# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 1.288934223e+02 nan nan 1.02 1.177720000e+02 nan nan 1.04 1.075702457e+02 nan nan 1.06 9.818280328e+01 nan nan 1.08 8.954369008e+01 nan nan 1.10 8.159187967e+01 1.237746823e+02 1.404332497e+02 1.12 7.424766373e+01 1.139078423e+02 1.295719387e+02 1.14 6.746914256e+01 1.048074230e+02 1.195472597e+02 1.16 6.122359318e+01 9.639102358e+01 1.102705621e+02 1.18 5.546093578e+01 8.859043030e+01 1.016915416e+02 1.20 5.014806463e+01 8.134812828e+01 9.372743248e+01 1.22 4.524892832e+01 7.460348893e+01 8.631443907e+01 1.24 4.074417645e+01 6.834799021e+01 7.941089596e+01 1.26 3.660126411e+01 6.253990486e+01 7.299517247e+01 1.28 3.278755578e+01 5.713200076e+01 6.701893605e+01 1.30 2.929104227e+01 5.211391777e+01 6.146815221e+01 1.32 2.607987119e+01 4.745433529e+01 5.630687954e+01 1.34 2.314805354e+01 4.313157214e+01 5.150000076e+01 1.36 2.047084270e+01 3.912001539e+01 4.703137281e+01 1.38 1.801909181e+01 3.541369129e+01 4.287049643e+01 1.40 1.578305162e+01 3.198399491e+01 3.899563677e+01 1.42 1.375022797e+01 2.880754410e+01 3.539560552e+01 1.44 1.190027689e+01 2.585823698e+01 3.204630461e+01 1.46 1.022412567e+01 2.312787025e+01 2.893191880e+01 1.48 8.715794746e+00 2.060787814e+01 2.603660979e+01 1.50 7.358367587e+00 1.829173171e+01 2.336126124e+01 1.52 6.135976549e+00 1.616368625e+01 2.088572626e+01 1.54 5.033904469e+00 1.420570041e+01 1.860211888e+01 1.56 4.048504109e+00 1.241135725e+01 1.649451290e+01 1.58 3.172274016e+00 1.078007455e+01 1.456184325e+01 1.60 2.392642124e+00 9.296818053e+00 1.278841382e+01 1.62 1.700227213e+00 7.951118469e+00 1.116431747e+01 1.64 1.085570863e+00 6.730760600e+00 9.676277148e+00 1.66 5.526011942e-01 5.623541035e+00 8.313816184e+00 1.68 9.065163943e-02 4.619038974e+00 7.078170430e+00 1.70 -3.082473580e-01 3.714027060e+00 5.957168139e+00 1.72 -6.517372176e-01 2.903602437e+00 4.940387308e+00 1.74 -9.512837879e-01 2.178118637e+00 4.017610332e+00 1.76 -1.219145584e+00 1.528469751e+00 3.178192553e+00 1.78 -1.458276737e+00 9.534690949e-01 2.413583681e+00 1.80 -1.669111940e+00 4.441761668e-01 1.733116293e+00 1.82 -1.854519985e+00 -6.990733508e-03 1.127341585e+00 1.84 -2.016762637e+00 -4.073471371e-01 5.898760327e-01 1.86 -2.158613400e+00 -7.625008141e-01 1.134689546e-01 1.88 -2.280245646e+00 -1.071424054e+00 -3.015731935e-01 1.90 -2.385577969e+00 -1.334385840e+00 -6.629724441e-01 1.92 -2.468642209e+00 -1.568191645e+00 -9.765486694e-01 1.94 -2.612118229e+00 -1.776080130e+00 -1.246481377e+00 1.96 -2.824894259e+00 -1.960648661e+00 -1.481627615e+00 1.98 -3.014507481e+00 -2.120787649e+00 -1.693150587e+00 2.00 -3.183061327e+00 -2.258649555e+00 -1.883126872e+00 2.02 -3.332610907e+00 -2.376065293e+00 -2.053781388e+00 2.04 -3.465175204e+00 -2.474845101e+00 -2.204872603e+00 2.06 -3.582750720e+00 -2.556788712e+00 -2.335150236e+00 2.08 -3.689186757e+00 -2.623696729e+00 -2.447570216e+00 2.10 -3.779548331e+00 -2.677404119e+00 -2.544076623e+00 2.12 -3.856017226e+00 -2.830495846e+00 -2.626857482e+00 2.14 -3.920417061e+00 -3.017015120e+00 -2.697239807e+00 2.16 -3.971504131e+00 -3.182148282e+00 -2.749667765e+00 2.18 -4.011183809e+00 -3.329832296e+00 -2.882166932e+00 2.20 -4.040579448e+00 -3.461649568e+00 -3.058044287e+00 2.22 -4.060774846e+00 -3.579144520e+00 -3.216143679e+00 2.24 -4.072743814e+00 -3.683654115e+00 -3.357930280e+00 2.26 -4.078125088e+00 -3.777880342e+00 -3.485172555e+00 2.28 -4.075048173e+00 -3.858400447e+00 -3.598095214e+00 2.30 -4.065464455e+00 -3.926124577e+00 -3.697969597e+00 2.32 -4.050951953e+00 -3.982461184e+00 -3.786180305e+00 2.34 -4.033392350e+00 -4.028413935e+00 -3.864004069e+00 2.36 -4.009825936e+00 -4.064946501e+00 -3.932707315e+00 2.38 -3.981144354e+00 -4.092988470e+00 -3.993578458e+00 2.40 -3.945283211e+00 -4.113442999e+00 -4.048240905e+00 2.42 -3.903638654e+00 -4.127201672e+00 -4.099910828e+00 2.44 -3.856542312e+00 -4.135173821e+00 -4.137954103e+00 2.46 -3.804351162e+00 -4.138417078e+00 -4.166402106e+00 2.48 -3.747379055e+00 -4.138564117e+00 -4.185910379e+00 2.50 -3.684156791e+00 -4.130847628e+00 -4.197100734e+00 2.52 -3.620453266e+00 -4.119130386e+00 -4.200563143e+00 2.54 -3.555120269e+00 -4.104649770e+00 -4.196860147e+00 2.56 -3.488495834e+00 -4.083443669e+00 -4.186083430e+00 2.58 -3.420848699e+00 -4.056321997e+00 -4.169695413e+00 2.60 -3.352428460e+00 -4.024009996e+00 -4.148600004e+00 2.62 -3.283466032e+00 -3.986851209e+00 -4.123541102e+00 2.64 -3.214174794e+00 -3.945152246e+00 -4.093089576e+00 2.66 -3.144751611e+00 -3.899182372e+00 -4.058245453e+00 2.68 -3.075375481e+00 -3.849206680e+00 -4.019367444e+00 2.70 -3.006402781e+00 -3.795506931e+00 -3.976787933e+00 2.72 -2.938296397e+00 -3.737233295e+00 -3.930813583e+00 2.74 -2.871688539e+00 -3.677004157e+00 -3.881736079e+00 2.76 -2.805219064e+00 -3.616309051e+00 -3.829911753e+00 2.78 -2.739459273e+00 -3.555072246e+00 -3.775595270e+00 2.80 -2.673431328e+00 -3.492187026e+00 -3.718062574e+00 2.82 -2.608399793e+00 -3.428269318e+00 -3.659762718e+00 2.84 -2.544324268e+00 -3.363472415e+00 -3.602646294e+00 2.86 -2.481800935e+00 -3.297931264e+00 -3.547269789e+00 2.88 -2.419543998e+00 -3.231762604e+00 -3.489205318e+00 2.90 -2.357858971e+00 -3.165064922e+00 -3.430014883e+00 2.92 -2.296776692e+00 -3.097918480e+00 -3.369848826e+00 2.94 -2.236318636e+00 -3.030434942e+00 -3.308842555e+00 2.96 -2.176496943e+00 -2.962997288e+00 -3.247116634e+00 2.98 -2.117314585e+00 -2.895738954e+00 -3.184776819e+00 3.00 -2.058908466e+00 -2.828733196e+00 -3.121913464e+00 3.02 -2.001405396e+00 -2.762043130e+00 -3.058690265e+00 3.04 -1.944816947e+00 -2.695296160e+00 -2.995466839e+00 3.06 -1.889150606e+00 -2.629431438e+00 -2.932358134e+00 3.08 -1.834409366e+00 -2.564937468e+00 -2.869452308e+00 3.10 -1.780591989e+00 -2.501847884e+00 -2.806828572e+00 3.12 -1.727693213e+00 -2.440182859e+00 -2.744549941e+00 3.14 -1.675703138e+00 -2.380024196e+00 -2.681892502e+00 3.16 -1.624585800e+00 -2.321477986e+00 -2.621154797e+00 3.18 -1.574255414e+00 -2.264619772e+00 -2.561483195e+00 3.20 -1.524971382e+00 -2.209749448e+00 -2.503742878e+00 3.22 -1.475828185e+00 -2.155717336e+00 -2.446012259e+00 3.24 -1.426577302e+00 -2.102968427e+00 -2.388866296e+00 3.26 -1.377395277e+00 -2.051607086e+00 -2.332329331e+00 3.28 -1.330473900e+00 -2.001853739e+00 -2.276419947e+00 3.30 -1.284964804e+00 -1.953860915e+00 -2.221151026e+00 3.32 -1.240890923e+00 -1.907692581e+00 -2.166529802e+00 3.34 -1.198236382e+00 -1.864112005e+00 -2.112557102e+00 3.36 -1.156976208e+00 -1.819746490e+00 -2.059327105e+00 3.38 -1.117262001e+00 -1.775635108e+00 -2.006956045e+00 3.40 -1.079456624e+00 -1.731754959e+00 -1.955455213e+00 3.42 -1.044395914e+00 -1.688077561e+00 -1.904833611e+00 3.44 -1.009934992e+00 -1.644568556e+00 -1.855097860e+00 3.46 -9.766032507e-01 -1.601187392e+00 -1.806252485e+00 3.48 -9.444014639e-01 -1.557886685e+00 -1.758300081e+00 3.50 -9.133498533e-01 -1.514615277e+00 -1.711241514e+00 3.52 -8.834733889e-01 -1.471140029e+00 -1.665076084e+00 3.54 -8.545738860e-01 -1.427278199e+00 -1.619801665e+00 3.56 -8.266117147e-01 -1.384346498e+00 -1.575414901e+00 3.58 -7.993057084e-01 -1.341848114e+00 -1.531911278e+00 3.60 -7.727919830e-01 -1.300407753e+00 -1.489285216e+00 3.62 -7.470592296e-01 -1.259828735e+00 -1.447547138e+00 3.64 -7.220887021e-01 -1.220042544e+00 -1.406302452e+00 3.66 -6.977946237e-01 -1.181016412e+00 -1.365798868e+00 3.68 -6.741452172e-01 -1.142968094e+00 -1.327648258e+00 3.70 -6.511231392e-01 -1.106083345e+00 -1.291961878e+00 3.72 -6.287107258e-01 -1.070353743e+00 -1.255709773e+00 3.74 -6.068899714e-01 -1.035781001e+00 -1.219982553e+00 3.76 -5.856424448e-01 -1.002367227e+00 -1.184730515e+00 3.78 -5.649493631e-01 -9.701159889e-01 -1.149989412e+00 3.80 -5.447915506e-01 -9.390325473e-01 -1.116011071e+00 3.82 -5.251493277e-01 -9.091240776e-01 -1.082849091e+00 3.84 -5.060025887e-01 -8.803993280e-01 -1.050489759e+00 3.86 -4.873306223e-01 -8.528606141e-01 -1.018922077e+00 3.88 -4.691124393e-01 -8.264220830e-01 -9.881346891e-01 3.90 -4.513267704e-01 -8.010718890e-01 -9.581159218e-01 3.92 -4.339471026e-01 -7.774324696e-01 -9.288538242e-01 3.94 -4.169515052e-01 -7.538608927e-01 -9.003362056e-01 3.96 -4.003283985e-01 -7.308750859e-01 -8.725506710e-01 3.98 -3.840801127e-01 -7.084612518e-01 -8.454846573e-01 4.00 -3.681461194e-01 -6.866053556e-01 -8.191254618e-01 4.02 -3.524662819e-01 -6.652930904e-01 -7.934602725e-01 4.04 -3.371260307e-01 -6.445099022e-01 -7.684761875e-01 4.06 -3.222470201e-01 -6.242410070e-01 -7.441602361e-01 4.08 -3.078677919e-01 -6.044712859e-01 -7.204994230e-01 4.10 -2.939746926e-01 -5.851854003e-01 -6.974807428e-01 4.12 -2.805591569e-01 -5.663676975e-01 -6.750911707e-01 4.14 -2.676186428e-01 -5.480021458e-01 -6.533176918e-01 4.16 -2.551344530e-01 -5.300725167e-01 -6.321473692e-01 4.18 -2.430847360e-01 -5.125620265e-01 -6.115672718e-01 4.20 -2.314564501e-01 -4.954536140e-01 -5.915645282e-01 4.22 -2.202412339e-01 -4.787299744e-01 -5.721263820e-01 4.24 -2.094257046e-01 -4.623736233e-01 -5.532400955e-01 4.26 -1.989959027e-01 -4.463613013e-01 -5.348930717e-01 4.28 -1.889454830e-01 -4.306791933e-01 -5.170727809e-01 4.30 -1.792637175e-01 -4.153175534e-01 -4.997668422e-01 4.32 -1.699366831e-01 -4.002597391e-01 -4.829627972e-01 4.34 -1.609507285e-01 -3.854659408e-01 -4.666488450e-01 4.36 -1.522962496e-01 -3.708928961e-01 -4.508132306e-01 4.38 -1.439797561e-01 -3.565811951e-01 -4.354408839e-01 4.40 -1.359826449e-01 -3.426307456e-01 -4.205196736e-01 4.42 -1.282898705e-01 -3.291027212e-01 -4.060470109e-01 4.44 -1.208880361e-01 -3.159994258e-01 -3.920319377e-01 4.46 -1.137550749e-01 -3.033115827e-01 -3.784377335e-01 4.48 -1.069429842e-01 -2.910363812e-01 -3.651695521e-01 4.50 -1.004775641e-01 -2.791661127e-01 -3.522537057e-01 4.52 -9.429324837e-02 -2.676822654e-01 -3.401136706e-01 4.54 -8.833550491e-02 -2.565678487e-01 -3.281683903e-01 4.56 -8.254975035e-02 -2.458175624e-01 -3.165237121e-01 4.58 -7.690600130e-02 -2.354223656e-01 -3.052390011e-01 4.60 -7.138949072e-02 -2.253699554e-01 -2.943097418e-01 4.62 -6.597820864e-02 -2.156502337e-01 -2.837344871e-01 4.64 -6.056606216e-02 -2.062613222e-01 -2.734967087e-01 4.66 -5.524860345e-02 -1.971924806e-01 -2.635790419e-01 4.68 -5.015096188e-02 -1.884301756e-01 -2.539745163e-01 4.70 -4.536355571e-02 -1.799611772e-01 -2.446774391e-01 4.72 -4.094850774e-02 -1.717855169e-01 -2.356771062e-01 4.74 -3.694509101e-02 -1.639079015e-01 -2.269627593e-01 4.76 -3.337466644e-02 -1.563117505e-01 -2.185317362e-01 4.78 -3.025228879e-02 -1.489796699e-01 -2.103776867e-01 4.80 -2.756985015e-02 -1.418946317e-01 -2.024885452e-01 4.82 -2.530689446e-02 -1.350535391e-01 -1.948517617e-01 4.84 -2.343918201e-02 -1.285007132e-01 -1.874597190e-01 4.86 -2.194049810e-02 -1.222618765e-01 -1.803228152e-01 4.88 -2.082924070e-02 -1.162823965e-01 -1.734305502e-01 4.90 -2.005474561e-02 -1.105119749e-01 -1.667663767e-01 4.92 -1.952856814e-02 -1.049089585e-01 -1.603138605e-01 4.94 -1.918005804e-02 -9.943917679e-02 -1.540614373e-01 4.96 -1.895359032e-02 -9.407245740e-02 -1.480183650e-01 4.98 -1.880619914e-02 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