# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Lee-B-J-Shim-J-H--Cu-Ni # implementation = 2004--Lee-B-J--Cu-Ni--LAMMPS--ipr1 # composition = CuNi3 # 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 5.234899639e+02 nan nan 0.80 4.850661782e+02 nan nan 0.82 4.493207651e+02 nan nan 0.84 4.160724309e+02 5.096585463e+02 nan 0.86 3.851519326e+02 4.752600648e+02 5.199920643e+02 0.88 3.564012837e+02 4.430573064e+02 4.863568045e+02 0.90 3.296730124e+02 4.129148969e+02 4.547693934e+02 0.92 3.048294689e+02 3.847055895e+02 4.251100082e+02 0.94 2.817421781e+02 3.583097875e+02 3.972656181e+02 0.96 2.602912352e+02 3.336150949e+02 3.711296103e+02 0.98 2.403647412e+02 3.105158920e+02 3.466014354e+02 1.00 2.218582750e+02 2.889129370e+02 3.235862718e+02 1.02 2.046744011e+02 2.687129889e+02 3.019947086e+02 1.04 1.887222083e+02 2.498284533e+02 2.817424455e+02 1.06 1.739168800e+02 2.321770486e+02 2.627500085e+02 1.08 1.601792921e+02 2.156814913e+02 2.449424821e+02 1.10 1.474356367e+02 2.002691995e+02 2.282492548e+02 1.12 1.356170716e+02 1.858720137e+02 2.126037789e+02 1.14 1.246593920e+02 1.724259344e+02 1.979433438e+02 1.16 1.145027237e+02 1.598708736e+02 1.842088609e+02 1.18 1.050912367e+02 1.481504226e+02 1.713446609e+02 1.20 9.637287733e+01 1.372116316e+02 1.592983014e+02 1.22 8.829911823e+01 1.270048035e+02 1.480203859e+02 1.24 8.082472417e+01 1.174832989e+02 1.374643922e+02 1.26 7.390753365e+01 1.086033530e+02 1.275865100e+02 1.28 6.750825467e+01 1.003239032e+02 1.183454879e+02 1.30 6.159027386e+01 9.260642628e+01 1.097024886e+02 1.32 5.611947812e+01 8.541478590e+01 1.016209521e+02 1.34 5.106408797e+01 7.871508862e+01 9.406646637e+01 1.36 4.639450186e+01 7.247554855e+01 8.700664511e+01 1.38 4.208315062e+01 6.666635984e+01 8.041101250e+01 1.40 3.810436154e+01 6.125957688e+01 7.425089414e+01 1.42 3.443423134e+01 5.622900146e+01 6.849931407e+01 1.44 3.105050753e+01 5.155007667e+01 6.313089755e+01 1.46 2.793247750e+01 4.719978702e+01 5.812177920e+01 1.48 2.506086499e+01 4.315656457e+01 5.344951627e+01 1.50 2.241773335e+01 3.940020062e+01 4.909300676e+01 1.52 1.998639518e+01 3.591176257e+01 4.503241211e+01 1.54 1.775132792e+01 3.267351585e+01 4.124908422e+01 1.56 1.569809505e+01 2.966885042e+01 3.772549649e+01 1.58 1.381327246e+01 2.688221175e+01 3.444517888e+01 1.60 1.208437976e+01 2.429903582e+01 3.139265643e+01 1.62 1.049981604e+01 2.190568812e+01 2.855339143e+01 1.64 9.048800002e+00 1.968940620e+01 2.591372870e+01 1.66 7.721313993e+00 1.763824582e+01 2.346084403e+01 1.68 6.508051796e+00 1.574103017e+01 2.118269556e+01 1.70 5.400369890e+00 1.398730229e+01 1.906797783e+01 1.72 4.390241956e+00 1.236728027e+01 1.710607856e+01 1.74 3.470216424e+00 1.087181523e+01 1.528703773e+01 1.76 2.633376864e+00 9.492351766e+00 1.360150919e+01 1.78 1.873305020e+00 8.220890869e+00 1.204072424e+01 1.80 1.184046334e+00 7.049955051e+00 1.059645748e+01 1.82 5.600777743e-01 5.972555592e+00 9.260994488e+00 1.84 -3.722156349e-03 4.982161814e+00 8.027101449e+00 1.86 -5.121014082e-01 4.072672191e+00 6.887996434e+00 1.88 -9.694604678e-01 3.238387255e+00 5.837322409e+00 1.90 -1.379876687e+00 2.473984146e+00 4.869121765e+00 1.92 -1.747126958e+00 1.774492720e+00 3.977812321e+00 1.94 -2.074708855e+00 1.135273139e+00 3.158164735e+00 1.96 -2.365860330e+00 5.519948206e-01 2.405281196e+00 1.98 -2.623578075e+00 2.061670953e-02 1.714575389e+00 2.00 -2.850634628e+00 -4.626312634e-01 1.081753589e+00 2.02 -3.049594305e+00 -9.012655418e-01 5.027968977e-01 2.04 -3.222828048e+00 -1.298565260e+00 -2.605551928e-02 2.06 -3.372527242e+00 -1.657587517e+00 -5.083221788e-01 2.08 -3.500716596e+00 -1.981181727e+00 -9.472941328e-01 2.10 -3.609266122e+00 -2.272003056e+00 -1.346048922e+00 2.12 -3.699902289e+00 -2.532525026e+00 -1.707463723e+00 2.14 -3.774218414e+00 -2.765051337e+00 -2.034227714e+00 2.16 -3.833684315e+00 -2.971726936e+00 -2.328853704e+00 2.18 -3.879655309e+00 -3.154548400e+00 -2.593689082e+00 2.20 -3.913380565e+00 -3.315373661e+00 -2.830926100e+00 2.22 -3.936010890e+00 -3.455931121e+00 -3.042611565e+00 2.24 -3.948605954e+00 -3.577828184e+00 -3.230655926e+00 2.26 -3.952141019e+00 -3.682559262e+00 -3.396841841e+00 2.28 -3.947513184e+00 -3.771513250e+00 -3.542832213e+00 2.30 -3.935547195e+00 -3.845980552e+00 -3.670177752e+00 2.32 -3.917000841e+00 -3.907159637e+00 -3.780324076e+00 2.34 -3.892569969e+00 -3.956163191e+00 -3.874618388e+00 2.36 -3.862893135e+00 -3.994023864e+00 -3.954315744e+00 2.38 -3.828555930e+00 -4.021699658e+00 -4.020584940e+00 2.40 -3.790094993e+00 -4.040078962e+00 -4.074514045e+00 2.42 -3.748001737e+00 -4.049985260e+00 -4.117115593e+00 2.44 -3.702725800e+00 -4.052181549e+00 -4.149331459e+00 2.46 -3.654678258e+00 -4.047374448e+00 -4.172037432e+00 2.48 -3.604234592e+00 -4.036218063e+00 -4.186047512e+00 2.50 -3.551737450e+00 -4.019317580e+00 -4.192117941e+00 2.52 -3.497499201e+00 -3.997232643e+00 -4.190950978e+00 2.54 -3.441804302e+00 -3.970480493e+00 -4.183198451e+00 2.56 -3.384911495e+00 -3.939538915e+00 -4.169465078e+00 2.58 -3.327055838e+00 -3.904848981e+00 -4.150311589e+00 2.60 -3.268450586e+00 -3.866817615e+00 -4.126257644e+00 2.62 -3.209288937e+00 -3.825819995e+00 -4.097784576e+00 2.64 -3.149745638e+00 -3.782201785e+00 -4.065337960e+00 2.66 -3.089978484e+00 -3.736281222e+00 -4.029330012e+00 2.68 -3.030129691e+00 -3.688351071e+00 -3.990141848e+00 2.70 -2.970327175e+00 -3.638680436e+00 -3.948125593e+00 2.72 -2.910685730e+00 -3.587516462e+00 -3.903606353e+00 2.74 -2.851308115e+00 -3.535085913e+00 -3.856884067e+00 2.76 -2.792286063e+00 -3.481596648e+00 -3.808235239e+00 2.78 -2.733701210e+00 -3.427238998e+00 -3.757915436e+00 2.80 -2.675625946e+00 -3.372187044e+00 -3.706166960e+00 2.82 -2.618124215e+00 -3.316599812e+00 -3.653212731e+00 2.84 -2.561252237e+00 -3.260622388e+00 -3.599214645e+00 2.86 -2.505059183e+00 -3.204386948e+00 -3.544367284e+00 2.88 -2.449587795e+00 -3.148013730e+00 -3.488843963e+00 2.90 -2.394874956e+00 -3.091611924e+00 -3.432797046e+00 2.92 -2.340952213e+00 -3.035280512e+00 -3.376365827e+00 2.94 -2.287846267e+00 -2.979109042e+00 -3.319677464e+00 2.96 -2.235579410e+00 -2.923178352e+00 -3.262847867e+00 2.98 -2.184169938e+00 -2.867561244e+00 -3.205982517e+00 3.00 -2.133632525e+00 -2.812323103e+00 -3.149177233e+00 3.02 -2.083978571e+00 -2.757522481e+00 -3.092518885e+00 3.04 -2.035216515e+00 -2.703211636e+00 -3.036086064e+00 3.06 -1.987352127e+00 -2.649437029e+00 -2.979949701e+00 3.08 -1.940388775e+00 -2.596239792e+00 -2.924173649e+00 3.10 -1.894327667e+00 -2.543656156e+00 -2.868815218e+00 3.12 -1.849168077e+00 -2.491717854e+00 -2.813925681e+00 3.14 -1.804907548e+00 -2.440452487e+00 -2.759550741e+00 3.16 -1.761542080e+00 -2.389883871e+00 -2.705730966e+00 3.18 -1.719066298e+00 -2.340032355e+00 -2.652502193e+00 3.20 -1.677449628e+00 -2.290915112e+00 -2.599895906e+00 3.22 -1.635656127e+00 -2.242546419e+00 -2.547939584e+00 3.24 -1.581951366e+00 -2.194937900e+00 -2.496657028e+00 3.26 -1.539086985e+00 -2.148098766e+00 -2.446068662e+00 3.28 -1.515076682e+00 -2.102036030e+00 -2.396191813e+00 3.30 -1.484059075e+00 -2.056754705e+00 -2.347040972e+00 3.32 -1.453669875e+00 -2.012257987e+00 -2.298628035e+00 3.34 -1.423899986e+00 -1.968547426e+00 -2.250962528e+00 3.36 -1.394739980e+00 -1.925623086e+00 -2.204051809e+00 3.38 -1.366180151e+00 -1.883483681e+00 -2.157901267e+00 3.40 -1.338210568e+00 -1.842122020e+00 -2.112514495e+00 3.42 -1.310821123e+00 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-4.352863181e-01 -1.188910783e+00 -1.391398798e+00 3.80 -4.258605748e-01 -1.163149477e+00 -1.360390994e+00 3.82 -4.166399312e-01 -1.137953220e+00 -1.330013101e+00 3.84 -4.076197459e-01 -1.113312265e+00 -1.300254861e+00 3.86 -3.987954851e-01 -1.089216904e+00 -1.271105983e+00 3.88 -3.901627213e-01 -1.065657473e+00 -1.242556170e+00 3.90 -3.817171314e-01 -1.042624373e+00 -1.214595131e+00 3.92 -3.726485261e-01 -1.018603013e+00 -1.185993328e+00 3.94 -3.527650418e-01 -9.741859677e-01 -1.140625821e+00 3.96 -2.953223070e-01 -8.508350791e-01 -1.021631907e+00 3.98 -1.638236140e-01 -5.229221034e-01 -6.638562194e-01 4.00 -1.713795955e-22 -4.490559788e-22 -4.951858668e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 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