# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Clement-A-Auger-T--Cu-Zn # implementation = 2022--Clement-A--Cu-Zn--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 2023-04-18 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 nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 6.930533246e+02 nan 0.84 nan nan nan nan nan nan nan nan 6.214875894e+02 nan 0.86 nan nan nan nan nan nan nan nan 5.577841209e+02 nan 0.88 nan nan nan nan nan nan nan nan 5.009958981e+02 nan 0.90 nan nan nan nan nan 4.004576369e+02 nan nan 4.503050980e+02 nan 0.92 nan nan nan nan nan 3.615477629e+02 nan nan 4.050019416e+02 nan 0.94 nan nan nan nan nan 3.266709591e+02 nan nan 3.644679006e+02 nan 0.96 nan nan nan nan nan 2.953664498e+02 nan nan 3.281617014e+02 nan 0.98 nan nan nan nan nan 2.672321634e+02 nan nan 2.956085182e+02 nan 1.00 nan nan nan nan nan 2.419172282e+02 nan nan 2.663916208e+02 nan 1.02 nan 3.599900034e+02 nan 6.333383138e+02 6.333662850e+02 2.191158252e+02 nan nan 2.401451230e+02 3.784635229e+02 1.04 nan 3.252422726e+02 nan 5.774271018e+02 5.774548594e+02 1.985598170e+02 3.430715937e+02 nan 2.165471501e+02 3.431254010e+02 1.06 nan 2.938895880e+02 nan 5.266354244e+02 5.266605520e+02 1.800118462e+02 3.107621741e+02 nan 1.953134003e+02 3.111841064e+02 1.08 nan 2.655807908e+02 nan 4.804593177e+02 4.804803320e+02 1.632599114e+02 2.815532695e+02 nan 1.761919944e+02 2.822891107e+02 1.10 nan 2.400044004e+02 nan 4.384489644e+02 4.384657410e+02 1.481139857e+02 2.551293826e+02 nan 1.589599636e+02 2.561307837e+02 1.12 nan 2.168842445e+02 nan 4.002014792e+02 4.002147707e+02 1.344051037e+02 2.312097863e+02 nan 1.434205491e+02 2.324341793e+02 1.14 nan 1.959746638e+02 nan 3.653559621e+02 3.653669055e+02 1.219848450e+02 2.095447304e+02 3.297574918e+02 1.294000597e+02 2.109535840e+02 1.16 3.335801157e+02 1.770558769e+02 2.867820093e+02 3.335896484e+02 3.335996771e+02 1.107230299e+02 1.899109798e+02 3.005787717e+02 1.167441045e+02 1.914691616e+02 1.18 3.046007134e+02 1.599311447e+02 2.612202317e+02 3.046140275e+02 3.046247237e+02 1.005045491e+02 1.721082541e+02 2.739949477e+02 1.053144029e+02 1.737851084e+02 1.20 2.781535272e+02 1.444246633e+02 2.379318791e+02 2.781706186e+02 2.781831644e+02 9.122718927e+01 1.559570960e+02 2.497647731e+02 9.498676525e+01 1.577278728e+02 1.22 2.540070257e+02 1.303788867e+02 2.167077000e+02 2.540268389e+02 2.540414980e+02 8.280009466e+01 1.412975349e+02 2.276711838e+02 8.564996920e+01 1.431432609e+02 1.24 2.319519827e+02 1.176524216e+02 1.973590180e+02 2.319727781e+02 2.319889218e+02 7.514208791e+01 1.279874039e+02 2.075180423e+02 7.720493072e+01 1.298928040e+02 1.26 2.117993460e+02 1.061187601e+02 1.797143466e+02 2.118191027e+02 2.118356264e+02 6.818005515e+01 1.158997854e+02 1.891279530e+02 6.956344514e+01 1.178506674e+02 1.28 1.933787067e+02 9.566454064e+01 1.636180246e+02 1.933953406e+02 1.934110627e+02 6.184779440e+01 1.049202991e+02 1.723406184e+02 6.264664083e+01 1.069019237e+02 1.30 1.765359398e+02 8.618737468e+01 1.489295918e+02 1.765477899e+02 1.765617316e+02 5.608534434e+01 9.494519593e+01 1.570111054e+02 5.638378035e+01 9.694223336e+01 1.32 1.611306226e+02 7.759447249e+01 1.355225644e+02 1.611372905e+02 1.611488634e+02 5.083857947e+01 8.588033999e+01 1.430082712e+02 5.071142545e+01 8.787794007e+01 1.34 1.470347707e+02 6.980223808e+01 1.232826851e+02 1.470375339e+02 1.470466007e+02 4.605892555e+01 7.764048192e+01 1.302136291e+02 4.557263031e+01 7.962549364e+01 1.36 1.341327635e+02 6.273574722e+01 1.121061382e+02 1.341339264e+02 1.341407116e+02 4.170292437e+01 7.014847406e+01 1.185203467e+02 4.091616023e+01 7.211027665e+01 1.38 1.223208389e+02 5.632751122e+01 1.018980331e+02 1.223225149e+02 1.223274344e+02 3.773148553e+01 6.333454073e+01 1.078319496e+02 3.669585356e+01 6.526534425e+01 1.40 1.115055289e+02 5.051612466e+01 9.257165690e+01 1.115088361e+02 1.115123477e+02 3.410917566e+01 5.713578295e+01 9.806086852e+01 3.287008182e+01 5.903026880e+01 1.42 1.016018988e+02 4.524550719e+01 8.404851824e+01 1.016069286e+02 1.016094708e+02 3.080390298e+01 5.149582567e+01 8.912730297e+01 2.940130993e+01 5.335019904e+01 1.44 9.253229178e+01 4.046476589e+01 7.625828335e+01 9.253856877e+01 9.254059496e+01 2.778682603e+01 4.636424239e+01 8.095854668e+01 2.625574720e+01 4.817520637e+01 1.46 8.422563087e+01 3.612820823e+01 6.913790895e+01 8.423258173e+01 8.423460814e+01 2.503211750e+01 4.169563439e+01 7.348849818e+01 2.340295995e+01 4.345990114e+01 1.48 7.661700482e+01 3.219503923e+01 6.263036652e+01 7.662414349e+01 7.662671565e+01 2.251657524e+01 3.744869627e+01 6.665705766e+01 2.081544799e+01 3.916314366e+01 1.50 6.964721341e+01 2.862867243e+01 5.668364305e+01 6.965411565e+01 6.965768173e+01 2.021928587e+01 3.358559689e+01 6.040942598e+01 1.846833893e+01 3.524763435e+01 1.52 6.326223277e+01 2.539594004e+01 5.125012777e+01 6.326850053e+01 6.327325801e+01 1.812160863e+01 3.007168568e+01 5.469553015e+01 1.633921914e+01 3.167943867e+01 1.54 5.741274421e+01 2.246649370e+01 4.628614758e+01 5.741803061e+01 5.742384079e+01 1.620655466e+01 2.687534367e+01 4.946965312e+01 1.440796178e+01 2.842763729e+01 1.56 5.205370824e+01 1.981250690e+01 4.175153169e+01 5.205780226e+01 5.206424532e+01 1.445843930e+01 2.396784088e+01 4.469012915e+01 1.265658372e+01 2.546407377e+01 1.58 4.714392440e+01 1.740861137e+01 3.760926362e+01 4.714687878e+01 4.715342947e+01 1.286281352e+01 2.132315358e+01 4.031900644e+01 1.106901528e+01 2.276308920e+01 1.60 4.264569208e+01 1.523187910e+01 3.382531220e+01 4.264789013e+01 4.265409600e+01 1.140636943e+01 1.891771942e+01 3.632173313e+01 9.630391499e+00 2.030130578e+01 1.62 3.852465300e+01 1.326168093e+01 3.036860702e+01 3.852669044e+01 3.853224849e+01 1.007692666e+01 1.673015218e+01 3.266690667e+01 8.327133359e+00 1.805752873e+01 1.64 3.474965200e+01 1.147939746e+01 2.721096358e+01 3.475206630e+01 3.475679984e+01 8.863393314e+00 1.474098900e+01 2.932600762e+01 7.146879484e+00 1.601264529e+01 1.66 3.129243067e+01 9.868077204e+00 2.432681904e+01 3.129546125e+01 3.129926935e+01 7.755638692e+00 1.293251647e+01 2.627304855e+01 6.078424569e+00 1.414938522e+01 1.68 2.812720150e+01 8.412153283e+00 2.169287564e+01 2.813072886e+01 2.813356058e+01 6.744348452e+00 1.128865938e+01 2.348418908e+01 5.111640126e+00 1.245200792e+01 1.70 2.523027420e+01 7.097410476e+00 1.928784639e+01 2.523392487e+01 2.523577742e+01 5.820977047e+00 9.794888675e+00 2.093741295e+01 4.237364400e+00 1.090609692e+01 1.72 2.257980088e+01 5.910890634e+00 1.709234977e+01 2.258310263e+01 2.258402115e+01 4.977801212e+00 8.438317403e+00 1.861230816e+01 3.447265901e+00 9.498701823e+00 1.74 2.015558142e+01 4.840504539e+00 1.508883232e+01 2.015808382e+01 2.015815544e+01 4.207960205e+00 7.207198341e+00 1.648994047e+01 2.733705539e+00 8.217913934e+00 1.76 1.793886851e+01 3.875217382e+00 1.326140346e+01 1.794022771e+01 1.793957853e+01 3.505391422e+00 6.090714825e+00 1.455280083e+01 2.089633759e+00 7.052870447e+00 1.78 1.591219477e+01 3.005050889e+00 1.159558559e+01 1.591225226e+01 1.591105197e+01 2.864683294e+00 5.078950283e+00 1.278480401e+01 1.508548200e+00 5.993724159e+00 1.80 1.405930121e+01 2.221085239e+00 1.007805220e+01 1.405814831e+01 1.405661099e+01 2.280922651e+00 4.162788903e+00 1.117130257e+01 9.845061798e-01 5.031521058e+00 1.82 1.236520176e+01 1.515414610e+00 8.696415545e+00 1.236318073e+01 1.236154639e+01 1.749582113e+00 3.333841060e+00 9.699067989e+00 5.121532075e-01 4.158089173e+00 1.84 1.081630183e+01 8.810310632e-01 7.439108615e+00 1.081391454e+01 1.081241141e+01 1.266447798e+00 2.584380642e+00 8.356198589e+00 8.672243325e-02 3.365942685e+00 1.86 9.400424090e+00 3.116678501e-01 6.295554612e+00 9.398186573e+00 9.396996519e+00 8.275735569e-01 1.907297769e+00 7.131987993e+00 -2.960121181e-01 2.648195528e+00 1.88 8.106672244e+00 -1.983444360e-01 5.255861114e+00 8.104992029e+00 8.104242244e+00 4.292571024e-01 1.296073270e+00 6.016902484e+00 -6.398146942e-01 1.998479694e+00 1.90 6.925259777e+00 -6.541795210e-01 4.310909904e+00 6.924385327e+00 6.924166809e+00 6.804092982e-02 7.447693103e-01 5.002038280e+00 -9.480777832e-01 1.410871726e+00 1.92 5.847395152e+00 -1.060579195e+00 3.452461083e+00 5.847434540e+00 5.847826179e+00 -2.592667257e-01 2.480178561e-01 4.079153019e+00 -1.223906449e+00 8.798406760e-01 1.94 4.864786996e+00 -1.421897885e+00 2.673118090e+00 4.865753208e+00 4.866826618e+00 -5.555717935e-01 -1.990113177e-01 3.240659695e+00 -1.470182656e+00 4.002360139e-01 1.96 3.969746204e+00 -1.742143446e+00 1.966234651e+00 3.971593215e+00 3.973394018e+00 -8.234979242e-01 -6.006665471e-01 2.479595224e+00 -1.689598573e+00 -3.267902356e-02 1.98 3.155186156e+00 -2.025019917e+00 1.325790728e+00 3.157818479e+00 3.160334029e+00 -1.065418431e+00 -9.608824541e-01 1.789577674e+00 -1.884659168e+00 -4.231736053e-01 2.00 2.414609303e+00 -2.273969863e+00 7.462741299e-01 2.417872379e+00 2.421003855e+00 -1.283501945e+00 -1.283245211e+00 1.164749813e+00 -2.057668546e+00 -7.750223476e-01 2.02 1.742072982e+00 -2.492209676e+00 2.225928867e-01 1.745745501e+00 1.749300389e+00 -1.479753525e+00 -1.571046161e+00 5.997218028e-01 -2.210719135e+00 -1.091538210e+00 2.04 1.132130224e+00 -2.682751107e+00 -2.499763246e-01 1.135935030e+00 1.139646259e+00 -1.656040552e+00 -1.827321786e+00 8.952287770e-02 -2.345694535e+00 -1.375658867e+00 2.06 5.797555344e-01 -2.848405568e+00 -6.758112628e-01 5.833908740e-01 5.869567142e-01 -1.816218707e+00 -2.054880083e+00 -3.704397924e-01 -2.464285160e+00 -1.630053150e+00 2.08 8.026998387e-02 -2.991773398e+00 -1.058949932e+00 8.345114173e-02 8.658284505e-02 -1.958979332e+00 -2.256315035e+00 -7.844213784e-01 -2.568573671e+00 -1.857214727e+00 2.10 -3.707191795e-01 -3.115225541e+00 -1.403091425e+00 -3.682205721e-01 -3.657562183e-01 -2.085665970e+00 -2.434014466e+00 -1.156377395e+00 -2.660969986e+00 -2.059522819e+00 2.12 -7.773501698e-01 -3.220887878e+00 -1.711602654e+00 -7.756788037e-01 -7.740307708e-01 -2.197826683e+00 -2.590169783e+00 -1.489988795e+00 -2.739944557e+00 -2.239260689e+00 2.14 -1.143502453e+00 -3.310637274e+00 -1.987536443e+00 -1.142709627e+00 -1.141932536e+00 -2.296830113e+00 -2.726793284e+00 -1.788665949e+00 -2.806944413e+00 -2.398592790e+00 2.16 -1.472766067e+00 -3.386113311e+00 -2.233659475e+00 -1.472818682e+00 -1.472881847e+00 -2.383885648e+00 -2.845740012e+00 -2.055537469e+00 -2.863277784e+00 -2.539516545e+00 2.18 -1.768409337e+00 -3.448743516e+00 -2.452484356e+00 -1.769213257e+00 -1.770024239e+00 -2.460044972e+00 -2.948725337e+00 -2.293441585e+00 -2.910119845e+00 -2.663817321e+00 2.20 -2.033369649e+00 -3.499776219e+00 -2.646300744e+00 -2.034798717e+00 -2.036232510e+00 -2.525713111e+00 -3.037332805e+00 -2.504935360e+00 -2.948514573e+00 -2.773051896e+00 2.22 -2.270275443e+00 -3.540314506e+00 -2.817203211e+00 -2.272197079e+00 -2.274121882e+00 -2.580829910e+00 -3.113015178e+00 -2.692324047e+00 -2.979096454e+00 -2.868566956e+00 2.24 -2.481489111e+00 -3.571816041e+00 -2.967115463e+00 -2.483781103e+00 -2.486075222e+00 -2.625511858e+00 -3.177095470e+00 -2.857701305e+00 -3.001632869e+00 -2.951539634e+00 2.26 -2.669154725e+00 -3.596398887e+00 -3.097811231e+00 -2.671712321e+00 -2.674271349e+00 -2.660036026e+00 -3.230771311e+00 -3.002988445e+00 -3.015958971e+00 -3.023021648e+00 2.28 -2.835239593e+00 -3.612058117e+00 -3.210932100e+00 -2.837974806e+00 -2.840710985e+00 -2.684799928e+00 -3.277357208e+00 -3.129964555e+00 -3.022124447e+00 -3.085856921e+00 2.30 -2.981566409e+00 -3.619823598e+00 -3.308002669e+00 -2.984402158e+00 -2.987238562e+00 -2.700287106e+00 -3.314588002e+00 -3.240284145e+00 -3.020341583e+00 -3.138603524e+00 2.32 -3.109836532e+00 -3.620634175e+00 -3.390443332e+00 -3.112698085e+00 -3.115560084e+00 -2.707037829e+00 -3.343390346e+00 -3.335483208e+00 -3.010942371e+00 -3.181662778e+00 2.34 -3.221645459e+00 -3.615349258e+00 -3.459581134e+00 -3.224451402e+00 -3.227257650e+00 -2.705625629e+00 -3.364731862e+00 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