# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Pascuet-M-I-Fernandez-J-R--Al # implementation = 2015--Pascuet-M-I--Al--LAMMPS--ipr1 # 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 2.191692818e+02 nan nan nan nan 0.80 nan nan nan nan nan 2.015147621e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.854946510e+02 nan nan 2.070055115e+02 nan 0.84 nan nan nan nan nan 1.709340554e+02 nan nan 1.904523198e+02 nan 0.86 nan nan nan nan nan 1.576795880e+02 nan nan 1.760645797e+02 nan 0.88 nan nan nan nan nan 1.455963695e+02 nan nan 1.637340669e+02 nan 0.90 nan 2.996395097e+02 nan nan nan 1.345654974e+02 nan nan 1.529658347e+02 2.038040280e+02 0.92 nan 2.805605985e+02 nan nan nan 1.244819020e+02 2.310424051e+02 nan 1.433888157e+02 1.886532397e+02 0.94 nan 2.641047173e+02 nan nan nan 1.152525198e+02 2.161102489e+02 nan 1.347272196e+02 1.747840081e+02 0.96 nan 2.504170860e+02 nan nan nan 1.067947388e+02 2.023344075e+02 nan 1.267782538e+02 1.620724130e+02 0.98 nan 2.386152649e+02 3.052616288e+02 nan nan 9.903506735e+01 1.895895830e+02 nan 1.193945941e+02 1.504082149e+02 1.00 nan 2.280559685e+02 2.873746139e+02 nan 2.862727885e+02 9.190799171e+01 1.780908760e+02 2.660278413e+02 1.124706592e+02 1.396931414e+02 1.02 2.664829369e+02 2.182843908e+02 2.708915479e+02 2.664871444e+02 2.664913519e+02 8.535515530e+01 1.676511090e+02 2.485289951e+02 1.059320480e+02 1.298396556e+02 1.04 2.486147903e+02 2.090320406e+02 2.557868362e+02 2.486190803e+02 2.486233703e+02 7.943971494e+01 1.581646355e+02 2.340965749e+02 9.981367556e+01 1.209424910e+02 1.06 2.343750701e+02 2.003263701e+02 2.431073134e+02 2.343794441e+02 2.343838182e+02 7.473333291e+01 1.500858356e+02 2.226003000e+02 9.454422140e+01 1.138591391e+02 1.08 2.231183214e+02 1.919772269e+02 2.323670525e+02 2.231227810e+02 2.231272406e+02 7.102086158e+01 1.431210819e+02 2.132910189e+02 8.997028746e+01 1.082668770e+02 1.10 2.139846968e+02 1.838234836e+02 2.229666999e+02 2.139892434e+02 2.139937901e+02 6.801568908e+01 1.369341053e+02 2.054796352e+02 8.588968274e+01 1.037357850e+02 1.12 2.063147977e+02 1.757682082e+02 2.144612506e+02 2.063194330e+02 2.063240683e+02 6.549801986e+01 1.312764930e+02 1.986483134e+02 8.215278652e+01 9.993616830e+01 1.14 1.996102358e+02 1.677609870e+02 2.065270231e+02 1.996149613e+02 1.996196868e+02 6.330172823e+01 1.259685179e+02 1.924152219e+02 7.865102017e+01 9.661883680e+01 1.16 1.935010474e+02 1.597842275e+02 1.989348380e+02 1.935058646e+02 1.935106819e+02 6.130349672e+01 1.208836546e+02 1.865056772e+02 7.530755183e+01 9.359881282e+01 1.18 1.877189815e+02 1.518426589e+02 1.915284042e+02 1.877238922e+02 1.877288029e+02 5.941391209e+01 1.159361652e+02 1.807286588e+02 7.206986278e+01 9.074197507e+01 1.20 1.820756495e+02 1.439553717e+02 1.842069640e+02 1.820806553e+02 1.820856610e+02 5.757018170e+01 1.110711851e+02 1.749577684e+02 6.890382383e+01 8.795413324e+01 1.22 1.764447180e+02 1.361498668e+02 1.769114277e+02 1.764498206e+02 1.764549231e+02 5.573019803e+01 1.062568464e+02 1.691158642e+02 6.578899940e+01 8.517212471e+01 1.24 1.707474885e+02 1.284576886e+02 1.696133812e+02 1.707526895e+02 1.707578904e+02 5.386773166e+01 1.014780688e+02 1.631627337e+02 6.271495470e+01 8.235660413e+01 1.26 1.649412567e+02 1.209112918e+02 1.623064194e+02 1.649465579e+02 1.649518590e+02 5.196855133e+01 9.673169466e+01 1.570852621e+02 5.967836786e+01 7.948622338e+01 1.28 1.590099828e+02 1.135418662e+02 1.549993760e+02 1.590153858e+02 1.590207889e+02 5.002731372e+01 9.202271265e+01 1.508896522e+02 5.668079364e+01 7.655296636e+01 1.30 1.529568670e+02 1.063778971e+02 1.477110916e+02 1.529623737e+02 1.529678805e+02 4.804508893e+01 8.736136091e+01 1.445953216e+02 5.372695096e+01 7.355843711e+01 1.32 1.467984829e+02 9.944428096e+01 1.404664147e+02 1.468040951e+02 1.468097074e+02 4.602740470e+01 8.276092964e+01 1.382301630e+02 5.082342654e+01 7.051092621e+01 1.34 1.405601921e+02 9.276185839e+01 1.332931960e+02 1.405659117e+02 1.405716312e+02 4.398271809e+01 7.823612507e+01 1.318269125e+02 4.797771120e+01 6.742311826e+01 1.36 1.342726013e+02 8.634725109e+01 1.262200728e+02 1.342784300e+02 1.342842587e+02 4.192123439e+01 7.380187642e+01 1.254204112e+02 4.519749821e+01 6.431032024e+01 1.38 1.279688625e+02 8.021291701e+01 1.192748784e+02 1.279748022e+02 1.279807419e+02 3.985400739e+01 6.947249113e+01 1.190455822e+02 4.249018673e+01 6.118911196e+01 1.40 1.216826581e+02 7.436735547e+01 1.124835431e+02 1.216887107e+02 1.216947633e+02 3.779226748e+01 6.526108232e+01 1.127359786e+02 3.986254543e+01 5.807633816e+01 1.42 1.154467299e+02 6.881541039e+01 1.058693772e+02 1.154528974e+02 1.154590648e+02 3.574693164e+01 6.117920569e+01 1.065227820e+02 3.732049871e+01 5.498837348e+01 1.44 1.092918459e+02 6.355863225e+01 9.945264757e+01 1.092981301e+02 1.093044143e+02 3.372825864e+01 5.723665633e+01 1.004341539e+02 3.486900640e+01 5.194060536e+01 1.46 1.032461078e+02 5.859566888e+01 9.325037620e+01 1.032525108e+02 1.032589137e+02 3.174561861e+01 5.344138530e+01 9.449485964e+01 3.251201319e+01 4.894708826e+01 1.48 9.733452814e+01 5.392266367e+01 8.727630477e+01 9.734105180e+01 9.734757547e+01 2.980735182e+01 4.979950418e+01 8.872610088e+01 3.025244908e+01 4.602033189e+01 1.50 9.157881325e+01 4.953364548e+01 8.154097888e+01 9.158545966e+01 9.159210608e+01 2.792069645e+01 4.631535260e+01 8.314550339e+01 2.809226634e+01 4.317119293e+01 1.52 8.599730253e+01 4.542089942e+01 7.605191589e+01 8.600407374e+01 8.601084495e+01 2.609176832e+01 4.299160861e+01 7.776721855e+01 2.603250103e+01 4.040884446e+01 1.54 8.060502428e+01 4.157531169e+01 7.081382914e+01 8.061192235e+01 8.061882042e+01 2.432557948e+01 3.982942698e+01 7.260210512e+01 2.407335073e+01 3.774080401e+01 1.56 7.541383519e+01 3.798668417e+01 6.582888604e+01 7.542086221e+01 7.542788924e+01 2.262608477e+01 3.682859352e+01 6.765796476e+01 2.221426119e+01 3.517300328e+01 1.58 7.043261738e+01 3.464401662e+01 6.109698321e+01 7.043977548e+01 7.044693358e+01 2.099624743e+01 3.398768620e+01 6.293981055e+01 2.045401693e+01 3.270988664e+01 1.60 6.566751381e+01 3.153575621e+01 5.661602687e+01 6.567480513e+01 6.568209645e+01 1.943811761e+01 3.130423696e+01 5.845015275e+01 1.879083217e+01 3.035452884e+01 1.62 6.112218474e+01 2.865001496e+01 5.238220847e+01 6.112961144e+01 6.113703815e+01 1.795291788e+01 2.877488896e+01 5.418928925e+01 1.722243903e+01 2.810876323e+01 1.64 5.679807370e+01 2.597475637e+01 4.839026908e+01 5.680563799e+01 5.681320228e+01 1.654113184e+01 2.639554603e+01 5.015559206e+01 1.574617125e+01 2.597331480e+01 1.66 5.269467407e+01 2.349795361e+01 4.463374859e+01 5.270237816e+01 5.271008225e+01 1.520259302e+01 2.416151224e+01 4.634578318e+01 1.435904227e+01 2.394793339e+01 1.68 4.880978826e+01 2.120772110e+01 4.110521580e+01 4.881763439e+01 4.882548051e+01 1.393657125e+01 2.206761991e+01 4.275519500e+01 1.305781672e+01 2.203152335e+01 1.70 4.513977558e+01 1.909242229e+01 3.779647869e+01 4.514776602e+01 4.515575645e+01 1.274185531e+01 2.010834560e+01 3.937801251e+01 1.183907501e+01 2.022226742e+01 1.72 4.167978509e+01 1.714075599e+01 3.469877363e+01 4.168792212e+01 4.169605916e+01 1.161683052e+01 1.827791380e+01 3.620749549e+01 1.069927104e+01 1.851774320e+01 1.74 3.842397082e+01 1.534182365e+01 3.180293369e+01 3.843225677e+01 3.844054272e+01 1.055955053e+01 1.657038847e+01 3.323617967e+01 9.634782989e+00 1.691503074e+01 1.76 3.536568892e+01 1.368518014e+01 2.909953670e+01 3.537412613e+01 3.538256333e+01 9.567802985e+00 1.497975287e+01 3.045605701e+01 8.641957491e+00 1.541081111e+01 1.78 3.249767566e+01 1.216087005e+01 2.657903392e+01 3.250626648e+01 3.251485729e+01 8.639168884e+00 1.349997842e+01 2.785873528e+01 7.717147677e+00 1.400145540e+01 1.80 2.981220654e+01 1.075945173e+01 2.423186042e+01 2.982095335e+01 2.982970017e+01 7.771075636e+00 1.212508314e+01 2.543557795e+01 6.856745342e+00 1.268310431e+01 1.82 2.730123724e+01 9.472010746e+00 2.204852880e+01 2.731014246e+01 2.731904768e+01 6.960844026e+00 1.084918017e+01 2.317782541e+01 6.057207865e+00 1.145173858e+01 1.84 2.495652690e+01 8.290164780e+00 2.001970725e+01 2.496559296e+01 2.497465902e+01 6.205729319e+00 9.666510722e+00 2.107669877e+01 5.315080215e+00 1.030324065e+01 1.86 2.276974499e+01 7.206059654e+00 1.813628385e+01 2.277897434e+01 2.278820369e+01 5.502956877e+00 8.571467279e+00 1.912348765e+01 4.627010064e+00 9.233448083e+00 1.88 2.073256276e+01 6.212346635e+00 1.638941820e+01 2.074195787e+01 2.075135298e+01 4.849752663e+00 7.558618602e+00 1.730962343e+01 3.989752428e+00 8.238199320e+00 1.90 1.883673063e+01 5.302156202e+00 1.477058194e+01 1.884629399e+01 1.885585736e+01 4.243369027e+00 6.622730260e+00 1.562673920e+01 3.400176779e+00 7.313372351e+00 1.92 1.707414273e+01 4.469081122e+00 1.327158952e+01 1.708387687e+01 1.709361101e+01 3.681106228e+00 5.758780238e+00 1.406671806e+01 2.855275050e+00 6.454916987e+00 1.94 1.543688977e+01 3.707158733e+00 1.188462028e+01 1.544679722e+01 1.545670467e+01 3.160330058e+00 4.961970138e+00 1.262173086e+01 2.352167527e+00 5.658881305e+00 1.96 1.391730163e+01 3.010851812e+00 1.060223320e+01 1.392738494e+01 1.393746825e+01 2.678486040e+00 4.227732548e+00 1.128426486e+01 1.888106791e+00 4.921432924e+00 1.98 1.250798062e+01 2.375028506e+00 9.417371038e+00 1.251824237e+01 1.252850411e+01 2.233110528e+00 3.551735064e+00 1.004714431e+01 1.460479944e+00 4.238875664e+00 2.00 1.120182670e+01 1.794941631e+00 8.323349424e+00 1.121226948e+01 1.122271225e+01 1.821839106e+00 2.929881442e+00 8.903544094e+00 1.066809340e+00 3.607662136e+00 2.02 9.992055656e+00 1.266207721e+00 7.313850459e+00 1.000268207e+01 1.001330848e+01 1.442412655e+00 2.358310353e+00 7.846997591e+00 7.047520440e-01 3.024402833e+00 2.04 8.872211051e+00 7.847838501e-01 6.382918165e+00 8.883023725e+00 8.893836400e+00 1.092681340e+00 1.833392072e+00 6.871399374e+00 3.720981906e-01 2.485872111e+00 2.06 7.836171016e+00 3.469350202e-01 5.524951557e+00 7.847172596e+00 7.858174176e+00 7.706068737e-01 1.351723528e+00 5.971003808e+00 6.676844018e-02 1.989011582e+00 2.08 6.878150577e+00 -5.079287765e-02 4.734695675e+00 6.889343720e+00 6.900536864e+00 4.742633002e-01 9.101219933e-01 5.140420163e+00 -2.131893039e-01 1.530931276e+00 2.10 5.992700185e+00 -4.115926150e-01 4.007230923e+00 6.004087564e+00 6.015474942e+00 2.018365033e-01 5.056176983e-01 4.374604907e+00 -4.696037993e-01 1.108908910e+00 2.12 5.174701223e+00 -7.384137482e-01 3.337961181e+00 5.186285522e+00 5.197869822e+00 -4.837728491e-02 1.354456453e-01 3.668851754e+00 -7.041848158e-01 7.203876395e-01 2.14 4.419358954e+00 -1.033979654e+00 2.722600913e+00 4.431142871e+00 4.442926788e+00 -2.779738339e-01 -2.029632838e-01 3.018779943e+00 -9.185278532e-01 3.629725322e-01 2.16 3.722193403e+00 -1.300803511e+00 2.157161566e+00 3.734179647e+00 3.746165891e+00 -4.884439493e-01 -5.119935549e-01 2.420321198e+00 -1.114119119e+00 3.442601165e-02 2.18 3.079028735e+00 -1.541203292e+00 1.637937550e+00 3.091220025e+00 3.103411315e+00 -6.811770122e-01 -7.938575021e-01 1.869705749e+00 -1.292340657e+00 -2.673374549e-01 2.20 2.485981351e+00 -1.757315806e+00 1.161491930e+00 2.498380415e+00 2.510779479e+00 -8.574649444e-01 -1.050605306e+00 1.363447441e+00 -1.454475582e+00 -5.442573092e-01 2.22 1.939447117e+00 -1.951109855e+00 7.246420507e-01 1.952056691e+00 1.964666265e+00 -1.018506462e+00 -1.284134352e+00 8.983223664e-01 -1.601713341e+00 -7.981332841e-01 2.24 1.436088051e+00 -2.124398523e+00 3.244452486e-01 1.448910877e+00 1.461733703e+00 -1.165411511e+00 -1.496198365e+00 4.713422389e-01 -1.735154941e+00 -1.030632064e+00 2.26 9.728185379e-01 -2.278850682e+00 -4.181529774e-02 9.858573640e-01 9.988961902e-01 -1.299205862e+00 -1.688416328e+00 7.973730461e-02 -1.855818125e+00 -1.243294173e+00 2.28 5.467876691e-01 -2.416002200e+00 -3.766469267e-01 5.600452466e-01 5.733028242e-01 -1.420836993e+00 -1.862282350e+00 -2.790591847e-01 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