# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Al # implementation = 2004--Zhou-X-W--Al--LAMMPS--ipr2 # composition = Al # 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 2.624110095e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.396239478e+02 nan 0.82 nan nan nan nan nan nan nan nan 2.190994599e+02 nan 0.84 nan nan nan nan nan nan nan nan 2.005800037e+02 nan 0.86 nan nan nan nan nan 1.570411713e+02 nan nan 1.838392308e+02 nan 0.88 nan nan nan nan nan 1.440032759e+02 nan nan 1.686764515e+02 nan 0.90 nan nan nan nan nan 1.321540100e+02 nan nan 1.549140615e+02 nan 0.92 nan nan nan nan nan 1.213848055e+02 nan nan 1.423972523e+02 nan 0.94 nan nan nan nan nan 1.115970516e+02 nan nan 1.309909821e+02 nan 0.96 nan nan nan 2.643693753e+02 2.643781927e+02 1.026910506e+02 nan nan 1.205777077e+02 1.739798618e+02 0.98 nan nan nan 2.454093623e+02 2.454049287e+02 9.456952464e+01 nan nan 1.110570271e+02 1.609274450e+02 1.00 nan 1.476883105e+02 nan 2.280028476e+02 2.279878113e+02 8.714369543e+01 1.510050819e+02 nan 1.023426078e+02 1.489584894e+02 1.02 nan 1.366802546e+02 nan 2.119995908e+02 2.119813415e+02 8.033571860e+01 1.398510826e+02 nan 9.435728740e+01 1.379530397e+02 1.04 nan 1.265593043e+02 nan 1.972656297e+02 1.972525565e+02 7.407977622e+01 1.295985476e+02 nan 8.703068279e+01 1.278180053e+02 1.06 nan 1.172416588e+02 nan 1.836779642e+02 1.836758588e+02 6.832391215e+01 1.201507466e+02 nan 8.029952655e+01 1.184832958e+02 1.08 nan 1.086564133e+02 nan 1.711264693e+02 1.711365296e+02 6.302784935e+01 1.114312132e+02 nan 7.410803884e+01 1.098878062e+02 1.10 1.594710233e+02 1.007401859e+02 1.428782876e+02 1.595169754e+02 1.595357777e+02 5.815706661e+01 1.033792236e+02 1.478099919e+02 6.840691734e+01 1.019690171e+02 1.12 1.487293509e+02 9.343308440e+01 1.330726641e+02 1.487696160e+02 1.487912142e+02 5.367771857e+01 9.594190004e+01 1.377471477e+02 6.315173589e+01 9.466318092e+01 1.14 1.387924680e+02 8.667934374e+01 1.240047508e+02 1.388143189e+02 1.388331189e+02 4.955453067e+01 8.906961237e+01 1.284376026e+02 5.830208839e+01 8.791096181e+01 1.16 1.295867774e+02 8.042985536e+01 1.156138549e+02 1.295866192e+02 1.295990056e+02 4.575187783e+01 8.271484964e+01 1.198116155e+02 5.382195368e+01 8.166048819e+01 1.18 1.210430328e+02 7.464257095e+01 1.078414747e+02 1.210253929e+02 1.210296849e+02 4.223685430e+01 7.683282133e+01 1.118057685e+02 4.968024107e+01 7.586658723e+01 1.20 1.131002827e+02 6.927998326e+01 1.006316351e+02 1.130732909e+02 1.130693010e+02 3.898141399e+01 7.138161520e+01 1.043644879e+02 4.585033121e+01 7.048886122e+01 1.22 1.057063354e+02 6.430615130e+01 9.393114636e+01 1.056782344e+02 1.056672347e+02 3.596201674e+01 6.632218448e+01 9.743989674e+01 4.230834680e+01 6.549095467e+01 1.24 9.881657326e+01 5.968708476e+01 8.769150605e+01 9.879428383e+01 9.877904489e+01 3.315806709e+01 6.161882089e+01 9.099105087e+01 3.903157592e+01 6.084143837e+01 1.26 9.239263884e+01 5.539240605e+01 8.187219447e+01 9.238102795e+01 9.236526564e+01 3.055153927e+01 5.723996493e+01 8.498275569e+01 3.599764565e+01 5.651463686e+01 1.28 8.640086863e+01 5.139577586e+01 7.644083462e+01 8.640185435e+01 8.638915084e+01 2.812717909e+01 5.315916675e+01 7.938360807e+01 3.318490640e+01 5.248986435e+01 1.30 8.081044681e+01 4.767402529e+01 7.137054480e+01 8.082275702e+01 8.081560381e+01 2.587232209e+01 4.935510560e+01 7.416404192e+01 3.057355236e+01 4.874909794e+01 1.32 7.559267639e+01 4.420678575e+01 6.663676117e+01 7.561226047e+01 7.561162950e+01 2.377588580e+01 4.581024927e+01 6.929547191e+01 2.814623927e+01 4.527413686e+01 1.34 7.072106119e+01 4.097560628e+01 6.221587942e+01 7.074197829e+01 7.074737375e+01 2.182738541e+01 4.250892663e+01 6.475026206e+01 2.588778112e+01 4.204509499e+01 1.36 6.617021990e+01 3.796289924e+01 5.808563408e+01 6.618648340e+01 6.619641877e+01 2.001655582e+01 3.943572816e+01 6.050199178e+01 2.378460240e+01 3.904083307e+01 1.38 6.191466959e+01 3.515170853e+01 5.422553484e+01 6.192247035e+01 6.193509392e+01 1.833344037e+01 3.657503501e+01 5.652590507e+01 2.182441783e+01 3.624085148e+01 1.40 5.792880136e+01 3.252664349e+01 5.061683767e+01 5.792812743e+01 5.794174841e+01 1.676874008e+01 3.391099642e+01 5.279993778e+01 1.999610340e+01 3.362693792e+01 1.42 5.418890776e+01 3.007481602e+01 4.724157685e+01 5.418324986e+01 5.419659985e+01 1.531381261e+01 3.142775729e+01 4.930555897e+01 1.828964775e+01 3.118354931e+01 1.44 5.067552449e+01 2.778566687e+01 4.408166403e+01 5.066980463e+01 5.068198297e+01 1.396029590e+01 2.910977264e+01 4.602781605e+01 1.669612622e+01 2.889747906e+01 1.46 4.737384195e+01 2.564946998e+01 4.111877261e+01 4.737203082e+01 4.738232225e+01 1.269969551e+01 2.694243080e+01 4.295421651e+01 1.520770570e+01 2.675706841e+01 1.48 4.427253220e+01 2.365605225e+01 3.833552838e+01 4.427619017e+01 4.428391714e+01 1.152347167e+01 2.491277117e+01 4.007320296e+01 1.381736872e+01 2.475170750e+01 1.50 4.136165881e+01 2.179452629e+01 3.571751870e+01 4.136995867e+01 4.137454577e+01 1.042803968e+01 2.301015421e+01 3.737316604e+01 1.251865847e+01 2.287143658e+01 1.52 3.863123085e+01 2.005392038e+01 3.325404088e+01 3.864184822e+01 3.864302497e+01 9.409949886e+00 2.122608790e+01 3.484225593e+01 1.130543094e+01 2.110701304e+01 1.54 3.607037635e+01 1.842415026e+01 3.093749718e+01 3.608071017e+01 3.607870719e+01 8.463108438e+00 1.955349916e+01 3.246870036e+01 1.017169122e+01 1.945007849e+01 1.56 3.366766003e+01 1.689652849e+01 2.876173893e+01 3.367553949e+01 3.367105465e+01 7.582647912e+00 1.798583251e+01 3.024112719e+01 9.114157949e+00 1.789347987e+01 1.58 3.141153407e+01 1.546362405e+01 2.672071937e+01 3.141551951e+01 3.140947423e+01 6.764579511e+00 1.651647690e+01 2.814874636e+01 8.131696696e+00 1.643106613e+01 1.60 2.929096976e+01 1.411885982e+01 2.480782065e+01 2.929030231e+01 2.928351761e+01 6.005506210e+00 1.513861783e+01 2.618143791e+01 7.218744935e+00 1.505747886e+01 1.62 2.729569476e+01 1.285609842e+01 2.301558244e+01 2.729022493e+01 2.728323593e+01 5.302239986e+00 1.384543773e+01 2.432991444e+01 6.370464941e+00 1.376769229e+01 1.64 2.541628500e+01 1.166960121e+01 2.133584634e+01 2.540648581e+01 2.539956425e+01 4.651540820e+00 1.263038585e+01 2.258581469e+01 5.582806019e+00 1.255671030e+01 1.66 2.364412440e+01 1.055418802e+01 1.976010285e+01 2.363116135e+01 2.362453733e+01 4.050016953e+00 1.148747321e+01 2.094172132e+01 4.852190788e+00 1.141938688e+01 1.68 2.197133804e+01 9.505565492e+00 1.827996040e+01 2.195711721e+01 2.195117133e+01 3.494169244e+00 1.041138128e+01 1.939117186e+01 4.175233136e+00 1.035050784e+01 1.70 2.039114237e+01 8.520327523e+00 1.688761868e+01 2.037796835e+01 2.037323668e+01 2.980564621e+00 9.397424925e+00 1.792865187e+01 3.548593535e+00 9.345232332e+00 1.72 1.889801179e+01 7.599414998e+00 1.557619771e+01 1.888806699e+01 1.888509854e+01 2.505923534e+00 8.443389130e+00 1.654954205e+01 2.968981823e+00 8.403277197e+00 1.74 1.748765597e+01 6.742417897e+00 1.433972785e+01 1.748243385e+01 1.748158911e+01 2.067090609e+00 7.549802785e+00 1.524987114e+01 2.433275678e+00 7.523059901e+00 1.76 1.615662188e+01 5.946123800e+00 1.317288687e+01 1.615660266e+01 1.615793496e+01 1.660855263e+00 6.712984873e+00 1.402596828e+01 1.938625124e+00 6.701125690e+00 1.78 1.490178728e+01 5.206922175e+00 1.207077873e+01 1.490648047e+01 1.490973758e+01 1.283871977e+00 5.929580870e+00 1.287412293e+01 1.482486726e+00 5.934263241e+00 1.80 1.371982923e+01 4.520837832e+00 1.102898192e+01 1.372809704e+01 1.373282006e+01 9.329624679e-01 5.196751961e+00 1.179026310e+01 1.062534797e+00 5.219241571e+00 1.82 1.260716708e+01 3.883570283e+00 1.004361274e+01 1.261751572e+01 1.262315433e+01 6.053952934e-01 4.512101704e+00 1.077000229e+01 6.764796175e-01 4.552835989e+00 1.84 1.155975201e+01 3.290685659e+00 9.111381576e+00 1.157066245e+01 1.157669173e+01 2.991289891e-01 3.873534929e+00 9.808701525e+00 3.219423653e-01 3.931876454e+00 1.86 1.057313315e+01 2.737863390e+00 8.229884483e+00 1.058329540e+01 1.058929866e+01 1.279524811e-02 3.279045416e+00 8.901717979e+00 -3.635667934e-03 3.353387572e+00 1.88 9.642559206e+00 2.221156921e+00 7.400590319e+00 9.651093116e+00 9.656812271e+00 -2.544808185e-01 2.726598048e+00 8.045986668e+00 -3.029173446e-01 2.814663454e+00 1.90 8.763303649e+00 1.737258251e+00 6.621927863e+00 8.769819970e+00 8.775131478e+00 -5.033818912e-01 2.214018639e+00 7.241567277e+00 -5.784996022e-01 2.313326475e+00 1.92 7.932846350e+00 1.283583249e+00 5.891237622e+00 7.937241663e+00 7.941917280e+00 -7.344918040e-01 1.738988245e+00 6.485066960e+00 -8.327167981e-01 1.847302302e+00 1.94 7.150780361e+00 8.582314922e-01 5.205710096e+00 7.153388473e+00 7.157396235e+00 -9.485031216e-01 1.299020254e+00 5.773391839e+00 -1.067466346e+00 1.414778714e+00 1.96 6.413777496e+00 4.598392358e-01 4.562432587e+00 6.415147968e+00 6.418495989e+00 -1.146264034e+00 8.915332553e-01 5.103931002e+00 -1.284206390e+00 1.014060949e+00 1.98 5.719165120e+00 8.737583038e-02 3.958529543e+00 5.719805825e+00 5.722469003e+00 -1.328770471e+00 5.139680053e-01 4.474381815e+00 -1.484006563e+00 6.435115718e-01 2.00 5.064740163e+00 -2.600092422e-01 3.391336938e+00 5.065032585e+00 5.067003171e+00 -1.497116381e+00 1.639337022e-01 3.882581902e+00 -1.667682740e+00 3.013611946e-01 2.02 4.448518076e+00 -5.830711133e-01 2.858588051e+00 4.448721494e+00 4.450082829e+00 -1.652321638e+00 -1.606841772e-01 3.326441598e+00 -1.835962109e+00 -1.436692151e-02 2.04 3.868568566e+00 -8.825117974e-01 2.358455093e+00 3.868903333e+00 3.869877956e+00 -1.795247211e+00 -4.616524517e-01 2.803944921e+00 -1.989583886e+00 -3.058373822e-01 2.06 3.322933716e+00 -1.159006725e+00 1.889488402e+00 3.323652599e+00 3.324596210e+00 -1.926544684e+00 -7.404059204e-01 2.313185984e+00 -2.129428910e+00 -5.753171790e-01 2.08 2.809730276e+00 -1.413231454e+00 1.450454555e+00 2.811086890e+00 2.812397165e+00 -2.046709898e+00 -9.981211891e-01 1.852435053e+00 -2.256485431e+00 -8.248880877e-01 2.10 2.327187855e+00 -1.645966340e+00 1.040149868e+00 2.329405376e+00 2.331434064e+00 -2.156195803e+00 -1.235837456e+00 1.420110472e+00 -2.371809900e+00 -1.056300530e+00 2.12 1.873718669e+00 -1.858089206e+00 6.572597341e-01 1.876902981e+00 1.879847520e+00 -2.255525814e+00 -1.454493868e+00 1.014803115e+00 -2.476439742e+00 -1.270864315e+00 2.14 1.447944939e+00 -2.050695423e+00 3.003159621e-01 1.452019162e+00 1.455862267e+00 -2.345348811e+00 -1.655017030e+00 6.352563360e-01 -2.571326472e+00 -1.469475367e+00 2.16 1.048592933e+00 -2.225100254e+00 -3.234852261e-02 1.053315487e+00 1.057834501e+00 -2.426500168e+00 -1.838359667e+00 2.803102501e-01 -2.657297818e+00 -1.652843229e+00 2.18 6.745400173e-01 -2.382788911e+00 -3.424136979e-01 6.795151673e-01 6.843230938e-01 -2.499855848e+00 -2.005506820e+00 -5.106741919e-02 -2.735073294e+00 -1.821555020e+00 2.20 3.246589032e-01 -2.525353188e+00 -6.315526438e-01 3.294199051e-01 3.340493049e-01 -2.566848520e+00 -2.157440157e+00 -3.598830305e-01 -2.805263009e+00 -1.976332298e+00 2.22 -2.213714958e-03 -2.654375410e+00 -9.013193684e-01 1.881580261e-03 5.869717131e-03 -2.630439730e+00 -2.295156468e+00 -6.471587984e-01 -2.868422692e+00 -2.118099772e+00 2.24 -3.072901897e-01 -2.771319806e+00 -1.153087649e+00 -3.042513762e-01 -3.012929737e-01 -2.690570785e+00 -2.419629368e+00 -9.139634121e-01 -2.925107004e+00 -2.247980553e+00 2.26 -5.917982030e-01 -2.877450835e+00 -1.388024559e+00 -5.900837729e-01 -5.884290409e-01 -2.746835838e+00 -2.531846844e+00 -1.161403497e+00 -2.975864771e+00 -2.367197294e+00 2.28 -8.569164438e-01 -2.973785504e+00 -1.607080188e+00 -8.566754352e-01 -8.564784525e-01 -2.798844173e+00 -2.632818495e+00 -1.390583628e+00 -3.023182599e+00 -2.476914937e+00 2.30 -1.103730927e+00 -3.061125151e+00 -1.811054042e+00 -1.105009386e+00 -1.106320189e+00 -2.846284210e+00 -2.723566840e+00 -1.602572810e+00 -3.068156681e+00 -2.578135276e+00 2.32 -1.333194812e+00 -3.140038464e+00 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