# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu # implementation = 2004--Zhou-X-W--Cu--LAMMPS--ipr2 # 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 5.795584691e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.205455718e+02 nan 0.76 nan nan nan nan nan nan nan nan 4.682142468e+02 nan 0.78 nan nan nan nan nan 3.633798192e+02 nan nan 4.216898460e+02 nan 0.80 nan nan nan nan nan 3.280055151e+02 nan nan 3.802105065e+02 nan 0.82 nan nan nan nan nan 2.964381706e+02 nan nan 3.431391362e+02 nan 0.84 nan nan nan nan nan 2.682160660e+02 nan nan 3.099522900e+02 nan 0.86 nan nan nan nan nan 2.429313459e+02 nan nan 2.802056536e+02 nan 0.88 nan nan nan 5.928795672e+02 5.928668305e+02 2.202295017e+02 nan nan 2.535110966e+02 3.772957457e+02 0.90 nan 3.365823492e+02 nan 5.421916590e+02 5.421867613e+02 1.998089347e+02 3.469717046e+02 nan 2.295249150e+02 3.433103407e+02 0.92 nan 3.059709995e+02 nan 4.962434370e+02 4.962560771e+02 1.814101864e+02 3.158387366e+02 nan 2.079425238e+02 3.125850712e+02 0.94 nan 2.782927415e+02 nan 4.545274806e+02 4.545585407e+02 1.648116157e+02 2.876505646e+02 nan 1.884966734e+02 2.847902346e+02 0.96 nan 2.532425349e+02 nan 4.165955237e+02 4.166369528e+02 1.498295683e+02 2.620971774e+02 nan 1.709550521e+02 2.596317536e+02 0.98 nan 2.305497912e+02 nan 3.820603636e+02 3.820987028e+02 1.363074934e+02 2.389202411e+02 nan 1.551140464e+02 2.368327859e+02 1.00 nan 2.099683245e+02 3.100395845e+02 3.505875172e+02 3.506103313e+02 1.240999657e+02 2.178865800e+02 3.221632004e+02 1.407912304e+02 2.161396947e+02 1.02 3.219077366e+02 1.912761913e+02 2.841936429e+02 3.218807822e+02 3.218825519e+02 1.130620409e+02 1.987790483e+02 2.954581374e+02 1.278227790e+02 1.973333111e+02 1.04 2.957185968e+02 1.742785450e+02 2.606231018e+02 2.956711115e+02 2.956542457e+02 1.030527013e+02 1.814025064e+02 2.710759056e+02 1.160660572e+02 1.802257117e+02 1.06 2.717582082e+02 1.588084478e+02 2.390832461e+02 2.717124713e+02 2.716847133e+02 9.394861319e+01 1.655877182e+02 2.487839017e+02 1.054004162e+02 1.646486978e+02 1.08 2.498119291e+02 1.447200087e+02 2.193671532e+02 2.497839635e+02 2.497557749e+02 8.565153822e+01 1.511849087e+02 2.283817260e+02 9.572183137e+01 1.504482438e+02 1.10 2.296946055e+02 1.318815282e+02 2.012993249e+02 2.296913997e+02 2.296735071e+02 7.808350914e+01 1.380559458e+02 2.096953453e+02 8.693563737e+01 1.374873358e+02 1.12 2.112435880e+02 1.201738883e+02 1.847323993e+02 2.112648323e+02 2.112647708e+02 7.117977212e+01 1.260735236e+02 1.925716382e+02 7.895334975e+01 1.256504867e+02 1.14 1.943127290e+02 1.094895720e+02 1.695420870e+02 1.943527405e+02 1.943720791e+02 6.488511768e+01 1.151255263e+02 1.768732250e+02 7.169338459e+01 1.148418329e+02 1.16 1.787667629e+02 9.973226634e+01 1.556156071e+02 1.788172172e+02 1.788517760e+02 5.915049014e+01 1.051176389e+02 1.624741799e+02 6.508350563e+01 1.049761379e+02 1.18 1.644823182e+02 9.081912548e+01 1.428438386e+02 1.645339204e+02 1.645762951e+02 5.392919925e+01 9.596943327e+01 1.492595403e+02 5.906123400e+01 9.597023019e+01 1.20 1.513512249e+02 8.267853906e+01 1.311225443e+02 1.513937515e+02 1.514358127e+02 4.917460305e+01 8.760771956e+01 1.371257592e+02 5.357194955e+01 8.774000668e+01 1.22 1.392772790e+02 7.524420577e+01 1.203575088e+02 1.393015629e+02 1.393362820e+02 4.484040677e+01 7.996276180e+01 1.259790021e+02 4.856728205e+01 8.020447563e+01 1.24 1.281699228e+02 6.845227045e+01 1.104664812e+02 1.281721420e+02 1.281948001e+02 4.088300546e+01 7.296875963e+01 1.157327861e+02 4.400420673e+01 7.329197877e+01 1.26 1.179430601e+02 6.224350056e+01 1.013773840e+02 1.179271263e+02 1.179358315e+02 3.726430682e+01 6.656492428e+01 1.063079002e+02 3.984359865e+01 6.694301851e+01 1.28 1.085187801e+02 5.656519943e+01 9.302395468e+01 1.084936262e+02 1.084890567e+02 3.395232592e+01 6.069571285e+01 9.763305892e+01 3.604901731e+01 6.110884552e+01 1.30 9.982917783e+01 5.136949225e+01 8.534198897e+01 9.980361839e+01 9.978822469e+01 3.091918344e+01 5.531082033e+01 8.964440491e+01 3.258646805e+01 5.574863009e+01 1.32 9.181428410e+01 4.661128797e+01 7.826953856e+01 9.179375307e+01 9.177088315e+01 2.813912752e+01 5.036596602e+01 8.228411179e+01 2.942479276e+01 5.082639477e+01 1.34 8.441940834e+01 4.224847566e+01 7.175096513e+01 8.440592330e+01 8.437935664e+01 2.558858582e+01 4.582363747e+01 7.549951100e+01 2.653624453e+01 4.630865028e+01 1.36 7.759422908e+01 3.824412734e+01 6.573914161e+01 7.758785058e+01 7.756172469e+01 2.324669381e+01 4.165206683e+01 6.924320757e+01 2.389651615e+01 4.216347198e+01 1.38 7.129249773e+01 3.456794417e+01 6.019440591e+01 7.129262716e+01 7.127133654e+01 2.109548075e+01 3.782285183e+01 6.347277827e+01 2.148394040e+01 3.836045158e+01 1.40 6.547220171e+01 3.119533394e+01 5.508201544e+01 6.547788231e+01 6.546543811e+01 1.911949844e+01 3.430908210e+01 5.814971769e+01 1.927861946e+01 3.487109726e+01 1.42 6.009508581e+01 2.810493622e+01 5.037047862e+01 6.010488766e+01 6.010387022e+01 1.730544147e+01 3.108486873e+01 5.323842167e+01 1.726240226e+01 3.166875796e+01 1.44 5.512645023e+01 2.527615062e+01 4.603039701e+01 5.513846245e+01 5.514913167e+01 1.564155511e+01 2.812573831e+01 4.870589289e+01 1.541916787e+01 2.872899881e+01 1.46 5.053465727e+01 2.268814338e+01 4.203321808e+01 5.054695271e+01 5.056719969e+01 1.411664686e+01 2.540920716e+01 4.452188755e+01 1.373476858e+01 2.602969224e+01 1.48 4.629046257e+01 2.032036758e+01 3.835063890e+01 4.630182615e+01 4.632805143e+01 1.271940919e+01 2.291501237e+01 4.065887323e+01 1.219648242e+01 2.355065552e+01 1.50 4.236636380e+01 1.815376188e+01 3.495505330e+01 4.237702193e+01 4.240540584e+01 1.143843603e+01 2.062500898e+01 3.709187503e+01 1.079248027e+01 2.127307471e+01 1.52 3.873712785e+01 1.617144174e+01 3.182082647e+01 3.874839657e+01 3.877573333e+01 1.026277163e+01 1.852268253e+01 3.379861705e+01 9.511533365e+00 1.917953623e+01 1.54 3.538034956e+01 1.435849811e+01 2.892532028e+01 3.539355966e+01 3.541753007e+01 9.182285351e+00 1.659273671e+01 3.075943162e+01 8.343090605e+00 1.725437172e+01 1.56 3.227650502e+01 1.270129885e+01 2.624880829e+01 3.229190113e+01 3.231097827e+01 8.187604962e+00 1.482091475e+01 2.795669027e+01 7.277475890e+00 1.548351675e+01 1.58 2.940829255e+01 1.118678511e+01 2.377379506e+01 2.942467803e+01 2.943796549e+01 7.269908727e+00 1.319421162e+01 2.537393990e+01 6.306036724e+00 1.385425840e+01 1.60 2.675991266e+01 9.802246596e+00 2.148473457e+01 2.677504973e+01 2.678213632e+01 6.421160184e+00 1.170097776e+01 2.299512909e+01 5.421019254e+00 1.235498040e+01 1.62 2.431636192e+01 8.535352212e+00 1.936831804e+01 2.432766872e+01 2.432851633e+01 5.634767757e+00 1.033088438e+01 2.080407549e+01 4.615237733e+00 1.097527777e+01 1.64 2.206300827e+01 7.374462696e+00 1.741349121e+01 2.206811882e+01 2.206299740e+01 4.905867227e+00 9.074635432e+00 1.878458083e+01 3.881757329e+00 9.706151853e+00 1.66 1.998486549e+01 6.308991061e+00 1.561094501e+01 1.998221122e+01 1.997174204e+01 4.231082618e+00 7.923719564e+00 1.692077967e+01 3.213752635e+00 8.539824974e+00 1.68 1.806640268e+01 5.329821082e+00 1.395213120e+01 1.805578969e+01 1.804104575e+01 3.607935446e+00 6.870186285e+00 1.519795213e+01 2.604686004e+00 7.469362656e+00 1.70 1.629222001e+01 4.429640154e+00 1.242831576e+01 1.627504193e+01 1.625754085e+01 3.034206406e+00 5.906507418e+00 1.360321262e+01 2.048627274e+00 6.488374315e+00 1.72 1.464820580e+01 3.602838751e+00 1.103007017e+01 1.462719944e+01 1.460876492e+01 2.507578676e+00 5.025503820e+00 1.212585188e+01 1.540590654e+00 5.590781072e+00 1.74 1.312258055e+01 2.845095057e+00 9.747114416e+00 1.310107874e+01 1.308357696e+01 2.025321504e+00 4.220250148e+00 1.075718696e+01 1.076539273e+00 4.770691562e+00 1.76 1.170604706e+01 2.152845520e+00 8.568781520e+00 1.168715451e+01 1.167227299e+01 1.584228397e+00 3.484138026e+00 9.490000099e+00 6.532061353e-01 4.022248233e+00 1.78 1.039127244e+01 1.522830239e+00 7.484768510e+00 1.037731135e+01 1.036644444e+01 1.180722011e+00 2.811053873e+00 8.317972161e+00 2.677871545e-01 3.339575911e+00 1.80 9.172055482e+00 9.518172965e-01 6.485877581e+00 9.164400221e+00 9.158615371e+00 8.111897130e-01 2.195559405e+00 7.235396838e+00 -8.234869512e-02 2.716705244e+00 1.82 8.042800760e+00 4.364654061e-01 5.564348671e+00 8.041997564e+00 8.041990505e+00 4.722886743e-01 1.632993559e+00 6.237048591e+00 -3.998741988e-01 2.147745588e+00 1.84 6.998355629e+00 -2.674058390e-02 4.713853588e+00 7.004294326e+00 7.010300903e+00 1.611460046e-01 1.119402866e+00 5.318110771e+00 -6.875714882e-01 1.627204127e+00 1.86 6.034067784e+00 -4.415115946e-01 3.929178316e+00 6.046040117e+00 6.057703958e+00 -1.246440813e-01 6.513624725e-01 4.474092429e+00 -9.482400870e-01 1.150463258e+00 1.88 5.145743103e+00 -8.117946271e-01 3.205810684e+00 5.162514134e+00 5.178851229e+00 -3.871466031e-01 2.257585843e-01 3.700611396e+00 -1.184556854e+00 7.139444472e-01 1.90 4.329528015e+00 -1.141704044e+00 2.539615374e+00 4.349403621e+00 4.368858845e+00 -6.282230667e-01 -1.603314033e-01 2.993276906e+00 -1.398940803e+00 3.149890973e-01 1.92 3.581651830e+00 -1.435458861e+00 1.926685031e+00 3.602644656e+00 3.623292367e+00 -8.495979392e-01 -5.097473606e-01 2.347561578e+00 -1.593486583e+00 -4.853494968e-02 1.94 2.898061217e+00 -1.697250909e+00 1.363278832e+00 2.918170116e+00 2.938014470e+00 -1.052873368e+00 -8.252899628e-01 1.758842491e+00 -1.769977091e+00 -3.787527528e-01 1.96 2.274296832e+00 -1.931027974e+00 8.459787372e-01 2.291759507e+00 2.309029331e+00 -1.239423046e+00 -1.109653232e+00 1.222413859e+00 -1.929911984e+00 -6.780526953e-01 1.98 1.705404562e+00 -2.140317026e+00 3.717037700e-01 1.718936786e+00 1.732326755e+00 -1.410365089e+00 -1.365434110e+00 7.335773007e-01 -2.074591460e+00 -9.492587192e-01 2.00 1.186170563e+00 -2.328084568e+00 -6.225448247e-02 1.195062376e+00 1.203855673e+00 -1.566831780e+00 -1.595104639e+00 2.878042588e-01 -2.205196070e+00 -1.195472830e+00 2.02 7.115033978e-01 -2.496691992e+00 -4.582862300e-01 7.156303913e-01 7.196898826e-01 -1.710290609e+00 -1.801067027e+00 -1.190619915e-01 -2.322811986e+00 -1.419756408e+00 2.04 2.768262110e-01 -2.647938554e+00 -8.185532660e-01 2.765209109e-01 2.761696271e-01 -1.840177167e+00 -1.985676734e+00 -4.906398598e-01 -2.428448977e+00 -1.624786798e+00 2.06 -1.216958238e-01 -2.783190308e+00 -1.145123110e+00 -1.258153073e-01 -1.299660353e-01 -1.956043507e+00 -2.151225039e+00 -8.299641086e-01 -2.523904166e+00 -1.812671511e+00 2.08 -4.871230004e-01 -2.903487171e+00 -1.439980337e+00 -4.943277018e-01 -5.015536251e-01 -2.057752823e+00 -2.299898549e+00 -1.139545245e+00 -2.609753573e+00 -1.984912949e+00 2.10 -8.218995424e-01 -3.009686494e+00 -1.705099896e+00 -8.314730466e-01 -8.410609813e-01 -2.145477192e+00 -2.433708440e+00 -1.421563959e+00 -2.685391250e+00 -2.142570105e+00 2.12 -1.128061423e+00 -3.102575014e+00 -1.942436105e+00 -1.139361957e+00 -1.150674824e+00 -2.219617395e+00 -2.554443779e+00 -1.677974606e+00 -2.750476472e+00 -2.286440207e+00 2.14 -1.407429418e+00 -3.182893875e+00 -2.153911051e+00 -1.419909257e+00 -1.432397536e+00 -2.280727518e+00 -2.663613522e+00 -1.910652672e+00 -2.804884325e+00 -2.417218014e+00 2.16 -1.661749365e+00 -3.251428945e+00 -2.341405920e+00 -1.674919459e+00 -1.688095347e+00 -2.329519479e+00 -2.762419184e+00 -2.121446780e+00 -2.848635595e+00 -2.535597631e+00 2.18 -1.892757734e+00 -3.308975311e+00 -2.506763073e+00 -1.906152526e+00 -1.919547150e+00 -2.366813770e+00 -2.851737709e+00 -2.312150720e+00 -2.881894002e+00 -2.642319291e+00 2.20 -2.102280049e+00 -3.356371210e+00 -2.651797233e+00 -2.115390972e+00 -2.128501763e+00 -2.393401803e+00 -2.932150284e+00 -2.484433712e+00 -2.904943401e+00 -2.738172994e+00 2.22 -2.292087833e+00 -3.394472481e+00 -2.778297779e+00 -2.304354917e+00 -2.316621897e+00 -2.410043053e+00 -3.004018529e+00 -2.639810183e+00 -2.918284358e+00 -2.823969636e+00 2.24 -2.463913265e+00 -3.425002841e+00 -2.888083745e+00 -2.474728277e+00 -2.485543210e+00 -2.417494115e+00 -3.067750080e+00 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