# 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 = Cu # 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 -2.828709509e-01 nan 0.80 nan nan nan nan nan nan nan nan -3.104948518e+00 nan 0.82 nan nan nan nan nan nan nan nan -5.501785346e+00 nan 0.84 nan nan nan nan nan nan nan nan -7.519349504e+00 nan 0.86 nan nan nan nan nan -6.751394513e+00 nan nan -9.193201915e+00 nan 0.88 nan nan nan nan nan -7.744320074e+00 nan nan -1.058634493e+01 nan 0.90 nan nan nan nan nan -8.535298312e+00 nan nan -1.173096779e+01 nan 0.92 nan nan nan nan nan -9.136091951e+00 nan nan -1.266366712e+01 nan 0.94 nan nan nan nan nan -9.579758126e+00 nan nan -1.340937513e+01 nan 0.96 nan nan nan -3.936331173e+00 -3.928961635e+00 -9.879321983e+00 nan nan -1.397304321e+01 -1.164784337e+01 0.98 nan nan nan -6.282746532e+00 -6.278932614e+00 -1.004237370e+01 nan nan -1.437351756e+01 -1.278485427e+01 1.00 nan -1.575408428e+01 nan -8.329795639e+00 -8.328470941e+00 -1.009566391e+01 -1.448138458e+01 nan -1.464039725e+01 -1.373034602e+01 1.02 nan -1.649363127e+01 nan -1.012110211e+01 -1.012136508e+01 -1.004750648e+01 -1.527358000e+01 nan -1.479195975e+01 -1.449262282e+01 1.04 nan -1.708542018e+01 nan -1.167727725e+01 -1.167771768e+01 -9.915697396e+00 -1.591121673e+01 nan -1.484042309e+01 -1.510272947e+01 1.06 nan -1.754152088e+01 nan -1.301236435e+01 -1.301023053e+01 -9.729533125e+00 -1.640936622e+01 nan -1.480136159e+01 -1.557487030e+01 1.08 nan -1.787312695e+01 nan -1.415018122e+01 -1.414378709e+01 -9.499250154e+00 -1.678178402e+01 nan -1.468742524e+01 -1.592857872e+01 1.10 -1.514380605e+01 -1.810031658e+01 -1.640280183e+01 -1.512219185e+01 -1.511294615e+01 -9.215375172e+00 -1.704021120e+01 -1.602413065e+01 -1.450930391e+01 -1.616871599e+01 1.12 -1.596791044e+01 -1.823238936e+01 -1.702785141e+01 -1.594472203e+01 -1.593597438e+01 -8.883066521e+00 -1.720612520e+01 -1.670314933e+01 -1.426844000e+01 -1.629864748e+01 1.14 -1.665119012e+01 -1.827919127e+01 -1.751738621e+01 -1.663725319e+01 -1.663472957e+01 -8.507640686e+00 -1.727922596e+01 -1.725071843e+01 -1.396830866e+01 -1.633766597e+01 1.16 -1.719497760e+01 -1.824476499e+01 -1.789714889e+01 -1.719992529e+01 -1.720177004e+01 -8.100784572e+00 -1.726486058e+01 -1.768436991e+01 -1.361586195e+01 -1.631134930e+01 1.18 -1.762843311e+01 -1.814274796e+01 -1.818216039e+01 -1.764597309e+01 -1.764805337e+01 -7.666862249e+00 -1.717820651e+01 -1.802197063e+01 -1.322046161e+01 -1.622305068e+01 1.20 -1.797478362e+01 -1.797689046e+01 -1.839467951e+01 -1.799237399e+01 -1.799370083e+01 -7.214269695e+00 -1.702743412e+01 -1.827378039e+01 -1.278632360e+01 -1.606785950e+01 1.22 -1.824404453e+01 -1.775607872e+01 -1.852344113e+01 -1.825101741e+01 -1.825042930e+01 -6.745632373e+00 -1.682146341e+01 -1.844676271e+01 -1.231993870e+01 -1.586373873e+01 1.24 -1.842854712e+01 -1.748270907e+01 -1.857409905e+01 -1.842552744e+01 -1.842133707e+01 -6.261291724e+00 -1.656592197e+01 -1.854201467e+01 -1.182841793e+01 -1.561909883e+01 1.26 -1.853997765e+01 -1.717131898e+01 -1.856439716e+01 -1.852198118e+01 -1.851446253e+01 -5.767864938e+00 -1.627224485e+01 -1.856515332e+01 -1.131634386e+01 -1.532676846e+01 1.28 -1.857696914e+01 -1.681878380e+01 -1.849341808e+01 -1.854999575e+01 -1.854064189e+01 -5.268473984e+00 -1.594724226e+01 -1.851692094e+01 -1.078759741e+01 -1.498700378e+01 1.30 -1.854334420e+01 -1.643178832e+01 -1.836398132e+01 -1.852210212e+01 -1.851371025e+01 -4.762287185e+00 -1.558841268e+01 -1.840766354e+01 -1.024610231e+01 -1.460484160e+01 1.32 -1.845359177e+01 -1.600917726e+01 -1.818317001e+01 -1.844269389e+01 -1.843578045e+01 -4.246672927e+00 -1.519400226e+01 -1.824844080e+01 -9.693624286e+00 -1.418582776e+01 1.34 -1.831005288e+01 -1.555523465e+01 -1.795686933e+01 -1.831134593e+01 -1.830743348e+01 -3.727473073e+00 -1.476192550e+01 -1.804634818e+01 -9.131833415e+00 -1.374153206e+01 1.36 -1.812072813e+01 -1.508092550e+01 -1.768087201e+01 -1.813107784e+01 -1.813199658e+01 -3.207249089e+00 -1.430082445e+01 -1.780164272e+01 -8.563857789e+00 -1.327919926e+01 1.38 -1.789391739e+01 -1.458791300e+01 -1.736492356e+01 -1.790812825e+01 -1.791235015e+01 -2.690087535e+00 -1.381582589e+01 -1.752069883e+01 -7.992034169e+00 -1.280346709e+01 1.40 -1.762987685e+01 -1.407550506e+01 -1.701960658e+01 -1.764468337e+01 -1.764972277e+01 -2.180305667e+00 -1.331274616e+01 -1.720848949e+01 -7.418700007e+00 -1.231097452e+01 1.42 -1.733554615e+01 -1.354962756e+01 -1.665696999e+01 -1.734644238e+01 -1.734997532e+01 -1.683678083e+00 -1.279507479e+01 -1.686894822e+01 -6.843694554e+00 -1.180497054e+01 1.44 -1.701668277e+01 -1.301066038e+01 -1.627392559e+01 -1.701942537e+01 -1.702040479e+01 -1.198548570e+00 -1.226550575e+01 -1.650696806e+01 -6.268814784e+00 -1.128732066e+01 1.46 -1.667518419e+01 -1.245581062e+01 -1.586971481e+01 -1.666827828e+01 -1.666670161e+01 -7.243896251e-01 -1.172339597e+01 -1.612082720e+01 -5.691138572e+00 -1.076217359e+01 1.48 -1.630544654e+01 -1.188805586e+01 -1.544258466e+01 -1.629386357e+01 -1.629029300e+01 -2.547279024e-01 -1.117242844e+01 -1.571041648e+01 -5.111889679e+00 -1.023153941e+01 1.50 -1.591213342e+01 -1.131342152e+01 -1.499558068e+01 -1.589919791e+01 -1.589357956e+01 2.121736278e-01 -1.061745891e+01 -1.527915034e+01 -4.533605366e+00 -9.697550807e+00 1.52 -1.549736909e+01 -1.073637565e+01 -1.453569543e+01 -1.548365154e+01 -1.547586579e+01 6.734041895e-01 -1.006009420e+01 -1.482817260e+01 -3.959611472e+00 -9.159186833e+00 1.54 -1.506467686e+01 -1.015378366e+01 -1.406072079e+01 -1.504964632e+01 -1.504002317e+01 1.128115502e+00 -9.502222608e+00 -1.435886764e+01 -3.390186404e+00 -8.617943987e+00 1.56 -1.461034927e+01 -9.565820289e+00 -1.356527988e+01 -1.459745035e+01 -1.458770681e+01 1.579122925e+00 -8.945247252e+00 -1.387264357e+01 -2.827800722e+00 -8.068070139e+00 1.58 -1.413944223e+01 -8.976651229e+00 -1.305377485e+01 -1.413052268e+01 -1.412268569e+01 2.024935071e+00 -8.386768019e+00 -1.337144181e+01 -2.274770388e+00 -7.512633912e+00 1.60 -1.365500958e+01 -8.389344747e+00 -1.252933778e+01 -1.365183174e+01 -1.364770225e+01 2.465521717e+00 -7.825596549e+00 -1.285947890e+01 -1.729549043e+00 -6.953822677e+00 1.62 -1.316184697e+01 -7.803042786e+00 -1.199618038e+01 -1.316331544e+01 -1.316229550e+01 2.899773769e+00 -7.260712743e+00 -1.234122948e+01 -1.191066494e+00 -6.394580579e+00 1.64 -1.266101767e+01 -7.214895041e+00 -1.145896745e+01 -1.266589008e+01 -1.266756407e+01 3.326189357e+00 -6.694135491e+00 -1.181622379e+01 -6.607777187e-01 -5.838133980e+00 1.66 -1.214848230e+01 -6.627184028e+00 -1.091982085e+01 -1.215898589e+01 -1.216341402e+01 3.743543854e+00 -6.128016119e+00 -1.128565888e+01 -1.395814929e-01 -5.287758613e+00 1.68 -1.162798163e+01 -6.042808331e+00 -1.037635362e+01 -1.164311241e+01 -1.164942858e+01 3.296811479e+00 -5.565058687e+00 -1.075220703e+01 3.715985407e-01 -4.746874832e+00 1.70 -1.110348072e+01 -5.464701209e+00 -9.828690162e+00 -1.112124795e+01 -1.112850003e+01 2.806901505e+00 -5.006975066e+00 -1.021796156e+01 8.728464452e-01 -4.213137512e+00 1.72 -1.057903928e+01 -4.895357226e+00 -9.280238774e+00 -1.059583957e+01 -1.060296974e+01 2.345747730e+00 -4.452955571e+00 -9.683967312e+00 1.235753306e+00 -3.682600937e+00 1.74 -1.005890175e+01 -4.332401840e+00 -8.732089591e+00 -1.006888587e+01 -1.007469796e+01 1.912594034e+00 -3.904721215e+00 -9.151070194e+00 8.326854639e-01 -3.157468016e+00 1.76 -9.542063949e+00 -3.773458726e+00 -8.183794657e+00 -9.541728346e+00 -9.545310466e+00 1.508344314e+00 -3.363162991e+00 -8.618457159e+00 4.577257059e-01 -2.638141944e+00 1.78 -9.020534554e+00 -3.219136485e+00 -7.638206471e+00 -9.012814159e+00 -9.014108796e+00 1.131281582e+00 -2.828729324e+00 -8.083679775e+00 1.100260874e-01 -2.122644743e+00 1.80 -8.496639697e+00 -2.671176683e+00 -7.098299353e+00 -8.484634013e+00 -8.483568540e+00 7.796576798e-01 -2.301860465e+00 -7.549221848e+00 -2.113489019e-01 -1.612400028e+00 1.82 -7.972903514e+00 -2.131300609e+00 -6.567018565e+00 -7.957957923e+00 -7.954445084e+00 4.517004838e-01 -1.783848937e+00 -7.015338488e+00 -5.079608902e-01 -1.108874747e+00 1.84 -7.448285917e+00 -1.600063119e+00 -6.043035026e+00 -7.433310137e+00 -7.428142911e+00 1.456025610e-01 -1.273794338e+00 -6.483051390e+00 -7.815503480e-01 -6.123406337e-01 1.86 -6.923382923e+00 -1.078508382e+00 -5.522482001e+00 -6.910684112e+00 -6.904544525e+00 -1.389271098e-01 -7.689778185e-01 -5.954107158e+00 -1.033162704e+00 -1.236240238e-01 1.88 -6.400251941e+00 -1.025947812e+00 -5.001640551e+00 -6.389969876e+00 -6.382854632e+00 -4.010965956e-01 -2.700755803e-01 -5.427998724e+00 -1.262858829e+00 3.554542079e-01 1.90 -5.880862826e+00 -1.319473748e+00 -4.482033652e+00 -5.872243971e+00 -5.864139950e+00 -6.422515057e-01 -3.770925728e-01 -4.905033737e+00 -1.471937334e+00 9.346257380e-02 1.92 -5.364010234e+00 -1.585405102e+00 -3.965146829e+00 -5.357366815e+00 -5.348654205e+00 -8.637258808e-01 -6.833911590e-01 -4.385371483e+00 -1.662045377e+00 -2.343487260e-01 1.94 -4.849766944e+00 -1.825593237e+00 -3.451793256e+00 -4.845996808e+00 -4.837297110e+00 -1.066447100e+00 -9.651478335e-01 -3.870018991e+00 -1.834704331e+00 -5.372749281e-01 1.96 -4.339683915e+00 -2.042121863e+00 -2.941589866e+00 -4.339500828e+00 -4.331504779e+00 -1.250299596e+00 -1.224468400e+00 -3.360476561e+00 -1.990644229e+00 -8.172943834e-01 1.98 -3.835316252e+00 -2.237005450e+00 -2.435552857e+00 -3.838018640e+00 -3.831503890e+00 -1.416216881e+00 -1.462674081e+00 -2.857785596e+00 -2.130283126e+00 -1.076383629e+00 2.00 -3.337524959e+00 -2.412200994e+00 -1.934738363e+00 -3.341933200e+00 -3.337784702e+00 -1.565155486e+00 -1.680819499e+00 -2.361911664e+00 -2.254251770e+00 -1.316072204e+00 2.02 -2.844431905e+00 -2.569620916e+00 -1.440173731e+00 -2.850978083e+00 -2.850212369e+00 -1.698020691e+00 -1.880443059e+00 -1.871907154e+00 -2.363172604e+00 -1.535690458e+00 2.04 -2.356799964e+00 -2.711147811e+00 -1.056607471e+00 -2.365386942e+00 -2.368352374e+00 -1.816447369e+00 -2.063246199e+00 -1.388547460e+00 -2.457785426e+00 -1.736448786e+00 2.06 -1.875783966e+00 -2.837585600e+00 -1.326369753e+00 -1.884960035e+00 -1.890720272e+00 -1.921916308e+00 -2.229339708e+00 -1.112478473e+00 -2.539038515e+00 -1.919905511e+00 2.08 -1.402555930e+00 -2.949107821e+00 -1.574772073e+00 -1.410702768e+00 -1.418238716e+00 -2.015456889e+00 -2.379447385e+00 -1.382130725e+00 -2.607815237e+00 -2.087616063e+00 2.10 -1.111740585e+00 -3.046589725e+00 -1.803956933e+00 -1.116212075e+00 -1.122326730e+00 -2.098085990e+00 -2.515005376e+00 -1.629978283e+00 -2.664966576e+00 -2.241113413e+00 2.12 -1.379112428e+00 -3.130721555e+00 -2.013443182e+00 -1.381489063e+00 -1.387881802e+00 -2.169518185e+00 -2.637043180e+00 -1.855912145e+00 -2.711874231e+00 -2.379574572e+00 2.14 -1.623347835e+00 -3.202369777e+00 -2.203434252e+00 -1.624377455e+00 -1.630860692e+00 -2.229791237e+00 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