# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--LAMMPS--ipr1 # 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 nan nan 0.82 nan nan nan nan nan nan nan nan 4.595668167e+04 nan 0.84 nan nan nan nan nan nan nan nan 4.110887529e+04 nan 0.86 nan nan nan nan nan nan nan nan 3.670742210e+04 nan 0.88 nan nan nan nan nan 2.549055920e+04 nan nan 3.270240041e+04 nan 0.90 nan nan nan nan nan 2.231961766e+04 nan nan 2.905039648e+04 nan 0.92 nan nan nan nan nan 1.942249551e+04 nan nan 2.571352536e+04 nan 0.94 nan nan nan nan nan 1.677036336e+04 nan nan 2.265865800e+04 nan 0.96 nan nan nan nan nan 1.433798929e+04 nan nan 1.985676729e+04 nan 0.98 nan nan nan nan nan 1.210326192e+04 nan nan 1.728232267e+04 nan 1.00 nan nan nan 4.870578974e+04 4.870588777e+04 1.004668155e+04 nan nan 1.491275439e+04 2.765418987e+04 1.02 nan 2.465341894e+04 nan 4.453296186e+04 4.453306240e+04 8.150998860e+03 2.536641125e+04 nan 1.272821482e+04 2.471921736e+04 1.04 nan 2.194700869e+04 nan 4.067943118e+04 4.067951198e+04 6.400911788e+03 2.261867418e+04 nan 1.071112122e+04 2.200892983e+04 1.06 nan 1.944395391e+04 nan 3.711536523e+04 3.711542003e+04 4.911089792e+03 2.007742144e+04 nan 8.845830297e+03 1.950237017e+04 1.08 nan 1.712559671e+04 nan 3.381418533e+04 3.381422508e+04 3.784136270e+03 1.772370069e+04 nan 7.118394670e+03 1.718083841e+04 1.10 nan 1.497516133e+04 nan 3.075219466e+04 3.075224156e+04 2.929254177e+03 1.554061655e+04 nan 5.543906093e+03 1.502763542e+04 1.12 nan 1.297776227e+04 nan 2.790821786e+04 2.790828101e+04 2.278425845e+03 1.351306760e+04 nan 4.300288190e+03 1.302787666e+04 1.14 2.526319576e+04 1.112010448e+04 2.131978863e+04 2.526328110e+04 2.526336099e+04 1.781192261e+03 1.162751198e+04 2.249300396e+04 3.347810268e+03 1.116823251e+04 1.16 2.280020068e+04 9.390239704e+03 1.906097020e+04 2.280034282e+04 2.280042900e+04 1.399977603e+03 9.871755754e+03 2.017374263e+04 2.616039988e+03 9.436751157e+03 1.18 2.050387949e+04 7.777435991e+03 1.695499583e+04 2.050403825e+04 2.050412218e+04 1.106696157e+03 8.234898763e+03 1.801138679e+04 2.052137098e+03 7.822621528e+03 1.20 1.836042078e+04 6.272030470e+03 1.498924613e+04 1.836054912e+04 1.836062132e+04 8.802725803e+02 6.707120248e+03 1.599281612e+04 1.616296765e+03 6.316091572e+03 1.22 1.635723646e+04 4.962696847e+03 1.315219318e+04 1.635729821e+04 1.635735039e+04 7.047824275e+02 5.325914959e+03 1.410628490e+04 1.278405302e+03 5.003090971e+03 1.24 1.448296451e+04 3.936623205e+03 1.143341194e+04 1.448295305e+04 1.448298760e+04 5.681887250e+02 4.228793042e+03 1.234117826e+04 1.015637664e+03 3.973490627e+03 1.26 1.272743562e+04 3.131120170e+03 9.823567857e+03 1.272738343e+04 1.272741061e+04 4.614147194e+02 3.366969610e+03 1.068793680e+04 8.106684364e+02 3.164860476e+03 1.28 1.108142568e+04 2.497205827e+03 8.314214370e+03 1.108138376e+04 1.108141442e+04 3.775673034e+02 2.688271313e+03 9.137884880e+03 6.502851985e+02 2.528167274e+03 1.30 9.536589154e+03 1.997134681e+03 6.897708437e+03 9.536593955e+03 9.536633715e+03 3.114031091e+02 2.152483160e+03 7.683159671e+03 5.243858571e+02 2.025614481e+03 1.32 8.085328714e+03 1.601713951e+03 5.586934882e+03 8.085393967e+03 8.085447224e+03 2.589211889e+02 1.728506903e+03 6.316609838e+03 4.252254320e+02 1.627972900e+03 1.34 6.720730376e+03 1.288315308e+03 4.511501593e+03 6.720851666e+03 6.720919488e+03 2.170585787e+02 1.392224186e+03 5.105225348e+03 3.468526411e+02 1.312586597e+03 1.36 5.466351705e+03 1.039357763e+03 3.651266570e+03 5.466493318e+03 5.466567741e+03 1.834696138e+02 1.124873366e+03 4.133968730e+03 2.846768218e+02 1.061846856e+03 1.38 4.441383232e+03 8.411475285e+02 2.961696986e+03 4.441499161e+03 4.441564956e+03 1.563310481e+02 9.118277695e+02 3.354873918e+03 2.351503998e+02 8.620260759e+02 1.40 3.616251948e+03 6.829746320e+02 2.407794517e+03 3.616325388e+03 3.616375775e+03 1.342474017e+02 7.416609692e+02 2.728628797e+03 1.955266305e+02 7.023961388e+02 1.42 2.950659384e+03 5.564469608e+02 1.961979588e+03 2.950694710e+03 2.950729193e+03 1.161461348e+02 6.054230155e+02 2.224234178e+03 1.636770223e+02 5.745589641e+02 1.44 2.412709283e+03 4.549959187e+02 1.602457364e+03 2.412720879e+03 2.412743360e+03 1.011959387e+02 4.960871488e+02 1.817192352e+03 1.379504419e+02 4.719230024e+02 1.46 1.977097851e+03 3.734516323e+02 1.311961060e+03 1.977099680e+03 1.977116196e+03 8.874845948e+01 4.081232989e+02 1.488079270e+03 1.170557268e+02 3.893000541e+02 1.48 1.623708255e+03 3.077425026e+02 1.076784528e+03 1.623707773e+03 1.623723175e+03 7.829679054e+01 3.371679381e+02 1.221481411e+03 9.998447471e+01 3.226002949e+02 1.50 1.336515831e+03 2.546532458e+02 8.860267931e+02 1.336513188e+03 1.336528026e+03 6.944320964e+01 2.797740578e+02 1.005110228e+03 8.595046399e+01 2.685996188e+02 1.52 1.102679044e+03 2.116362399e+02 7.310031055e+02 1.102676984e+03 1.102692614e+03 6.187702583e+01 2.332150025e+02 8.291664826e+02 7.433814541e+01 2.247354123e+02 1.54 9.119314040e+02 1.766740689e+02 6.047816707e+02 9.119343947e+02 9.119519571e+02 5.535713830e+01 1.953287142e+02 6.858292125e+02 6.466340943e+01 1.889814063e+02 1.56 7.560534730e+02 1.481666474e+02 5.018156239e+02 7.560642358e+02 7.560840991e+02 4.969542158e+01 1.643977680e+02 5.688387537e+02 5.654513833e+01 1.597338500e+02 1.58 6.284452555e+02 1.248427757e+02 4.176612893e+02 6.284649676e+02 6.284872601e+02 4.474917947e+01 1.390567040e+02 4.731717756e+02 4.968491566e+01 1.357193906e+02 1.60 5.237929921e+02 1.056900307e+02 3.487350984e+02 5.238202807e+02 5.238437162e+02 4.039378896e+01 1.182110874e+02 3.947885473e+02 4.384395810e+01 1.159234895e+02 1.62 4.378093174e+02 8.989940439e+01 2.921460336e+02 4.378396898e+02 4.378611115e+02 3.652239129e+01 1.009898911e+02 3.304342350e+02 3.882824965e+01 9.953517822e+01 1.64 3.670280122e+02 7.682307860e+01 2.455757169e+02 3.670566359e+02 3.670731274e+02 3.305772438e+01 8.670083638e+01 2.774835762e+02 3.448873030e+01 8.590408193e+01 1.66 3.086428026e+02 6.594278793e+01 2.071603890e+02 3.086667509e+02 3.086772010e+02 2.994215284e+01 7.479122719e+01 2.338172520e+02 3.070913979e+01 7.450804085e+01 1.68 2.603805767e+02 5.684522091e+01 1.753946662e+02 2.603986715e+02 2.604036803e+02 2.712932283e+01 6.481779100e+01 1.977224824e+02 2.739664878e+01 6.492918065e+01 1.70 2.203984143e+02 4.920026549e+01 1.490599098e+02 2.204102568e+02 2.204115008e+02 2.458099681e+01 5.642350042e+01 1.678121655e+02 2.447569457e+01 5.683305492e+01 1.72 1.871994840e+02 4.274251974e+01 1.271678162e+02 1.872052244e+02 1.872046920e+02 2.226520329e+01 4.932017773e+01 1.429612067e+02 2.188608300e+01 4.995097574e+01 1.74 1.595656131e+02 3.725832889e+01 1.089154535e+02 1.595660259e+02 1.595652116e+02 2.015491378e+01 4.327525253e+01 1.222536212e+02 1.957869658e+01 4.406640268e+01 1.76 1.365040463e+02 3.257505429e+01 9.364961933e+01 1.364996538e+02 1.364989658e+02 1.822731861e+01 3.810373493e+01 1.049436799e+02 1.750849819e+01 3.900521928e+01 1.78 1.172033549e+02 2.855202394e+01 8.083830561e+01 1.171945573e+02 1.171937348e+02 1.646327984e+01 3.365265931e+01 9.042457062e+01 1.564187821e+01 3.462656974e+01 1.80 1.009995235e+02 2.507510944e+01 7.004745891e+01 1.009873098e+02 1.009861742e+02 1.484667240e+01 2.979414629e+01 7.820326881e+01 1.395322882e+01 3.081570530e+01 1.82 8.735248385e+01 2.205223534e+01 6.092197048e+01 8.733887488e+01 8.733758022e+01 1.336352083e+01 2.642848169e+01 6.787924910e+01 1.242208109e+01 2.748332723e+01 1.84 7.581879418e+01 1.940924151e+01 5.317174265e+01 7.580662744e+01 7.580565625e+01 1.200180987e+01 2.347650269e+01 5.912414964e+01 1.103125520e+01 2.455265750e+01 1.86 6.603254408e+01 1.708644866e+01 4.656036903e+01 6.602453334e+01 6.602445687e+01 1.075122133e+01 2.087424372e+01 5.166760473e+01 9.765853389e+00 2.195460730e+01 1.88 5.769676843e+01 1.503559033e+01 4.089437311e+01 5.769461775e+01 5.769586466e+01 9.602158298e+00 1.856893736e+01 4.529016864e+01 8.612432435e+00 1.963790941e+01 1.90 5.056930968e+01 1.321726677e+01 3.601479796e+01 5.057320655e+01 5.057594025e+01 8.545343202e+00 1.651669315e+01 3.981290723e+01 7.558897242e+00 1.756320821e+01 1.92 4.445159113e+01 1.159884444e+01 3.179130691e+01 4.446066188e+01 4.446485200e+01 7.572407597e+00 1.468111878e+01 3.508912177e+01 6.595135921e+00 1.569877177e+01 1.94 3.918003976e+01 1.015297153e+01 2.811708359e+01 3.919293675e+01 3.919846191e+01 6.676031208e+00 1.303226371e+01 3.099791984e+01 5.713089560e+00 1.401792986e+01 1.96 3.461963068e+01 8.856850076e+00 2.490480933e+01 3.463473853e+01 3.464131242e+01 5.850106363e+00 1.154553945e+01 2.743921841e+01 4.906027535e+00 1.249806104e+01 1.98 3.065853598e+01 7.691152593e+00 2.208318498e+01 3.067407767e+01 3.068121586e+01 5.089642077e+00 1.020072356e+01 2.432955969e+01 4.168153161e+00 1.111974489e+01 2.00 2.720373233e+01 6.639094726e+00 1.959381469e+01 2.721786982e+01 2.722494914e+01 4.390408347e+00 8.981105303e+00 2.159914721e+01 3.494215958e+00 9.866181537e+00 2.02 2.417742798e+01 5.686193004e+00 1.738864704e+01 2.418840454e+01 2.419478454e+01 3.748652540e+00 7.872874536e+00 1.918969651e+01 2.879111273e+00 8.722918324e+00 2.04 2.151407335e+01 4.820195897e+00 1.542791366e+01 2.152066088e+01 2.152585132e+01 3.160911418e+00 6.864551411e+00 1.705243650e+01 2.317740693e+00 7.677723301e+00 2.06 1.915787869e+01 4.031253045e+00 1.367843776e+01 1.915995118e+01 1.916379473e+01 2.623898130e+00 5.947853789e+00 1.514695364e+01 1.805167697e+00 6.720448822e+00 2.08 1.706217999e+01 3.311449303e+00 1.211221745e+01 1.706069941e+01 1.706335712e+01 2.134442947e+00 5.113302990e+00 1.344034087e+01 1.337247188e+00 5.842779478e+00 2.10 1.518919089e+01 2.656200587e+00 1.070518506e+01 1.518556887e+01 1.518727290e+01 1.689444104e+00 4.350937534e+00 1.190597413e+01 9.117372828e-01 5.037876052e+00 2.12 1.350825373e+01 2.059882106e+00 9.436394286e+00 1.350381293e+01 1.350466291e+01 1.285819230e+00 3.652744933e+00 1.052202330e+01 5.244067893e-01 4.299934748e+00 2.14 1.199422414e+01 1.514975486e+00 8.288081362e+00 1.198996474e+01 1.198996703e+01 9.204528617e-01 3.012434524e+00 9.270276598e+00 1.719226166e-01 3.623731110e+00 2.16 1.062616631e+01 1.016543427e+00 7.245132212e+00 1.062264557e+01 1.062181596e+01 5.901362237e-01 2.425003530e+00 8.135230015e+00 -1.479443383e-01 3.004222072e+00 2.18 9.386369906e+00 5.611776794e-01 6.294724729e+00 9.383712180e+00 9.382148160e+00 2.917317067e-01 1.886216118e+00 7.103430949e+00 -4.368769601e-01 2.436336894e+00 2.20 8.259774067e+00 1.462752582e-01 5.426502782e+00 8.257886913e+00 8.255803753e+00 2.253585035e-02 1.392421729e+00 6.163324825e+00 -6.964066902e-01 1.915176857e+00 2.22 7.233681186e+00 -2.304211871e-01 4.632917180e+00 7.232460861e+00 7.230185667e+00 -2.197636068e-01 9.403618065e-01 5.305277715e+00 -9.281827403e-01 1.436467020e+00 2.24 6.297265858e+00 -5.710864402e-01 3.908687808e+00 6.296697658e+00 6.294622835e+00 -4.372578077e-01 5.270612135e-01 4.521135718e+00 -1.134068754e+00 9.964725381e-01 2.26 5.441316860e+00 -8.779331556e-01 3.245300174e+00 5.441432285e+00 5.439924563e+00 -6.318897292e-01 1.497850120e-01 3.803849441e+00 -1.316033705e+00 5.922503157e-01 2.28 4.657972272e+00 -1.153250698e+00 2.636427606e+00 4.658735396e+00 4.658005975e+00 -8.054867141e-01 -1.939750737e-01 3.147242465e+00 -1.476035439e+00 2.215370305e-01 2.30 3.940465352e+00 -1.397578492e+00 2.077473009e+00 3.941685221e+00 3.941700320e+00 -9.598027917e-01 -5.065121030e-01 2.545813480e+00 -1.615916273e+00 -1.174677896e-01 2.32 3.282926339e+00 -1.613700589e+00 1.564802012e+00 3.284316483e+00 3.284866772e+00 -1.096560712e+00 -7.899177437e-01 1.994645131e+00 -1.737493620e+00 -4.262772714e-01 2.34 2.680215234e+00 -1.806310005e+00 1.095215586e+00 2.681469247e+00 2.682257275e+00 -1.217493886e+00 -1.046118595e+00 1.489485320e+00 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