+01 3.401622079e+01 9.019504490e+00 1.887218096e+01 1.82 3.627792048e+01 1.371748290e+01 2.918544255e+01 3.628615837e+01 3.629154013e+01 8.883684432e+00 1.629092864e+01 3.121686301e+01 8.003480183e+00 1.712851953e+01 1.84 3.337518799e+01 1.225177982e+01 2.669789528e+01 3.338216986e+01 3.338623667e+01 7.974120672e+00 1.469553634e+01 2.861242830e+01 7.070243572e+00 1.551551053e+01 1.86 3.067137701e+01 1.090154681e+01 2.438535024e+01 3.067656091e+01 3.067928042e+01 7.131967534e+00 1.322298680e+01 2.618876483e+01 6.213223700e+00 1.402361271e+01 1.88 2.815234085e+01 9.657603925e+00 2.223909704e+01 2.815541465e+01 2.815683511e+01 6.352608551e+00 1.186433142e+01 2.393582366e+01 5.426271784e+00 1.264411903e+01 1.90 2.580496393e+01 8.511661220e+00 2.024801987e+01 2.580589061e+01 2.580612089e+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 -9.983370460e-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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