# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Ag # implementation = 2009--Kang-K-H--Cu-Ag--LAMMPS--ipr1 # composition = AgCu3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 9.705810543e+02 nan nan 0.86 8.941267273e+02 nan nan 0.88 8.234606041e+02 nan nan 0.90 7.581569543e+02 nan nan 0.92 6.978206032e+02 8.405084104e+02 nan 0.94 6.420847858e+02 7.793759872e+02 9.543819534e+02 0.96 5.906091486e+02 7.225178768e+02 8.872307582e+02 0.98 5.430778891e+02 6.696430685e+02 8.246150970e+02 1.00 4.991980245e+02 6.204799495e+02 7.662375249e+02 1.02 4.586977790e+02 5.747750352e+02 7.118196279e+02 1.04 4.213250840e+02 5.322917803e+02 6.611008312e+02 1.06 3.868461806e+02 4.928094681e+02 6.138372810e+02 1.08 3.550443217e+02 4.561221702e+02 5.698007952e+02 1.10 3.257185613e+02 4.220377743e+02 5.287778785e+02 1.12 2.986826306e+02 3.903770743e+02 4.905687983e+02 1.14 2.737638907e+02 3.609729202e+02 4.549867172e+02 1.16 2.508023598e+02 3.336694222e+02 4.218568794e+02 1.18 2.296498071e+02 3.083212069e+02 3.910158477e+02 1.20 2.101689110e+02 2.847927221e+02 3.623107870e+02 1.22 1.922324761e+02 2.629575859e+02 3.355987927e+02 1.24 1.757227051e+02 2.426979793e+02 3.107462606e+02 1.26 1.605305214e+02 2.239040776e+02 2.876282961e+02 1.28 1.465549410e+02 2.064735190e+02 2.661281598e+02 1.30 1.337024863e+02 1.903109084e+02 2.461367482e+02 1.32 1.218866435e+02 1.753273526e+02 2.275521061e+02 1.34 1.110273570e+02 1.614400274e+02 2.102789698e+02 1.36 1.010505603e+02 1.485717713e+02 1.942283391e+02 1.38 9.188773980e+01 1.366507075e+02 1.793170755e+02 1.40 8.347552985e+01 1.256098897e+02 1.654675260e+02 1.42 7.575533655e+01 1.153869711e+02 1.526071706e+02 1.44 6.867298832e+01 1.059238963e+02 1.406682914e+02 1.46 6.217841149e+01 9.716661182e+01 1.295876631e+02 1.48 5.622532904e+01 8.906479727e+01 1.193062629e+02 1.50 5.077098101e+01 8.157161329e+01 1.097689983e+02 1.52 4.577586489e+01 7.464346651e+01 1.009244526e+02 1.54 4.120349478e+01 6.823979008e+01 9.272464614e+01 1.56 3.702017774e+01 6.232283859e+01 8.512481291e+01 1.58 3.319480652e+01 5.685749672e+01 7.808319126e+01 1.60 2.969866700e+01 5.181110056e+01 7.156082785e+01 1.62 2.650525983e+01 4.715327081e+01 6.552139412e+01 1.64 2.359013479e+01 4.285575708e+01 5.993101448e+01 1.66 2.093073743e+01 3.889229260e+01 5.475810542e+01 1.68 1.850626658e+01 3.523845860e+01 4.997322495e+01 1.70 1.629754262e+01 3.187155774e+01 4.554893166e+01 1.72 1.428688502e+01 2.877049613e+01 4.145965279e+01 1.74 1.245799916e+01 2.591567306e+01 3.768156085e+01 1.76 1.079587120e+01 2.328887831e+01 3.419245805e+01 1.78 9.286670950e+00 2.087319628e+01 3.097166834e+01 1.80 7.917661609e+00 1.865291661e+01 2.799993626e+01 1.82 6.677116441e+00 1.661345075e+01 2.525933243e+01 1.84 5.554241416e+00 1.474125427e+01 2.273316512e+01 1.86 4.539103731e+00 1.302375436e+01 2.040589754e+01 1.88 3.622565537e+00 1.144928223e+01 1.826307057e+01 1.90 2.796222695e+00 1.000701014e+01 1.629123041e+01 1.92 2.052348032e+00 8.686892654e+00 1.447786105e+01 1.94 1.383838898e+00 7.479611943e+00 1.281132110e+01 1.96 7.841686155e-01 6.376526780e+00 1.128078474e+01 1.98 2.473416171e-01 5.369625024e+00 9.876186565e+00 2.00 -2.321480725e-01 4.451479356e+00 8.588170062e+00 2.02 -6.593551875e-01 3.615206045e+00 7.408039426e+00 2.04 -1.038918689e+00 2.854426537e+00 6.327714599e+00 2.06 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-3.216952067e+00 -3.035475934e+00 -2.649684240e+00 2.44 -3.199522329e+00 -3.096139110e+00 -2.776583465e+00 2.46 -3.176830357e+00 -3.144729601e+00 -2.885954096e+00 2.48 -3.149506623e+00 -3.182361558e+00 -2.979304083e+00 2.50 -3.118123146e+00 -3.210060131e+00 -3.058025729e+00 2.52 -3.083198480e+00 -3.228768161e+00 -3.123404068e+00 2.54 -3.045202320e+00 -3.239352384e+00 -3.176624670e+00 2.56 -3.004559714e+00 -3.242609184e+00 -3.218780891e+00 2.58 -2.961654937e+00 -3.239269937e+00 -3.250880627e+00 2.60 -2.916835043e+00 -3.230005956e+00 -3.273852591e+00 2.62 -2.870413129e+00 -3.215433085e+00 -3.288552141e+00 2.64 -2.822671320e+00 -3.196115951e+00 -3.295766713e+00 2.66 -2.773863513e+00 -3.172571904e+00 -3.296220852e+00 2.68 -2.724217886e+00 -3.145274676e+00 -3.290580902e+00 2.70 -2.673939200e+00 -3.114657758e+00 -3.279459352e+00 2.72 -2.623210906e+00 -3.081117534e+00 -3.263418877e+00 2.74 -2.572197070e+00 -3.045016188e+00 -3.242976091e+00 2.76 -2.521044144e+00 -3.006684381e+00 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-2.177204327e+00 -2.463898768e+00 3.14 -1.631340989e+00 -2.131540517e+00 -2.416867414e+00 3.16 -1.591617612e+00 -2.086400104e+00 -2.370073477e+00 3.18 -1.552699026e+00 -2.041817022e+00 -2.323578544e+00 3.20 -1.514583338e+00 -1.997820587e+00 -2.277437387e+00 3.22 -1.477267157e+00 -1.954435921e+00 -2.231698546e+00 3.24 -1.440745774e+00 -1.911684333e+00 -2.186404871e+00 3.26 -1.405013319e+00 -1.869583679e+00 -2.141594013e+00 3.28 -1.370062914e+00 -1.828148678e+00 -2.097298881e+00 3.30 -1.335886801e+00 -1.787391217e+00 -2.053548063e+00 3.32 -1.302476459e+00 -1.747320620e+00 -2.010366211e+00 3.34 -1.269822716e+00 -1.707943899e+00 -1.967774397e+00 3.36 -1.237915840e+00 -1.669265982e+00 -1.925790439e+00 3.38 -1.206745624e+00 -1.631289922e+00 -1.884429202e+00 3.40 -1.176301467e+00 -1.594017092e+00 -1.843702869e+00 3.42 -1.146572438e+00 -1.557447355e+00 -1.803621201e+00 3.44 -1.117547341e+00 -1.521579228e+00 -1.764191765e+00 3.46 -1.089214765e+00 -1.486410025e+00 -1.725420144e+00 3.48 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-1.138624888e+00 3.84 -6.740074520e-01 -9.407111700e-01 -1.111852493e+00 3.86 -6.599790961e-01 -9.088389907e-01 -1.085641283e+00 3.88 -6.462441656e-01 -8.626176952e-01 -1.059982289e+00 3.90 -6.327899633e-01 -8.230157573e-01 -1.034866485e+00 3.92 -6.196042169e-01 -8.031830774e-01 -1.010284810e+00 3.94 -6.066715906e-01 -7.838220154e-01 -9.862281896e-01 3.96 -5.910042630e-01 -7.649228307e-01 -9.626875535e-01 3.98 -5.493154388e-01 -7.464759142e-01 -9.396538532e-01 4.00 -4.255990692e-01 -7.284717940e-01 -9.171180753e-01 4.02 -2.294129726e-01 -7.109011396e-01 -8.950712544e-01 4.04 -2.094350897e-01 -6.937547662e-01 -8.735044847e-01 4.06 -2.038501191e-01 -6.770236366e-01 -8.524089297e-01 4.08 -1.984180599e-01 -6.606988642e-01 -8.317758306e-01 4.10 -1.931345484e-01 -6.447717139e-01 -8.115965145e-01 4.12 -1.879953432e-01 -6.292336033e-01 -7.918623999e-01 4.14 -1.829963227e-01 -6.140761029e-01 -7.725650033e-01 4.16 -1.781334826e-01 -5.992909359e-01 -7.536959432e-01 4.18 -1.734029340e-01 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