# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Pascuet-M-I-Fernandez-J-R--Al-U # implementation = 2015--Pascuet-M-I--Al-U--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 2.191686481e+02 nan nan nan nan 0.80 nan nan nan nan nan 2.015141253e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.854940111e+02 nan nan 2.070054328e+02 nan 0.84 nan nan nan nan nan 1.709334126e+02 nan nan 1.904522410e+02 nan 0.86 nan nan nan nan nan 1.576789425e+02 nan nan 1.760645008e+02 nan 0.88 nan nan nan nan nan 1.455957213e+02 nan nan 1.637339880e+02 nan 0.90 nan 2.996395034e+02 nan nan nan 1.345648466e+02 nan nan 1.529657558e+02 2.038040280e+02 0.92 nan 2.805605921e+02 nan nan nan 1.244812487e+02 2.310423817e+02 nan 1.433887368e+02 1.886532397e+02 0.94 nan 2.641047110e+02 nan nan nan 1.152518642e+02 2.161102257e+02 nan 1.347271407e+02 1.747840081e+02 0.96 nan 2.504170796e+02 nan nan nan 1.067940810e+02 2.023343845e+02 nan 1.267781748e+02 1.620724130e+02 0.98 nan 2.386152585e+02 3.052616288e+02 nan nan 9.903440744e+01 1.895895602e+02 nan 1.193945151e+02 1.504082149e+02 1.00 nan 2.280559621e+02 2.873746139e+02 nan 2.862727432e+02 9.190732986e+01 1.780908533e+02 2.660278413e+02 1.124705802e+02 1.396931414e+02 1.02 2.664829369e+02 2.182843844e+02 2.708915479e+02 2.664871216e+02 2.664913062e+02 8.535449164e+01 1.676510865e+02 2.485289951e+02 1.059319688e+02 1.298396556e+02 1.04 2.486147903e+02 2.090320342e+02 2.557868362e+02 2.486190572e+02 2.486233242e+02 7.943904962e+01 1.581646132e+02 2.340965749e+02 9.981359629e+01 1.209424910e+02 1.06 2.343750701e+02 2.003263637e+02 2.431073134e+02 2.343794209e+02 2.343837717e+02 7.473266607e+01 1.500858135e+02 2.226003000e+02 9.454414200e+01 1.138591391e+02 1.08 2.231183214e+02 1.919772205e+02 2.323670525e+02 2.231227576e+02 2.231271937e+02 7.102019336e+01 1.431210600e+02 2.132910189e+02 8.997020789e+01 1.082668770e+02 1.10 2.139846968e+02 1.838234773e+02 2.229666999e+02 2.139892198e+02 2.139937428e+02 6.801501963e+01 1.369340837e+02 2.054796352e+02 8.588960298e+01 1.037357850e+02 1.12 2.063147977e+02 1.757682019e+02 2.144612506e+02 2.063194092e+02 2.063240207e+02 6.549734933e+01 1.312764716e+02 1.986483134e+02 8.215270653e+01 9.993616830e+01 1.14 1.996102358e+02 1.677609807e+02 2.065270231e+02 1.996149373e+02 1.996196388e+02 6.330105678e+01 1.259684969e+02 1.924152219e+02 7.865093994e+01 9.661883680e+01 1.16 1.935010474e+02 1.597842213e+02 1.989348380e+02 1.935058404e+02 1.935106335e+02 6.130282451e+01 1.208836339e+02 1.865056772e+02 7.530747133e+01 9.359881282e+01 1.18 1.877189815e+02 1.518426528e+02 1.915284042e+02 1.877238678e+02 1.877287542e+02 5.941323927e+01 1.159361449e+02 1.807286588e+02 7.206978198e+01 9.074197507e+01 1.20 1.820756495e+02 1.439553656e+02 1.842069640e+02 1.820806307e+02 1.820856120e+02 5.756950845e+01 1.110711651e+02 1.749577684e+02 6.890374272e+01 8.795413324e+01 1.22 1.764447180e+02 1.361498609e+02 1.769114277e+02 1.764497958e+02 1.764548737e+02 5.572952450e+01 1.062568268e+02 1.691158642e+02 6.578891794e+01 8.517212471e+01 1.24 1.707474885e+02 1.284576828e+02 1.696133812e+02 1.707526646e+02 1.707578407e+02 5.386705802e+01 1.014780497e+02 1.631627337e+02 6.271487289e+01 8.235660413e+01 1.26 1.649412567e+02 1.209112860e+02 1.623064194e+02 1.649465328e+02 1.649518089e+02 5.196787775e+01 9.673167603e+01 1.570852621e+02 5.967828567e+01 7.948622338e+01 1.28 1.590099828e+02 1.135418606e+02 1.549993760e+02 1.590153606e+02 1.590207385e+02 5.002664038e+01 9.202269455e+01 1.508896522e+02 5.668071106e+01 7.655296636e+01 1.30 1.529568670e+02 1.063778916e+02 1.477110916e+02 1.529623484e+02 1.529678297e+02 4.804441600e+01 8.736134337e+01 1.445953216e+02 5.372686798e+01 7.355843711e+01 1.32 1.467984829e+02 9.944427561e+01 1.404664147e+02 1.468040696e+02 1.468096563e+02 4.602673236e+01 8.276091271e+01 1.382301630e+02 5.082334314e+01 7.051092621e+01 1.34 1.405601921e+02 9.276185320e+01 1.332931960e+02 1.405658860e+02 1.405715799e+02 4.398204652e+01 7.823610880e+01 1.318269125e+02 4.797762738e+01 6.742311826e+01 1.36 1.342726013e+02 8.634724607e+01 1.262200728e+02 1.342784041e+02 1.342842070e+02 4.192056377e+01 7.380186084e+01 1.254204112e+02 4.519741394e+01 6.431032024e+01 1.38 1.279688625e+02 8.021291218e+01 1.192748784e+02 1.279747763e+02 1.279806900e+02 3.985333790e+01 6.947247630e+01 1.190455822e+02 4.249010201e+01 6.118911196e+01 1.40 1.216826581e+02 7.436735085e+01 1.124835431e+02 1.216886845e+02 1.216947110e+02 3.779159931e+01 6.526106830e+01 1.127359786e+02 3.986246026e+01 5.807633816e+01 1.42 1.154467299e+02 6.881540600e+01 1.058693772e+02 1.154528711e+02 1.154590123e+02 3.574626496e+01 6.117919253e+01 1.065227820e+02 3.732041308e+01 5.498837348e+01 1.44 1.092918459e+02 6.355862811e+01 9.945264757e+01 1.092981037e+02 1.093043616e+02 3.372759365e+01 5.723664408e+01 1.004341539e+02 3.486892031e+01 5.194060536e+01 1.46 1.032461078e+02 5.859566500e+01 9.325037620e+01 1.032524843e+02 1.032588607e+02 3.174495550e+01 5.344137402e+01 9.449485964e+01 3.251192664e+01 4.894708826e+01 1.48 9.733452814e+01 5.392266007e+01 8.727630477e+01 9.734102520e+01 9.734752225e+01 2.980669077e+01 4.979949394e+01 8.872610088e+01 3.025236207e+01 4.602033189e+01 1.50 9.157881325e+01 4.953364218e+01 8.154097888e+01 9.158543295e+01 9.159205264e+01 2.792003766e+01 4.631534347e+01 8.314550339e+01 2.809217887e+01 4.317119293e+01 1.52 8.599730253e+01 4.542089644e+01 7.605191589e+01 8.600404692e+01 8.601079131e+01 2.609111197e+01 4.299160064e+01 7.776721855e+01 2.603241310e+01 4.040884446e+01 1.54 8.060502428e+01 4.157530906e+01 7.081382914e+01 8.061189543e+01 8.061876658e+01 2.432492577e+01 3.982942025e+01 7.260210512e+01 2.407326235e+01 3.774080401e+01 1.56 7.541383519e+01 3.798668190e+01 6.582888604e+01 7.542083521e+01 7.542783522e+01 2.262543389e+01 3.682858811e+01 6.765796476e+01 2.221417236e+01 3.517300328e+01 1.58 7.043261738e+01 3.464401474e+01 6.109698321e+01 7.043974840e+01 7.044687941e+01 2.099559957e+01 3.398768217e+01 6.293981055e+01 2.045392766e+01 3.270988664e+01 1.60 6.566751381e+01 3.153575475e+01 5.661602687e+01 6.567477797e+01 6.568204212e+01 1.943747297e+01 3.130423439e+01 5.845015275e+01 1.879074247e+01 3.035452884e+01 1.62 6.112218474e+01 2.865001394e+01 5.238220847e+01 6.112958421e+01 6.113698369e+01 1.795227664e+01 2.877488794e+01 5.418928925e+01 1.722234891e+01 2.810876323e+01 1.64 5.679807370e+01 2.597475582e+01 4.839026908e+01 5.680561070e+01 5.681314770e+01 1.654049421e+01 2.639554664e+01 5.015559206e+01 1.574608072e+01 2.597331480e+01 1.66 5.269467407e+01 2.349795356e+01 4.463374859e+01 5.270235082e+01 5.271002757e+01 1.520195918e+01 2.416151456e+01 4.634578318e+01 1.435895135e+01 2.394793339e+01 1.68 4.880978826e+01 2.120772157e+01 4.110521580e+01 4.881760700e+01 4.882542575e+01 1.393594139e+01 2.206762404e+01 4.275519500e+01 1.305772542e+01 2.203152335e+01 1.70 4.513977558e+01 1.909242332e+01 3.779647869e+01 4.514773860e+01 4.515570162e+01 1.274122963e+01 2.010835163e+01 3.937801251e+01 1.183898335e+01 2.022226742e+01 1.72 4.167978509e+01 1.714075760e+01 3.469877363e+01 4.168789468e+01 4.169600428e+01 1.161620921e+01 1.827792183e+01 3.620749549e+01 1.069917904e+01 1.851774320e+01 1.74 3.842397082e+01 1.534182587e+01 3.180293369e+01 3.843222931e+01 3.844048781e+01 1.055893378e+01 1.657039859e+01 3.323617967e+01 9.634690665e+00 1.691503074e+01 1.76 3.536568892e+01 1.368518302e+01 2.909953670e+01 3.537409867e+01 3.538250841e+01 9.567190983e+00 1.497976519e+01 3.045605701e+01 8.641864866e+00 1.541081111e+01 1.78 3.249767566e+01 1.216087362e+01 2.657903392e+01 3.250623903e+01 3.251480239e+01 8.638561822e+00 1.349999305e+01 2.785873528e+01 7.717054774e+00 1.400145540e+01 1.80 2.981220654e+01 1.075945601e+01 2.423186042e+01 2.982092592e+01 2.982964530e+01 7.770473702e+00 1.212510018e+01 2.543557795e+01 6.856652185e+00 1.268310431e+01 1.82 2.730123724e+01 9.472015792e+00 2.204852880e+01 2.731011505e+01 2.731899287e+01 6.960247410e+00 1.084919974e+01 2.317782541e+01 6.057114480e+00 1.145173858e+01 1.84 2.495652690e+01 8.290170623e+00 2.001970725e+01 2.496556559e+01 2.497460429e+01 6.205138208e+00 9.666532925e+00 2.107669877e+01 5.314986630e+00 1.030324065e+01 1.86 2.276974499e+01 7.206066335e+00 1.813628385e+01 2.277894702e+01 2.278814905e+01 5.502371458e+00 8.571492243e+00 1.912348765e+01 4.626916307e+00 9.233448083e+00 1.88 2.073256276e+01 6.212354194e+00 1.638941820e+01 2.074193061e+01 2.075129847e+01 4.849173122e+00 7.558646451e+00 1.730962343e+01 3.989658529e+00 8.238199320e+00 1.90 1.883673063e+01 5.302164681e+00 1.477058194e+01 1.884626681e+01 1.885580300e+01 4.242795550e+00 6.622761119e+00 1.562673920e+01 3.400082769e+00 7.313372351e+00 1.92 1.707414273e+01 4.469090566e+00 1.327158952e+01 1.708384977e+01 1.709355682e+01 3.680538999e+00 5.758814238e+00 1.406671806e+01 2.855180962e+00 6.454916987e+00 1.94 1.543688977e+01 3.707169188e+00 1.188462028e+01 1.544677023e+01 1.545665069e+01 3.159769263e+00 4.962007413e+00 1.262173086e+01 2.352073395e+00 5.658881305e+00 1.96 1.391730163e+01 3.010863325e+00 1.060223320e+01 1.392735807e+01 1.393741450e+01 2.677931862e+00 4.227773235e+00 1.128426486e+01 1.888012649e+00 4.921432924e+00 1.98 1.250798062e+01 2.375041126e+00 9.417371038e+00 1.251821562e+01 1.252845062e+01 2.232563151e+00 3.551779304e+00 1.004714431e+01 1.460385830e+00 4.238875664e+00 2.00 1.120182670e+01 1.794955407e+00 8.323349424e+00 1.121224287e+01 1.122265904e+01 1.821298715e+00 2.929929379e+00 8.903544094e+00 1.066715289e+00 3.607662136e+00 2.02 9.992055656e+00 1.266222705e+00 7.313850459e+00 1.000265562e+01 1.001325559e+01 1.441879432e+00 2.358362136e+00 7.846997591e+00 7.046580961e-01 3.024402833e+00 2.04 8.872211051e+00 7.848000957e-01 6.382918165e+00 8.882997455e+00 8.893783859e+00 1.092155470e+00 1.833447854e+00 6.871399374e+00 3.720043848e-01 2.485872111e+00 2.06 7.836171016e+00 3.469525828e-01 5.524951557e+00 7.847146515e+00 7.858122013e+00 7.700885421e-01 1.351783464e+00 5.971003808e+00 6.667481702e-02 1.989011582e+00 2.08 6.878150577e+00 -5.077394127e-02 4.734695675e+00 6.889317845e+00 6.900485113e+00 4.737526920e-01 9.101862442e-01 5.140420163e+00 -2.132827030e-01 1.530931276e+00 2.10 5.992700185e+00 -4.115722461e-01 4.007230923e+00 6.004061910e+00 6.015423636e+00 2.013338052e-01 5.056864269e-01 4.374604907e+00 -4.696969320e-01 1.108908910e+00 2.12 5.174701223e+00 -7.383918863e-01 3.337961181e+00 5.186260108e+00 5.197818993e+00 -4.887188500e-02 1.355190188e-01 3.668851754e+00 -7.042776388e-01 7.203876395e-01 2.14 4.419358954e+00 -1.033956237e+00 2.722600913e+00 4.431117714e+00 4.442876473e+00 -2.784601461e-01 -2.028850944e-01 3.018779943e+00 -9.186203226e-01 3.629725322e-01 2.16 3.722193403e+00 -1.300778474e+00 2.157161566e+00 3.734154764e+00 3.746116125e+00 -4.889217818e-01 -5.119103748e-01 2.420321198e+00 -1.114211190e+00 3.442601165e-02 2.18 3.079028735e+00 -1.541176570e+00 1.637937550e+00 3.091195435e+00 3.103362135e+00 -6.816461704e-01 -7.937691529e-01 1.869705749e+00 -1.292432284e+00 -2.673374549e-01 2.20 2.485981351e+00 -1.757287332e+00 1.161491930e+00 2.498356137e+00 2.510730922e+00 -8.579252309e-01 -1.050511605e+00 1.363447441e+00 -1.454566719e+00 -5.442573092e-01 2.22 1.939447117e+00 -1.951079557e+00 7.246420507e-01 1.952032744e+00 1.964618371e+00 -1.018957676e+00 -1.284035114e+00 8.983223664e-01 -1.601803942e+00 -7.981332841e-01 2.24 1.436088051e+00 -2.124366330e+00 3.244452486e-01 1.448887281e+00 1.461686511e+00 -1.165853448e+00 -1.496093401e+00 4.713422389e-01 -1.735244958e+00 -1.030632064e+00 2.26 9.728185379e-01 -2.278816520e+00 -4.181529774e-02 9.858341394e-01 9.988497409e-01 -1.299638313e+00 -1.688305444e+00 7.973730461e-02 -1.855907511e+00 -1.243294173e+00 2.28 5.467876691e-01 -2.415965994e+00 -3.766469267e-01 5.600224140e-01 5.732571590e-01 -1.421259744e+00 -1.862165350e+00 -2.790591847e-01 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