# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--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 2024-11-27 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 -1.347399316e+02 nan 0.76 nan nan nan nan nan nan nan nan -1.519473408e+02 nan 0.78 nan nan nan nan nan nan nan nan -1.652886850e+02 nan 0.80 nan nan nan nan nan -1.355297157e+02 nan nan -1.732871422e+02 nan 0.82 nan nan nan nan nan -1.425860468e+02 nan nan -1.738186493e+02 nan 0.84 nan nan nan nan nan -1.431788552e+02 nan nan -1.699033204e+02 nan 0.86 nan nan nan nan nan -1.405085499e+02 nan nan -1.657468345e+02 nan 0.88 nan nan nan nan nan -1.366495398e+02 nan nan -1.612710076e+02 nan 0.90 nan -1.974618350e+02 nan -2.403930672e+02 -2.407144303e+02 -1.338822087e+02 nan nan -1.565038775e+02 -1.958663748e+02 0.92 nan -1.900925506e+02 nan -2.337501786e+02 -2.332546904e+02 -1.312474234e+02 -1.940001780e+02 nan -1.525100710e+02 -1.915766557e+02 0.94 nan -1.833635179e+02 nan -2.269850327e+02 -2.265230612e+02 -1.246166467e+02 -1.888927066e+02 nan -1.485848175e+02 -1.834462188e+02 0.96 nan -1.775500355e+02 nan -2.207417507e+02 -2.212156536e+02 -1.140371387e+02 -1.827824151e+02 nan -1.431687373e+02 -1.729065459e+02 0.98 nan -1.715021917e+02 nan -2.132895707e+02 -2.143244568e+02 -1.025983041e+02 -1.742957411e+02 nan -1.362189361e+02 -1.645933547e+02 1.00 nan -1.650288569e+02 nan -2.044817636e+02 -2.047587463e+02 -9.186980394e+01 -1.644345309e+02 nan -1.292257047e+02 -1.595001668e+02 1.02 -1.947628492e+02 -1.588063727e+02 -1.864161517e+02 -1.964693087e+02 -1.954420484e+02 -8.201820137e+01 -1.557689753e+02 -1.918656842e+02 -1.228276935e+02 -1.551716496e+02 1.04 -1.928475949e+02 -1.529669107e+02 -1.829320830e+02 -1.901008270e+02 -1.882666883e+02 -7.277718621e+01 -1.490318254e+02 -1.882469002e+02 -1.168652406e+02 -1.510806604e+02 1.06 -1.895874516e+02 -1.475399972e+02 -1.780905468e+02 -1.840318539e+02 -1.819669028e+02 -6.403491030e+01 -1.442793798e+02 -1.825093270e+02 -1.113965865e+02 -1.474725768e+02 1.08 -1.832194179e+02 -1.425946171e+02 -1.731944650e+02 -1.778146947e+02 -1.762067058e+02 -5.606923757e+01 -1.415197504e+02 -1.743602351e+02 -1.063202780e+02 -1.423693739e+02 1.10 -1.745979754e+02 -1.375184847e+02 -1.679612488e+02 -1.723905298e+02 -1.719507411e+02 -4.871706797e+01 -1.393036631e+02 -1.651400654e+02 -1.012053796e+02 -1.350728978e+02 1.12 -1.653034681e+02 -1.318968301e+02 -1.612178807e+02 -1.677218081e+02 -1.687272472e+02 -4.138943129e+01 -1.354107516e+02 -1.567823026e+02 -9.574003530e+01 -1.277477730e+02 1.14 -1.568709172e+02 -1.264686777e+02 -1.531105362e+02 -1.623976261e+02 -1.646313773e+02 -3.456877471e+01 -1.293791999e+02 -1.501137189e+02 -8.978372475e+01 -1.223503298e+02 1.16 -1.499555288e+02 -1.222668421e+02 -1.443537786e+02 -1.558291195e+02 -1.587427657e+02 -2.949901804e+01 -1.228740843e+02 -1.447323117e+02 -8.350973198e+01 -1.189691094e+02 1.18 -1.446117258e+02 -1.193330450e+02 -1.365133132e+02 -1.488804380e+02 -1.515986222e+02 -2.694702078e+01 -1.174762971e+02 -1.404616051e+02 -7.718950675e+01 -1.161940628e+02 1.20 -1.410250509e+02 -1.167518273e+02 -1.315192194e+02 -1.426838020e+02 -1.443236056e+02 -2.697096298e+01 -1.133492938e+02 -1.376265308e+02 -7.077591538e+01 -1.126180351e+02 1.22 -1.390400139e+02 -1.137023257e+02 -1.292598566e+02 -1.378495514e+02 -1.380654632e+02 -2.885159684e+01 -1.097763517e+02 -1.358515867e+02 -6.387206385e+01 -1.080190706e+02 1.24 -1.376876031e+02 -1.098358109e+02 -1.277500724e+02 -1.343705799e+02 -1.334034727e+02 -3.101104466e+01 -1.061531534e+02 -1.340572707e+02 -5.626581243e+01 -1.029731072e+02 1.26 -1.357404923e+02 -1.052632379e+02 -1.257299949e+02 -1.316648789e+02 -1.298870758e+02 -3.204325619e+01 -1.024248925e+02 -1.313531526e+02 -4.823885938e+01 -9.777717164e+01 1.28 -1.325870402e+02 -1.006081490e+02 -1.234041714e+02 -1.289430048e+02 -1.266418702e+02 -3.164015373e+01 -9.889090106e+01 -1.276035781e+02 -4.055858475e+01 -9.207796222e+01 1.30 -1.285020862e+02 -9.618460561e+01 -1.209447573e+02 -1.257406482e+02 -1.232190397e+02 -3.032510975e+01 -9.549827293e+01 -1.230945788e+02 -3.396058235e+01 -8.526884267e+01 1.32 -1.239007479e+02 -9.158068307e+01 -1.178226106e+02 -1.221170410e+02 -1.198408714e+02 -2.856766006e+01 -9.162577547e+01 -1.181338403e+02 -2.872925077e+01 -7.703451541e+01 1.34 -1.189588982e+02 -8.656879340e+01 -1.136342552e+02 -1.184136138e+02 -1.169281423e+02 -2.638301623e+01 -8.644776070e+01 -1.130830328e+02 -2.468074274e+01 -6.760628545e+01 1.36 -1.141314588e+02 -8.140590552e+01 -1.090054858e+02 -1.149636926e+02 -1.145613151e+02 -2.378284170e+01 -7.946419265e+01 -1.084672263e+02 -2.144989473e+01 -5.799247329e+01 1.38 -1.098230890e+02 -7.610570290e+01 -1.049856214e+02 -1.117801702e+02 -1.123430077e+02 -2.109491787e+01 -7.092570936e+01 -1.045792491e+02 -1.868986731e+01 -4.944654858e+01 1.40 -1.058850076e+02 -7.041509414e+01 -1.019099135e+02 -1.085204543e+02 -1.096965933e+02 -1.870315868e+01 -6.173014892e+01 -1.012830441e+02 -1.631455234e+01 -4.281641405e+01 1.42 -1.020219738e+02 -6.444548528e+01 -9.914644164e+01 -1.049076802e+02 -1.063609617e+02 -1.667638584e+01 -5.287599967e+01 -9.829311310e+01 -1.445591857e+01 -3.820050042e+01 1.44 -9.852402474e+01 -5.878969416e+01 -9.593472752e+01 -1.010333509e+02 -1.024889736e+02 -1.484424925e+01 -4.493942987e+01 -9.548247283e+01 -1.313588799e+01 -3.500858555e+01 1.46 -9.591547126e+01 -5.368992407e+01 -9.198407278e+01 -9.719186385e+01 -9.841927684e+01 -1.290342609e+01 -3.802077226e+01 -9.273448960e+01 -1.216743320e+01 -3.227101467e+01 1.48 -9.411607421e+01 -4.871755811e+01 -8.751791654e+01 -9.355001698e+01 -9.437825910e+01 -1.056566824e+01 -3.199435652e+01 -8.973420315e+01 -1.137959366e+01 -2.931686375e+01 1.50 -9.225753608e+01 -4.326039047e+01 -8.293045544e+01 -9.000207401e+01 -9.037305482e+01 -7.695157040e+00 -2.677372674e+01 -8.604379123e+01 -1.072210959e+01 -2.613005803e+01 1.52 -8.923435971e+01 -3.724500744e+01 -7.853280497e+01 -8.627622427e+01 -8.626195526e+01 -4.584853770e+00 -2.234195245e+01 -8.141264379e+01 -1.013859472e+01 -2.300805158e+01 1.54 -8.467870494e+01 -3.115647311e+01 -7.436789640e+01 -8.221234765e+01 -8.195528605e+01 -2.188321117e+00 -1.856798174e+01 -7.599045640e+01 -9.491439824e+00 -2.021377178e+01 1.56 -7.905459976e+01 -2.549044498e+01 -7.004597649e+01 -7.780142349e+01 -7.743707661e+01 -5.691236797e-01 -1.516888635e+01 -7.013618562e+01 -8.635214793e+00 -1.791152564e+01 1.58 -7.301177222e+01 -2.033448975e+01 -6.483855584e+01 -7.303549555e+01 -7.264339220e+01 4.760047620e-01 -1.186283356e+01 -6.410783769e+01 -7.594903334e+00 -1.618943557e+01 1.60 -6.693209963e+01 -1.540061722e+01 -5.815586554e+01 -6.787594881e+01 -6.746949459e+01 1.133359933e+00 -8.591242556e+00 -5.797096012e+01 -6.424185234e+00 -1.505487937e+01 1.62 -6.087344382e+01 -1.036287298e+01 -5.009109473e+01 -6.231075740e+01 -6.188551160e+01 1.464591053e+00 -5.678701693e+00 -5.167180945e+01 -5.206911518e+00 -1.434354303e+01 1.64 -5.480333312e+01 -6.034071510e+00 -4.135808156e+01 -5.644796614e+01 -5.605590478e+01 1.502901959e+00 -3.857353886e+00 -4.527616233e+01 -4.064075491e+00 -1.380479757e+01 1.66 -4.876391414e+01 -2.805901237e+00 -3.274551043e+01 -5.048488892e+01 -5.027028787e+01 1.345651147e+00 -3.010517793e+00 -3.898889426e+01 -3.070698001e+00 -1.326396195e+01 1.68 -4.282050841e+01 -4.628991197e-01 -2.470812566e+01 -4.454967201e+01 -4.470041267e+01 1.128489807e+00 -2.809804955e+00 -3.299234452e+01 -2.232027603e+00 -1.265456818e+01 1.70 -3.704838889e+01 8.556017990e-01 -1.740919704e+01 -3.865944244e+01 -3.930178966e+01 9.044636899e-01 -2.969093835e+00 -2.734253241e+01 -1.542834668e+00 -1.195934012e+01 1.72 -3.148008708e+01 1.369025621e+00 -1.098014841e+01 -3.276997828e+01 -3.388698007e+01 6.602989891e-01 -3.294963822e+00 -2.194486111e+01 -1.031797656e+00 -1.111120530e+01 1.74 -2.610342158e+01 1.406893082e+00 -5.615211901e+00 -2.687450364e+01 -2.829229251e+01 4.220149000e-01 -3.664940578e+00 -1.670886285e+01 -7.358375907e-01 -1.004827677e+01 1.76 -2.095816019e+01 1.194905312e+00 -2.199750858e+00 -2.106193138e+01 -2.249161334e+01 2.061400578e-01 -3.991996066e+00 -1.165459118e+01 -6.467219582e-01 -8.874748711e+00 1.78 -1.606778003e+01 8.673473386e-01 -3.163240715e-01 -1.546105323e+01 -1.661235648e+01 1.302660242e-02 -4.215387843e+00 -6.862034602e+00 -7.015418453e-01 -7.653990680e+00 1.80 -1.136332842e+01 4.968074692e-01 7.252856992e-01 -1.018221404e+01 -1.087822968e+01 -1.608169096e-01 -4.312546189e+00 -3.173041079e+00 -8.166251769e-01 -6.393129335e+00 1.82 -6.745083399e+00 1.197220849e-01 1.305943821e+00 -5.453010824e+00 -5.642871348e+00 -3.177621088e-01 -4.275360234e+00 -7.556445519e-01 -9.433093792e-01 -5.079030247e+00 1.84 -3.057404941e+00 -2.513951099e-01 1.594482569e+00 -2.199456665e+00 -2.076655770e+00 -4.606489033e-01 -4.091015668e+00 7.053876338e-01 -1.091019635e+00 -3.782981970e+00 1.86 -5.934602602e-01 -6.153244876e-01 1.657063166e+00 -1.795897369e-01 6.631011353e-02 -5.934079567e-01 -3.751111379e+00 1.462925704e+00 -1.252822921e+00 -2.649695674e+00 1.88 8.497501106e-01 -9.673311574e-01 1.549499393e+00 9.847832842e-01 1.259907326e+00 -7.196611154e-01 -3.276103409e+00 1.734022650e+00 -1.412340606e+00 -1.787508698e+00 1.90 1.549234739e+00 -1.301564660e+00 1.335464724e+00 1.571778725e+00 1.834392011e+00 -8.402360263e-01 -2.728289658e+00 1.698649477e+00 -1.556705574e+00 -1.212484145e+00 1.92 1.775204706e+00 -1.613469621e+00 1.071113550e+00 1.779705098e+00 2.012791431e+00 -9.531221313e-01 -2.205190145e+00 1.485282215e+00 -1.683141009e+00 -8.827946539e-01 1.94 1.725077040e+00 -1.898772850e+00 7.890476017e-01 1.745803718e+00 1.946719237e+00 -1.056480361e+00 -1.798343392e+00 1.174222429e+00 -1.795852537e+00 -7.450643063e-01 1.96 1.515120181e+00 -2.152821917e+00 4.987647838e-01 1.560145844e+00 1.735279264e+00 -1.151477053e+00 -1.555605298e+00 8.121482248e-01 -1.898803374e+00 -7.457291654e-01 1.98 1.206818835e+00 -2.370211961e+00 1.982695597e-01 1.279645059e+00 1.438620988e+00 -1.242721901e+00 -1.472123107e+00 4.325335336e-01 -1.995542115e+00 -8.194360706e-01 2.00 8.372077974e-01 -2.546969805e+00 -1.159150932e-01 9.420043057e-01 1.091434580e+00 -1.335257737e+00 -1.507971303e+00 6.303688291e-02 -2.088342484e+00 -9.298595638e-01 2.02 4.369782347e-01 -2.683959416e+00 -4.462071721e-01 5.753939340e-01 7.155824450e-01 -1.432830213e+00 -1.610022688e+00 -2.768307531e-01 -2.177798628e+00 -1.090480734e+00 2.04 4.511280682e-02 -2.787850301e+00 -7.914917682e-01 2.069613541e-01 3.311709177e-01 -1.535553040e+00 -1.734547592e+00 -5.793960424e-01 -2.263446298e+00 -1.280615913e+00 2.06 -3.000662870e-01 -2.869137454e+00 -1.149033903e+00 -1.421068575e-01 -4.469595103e-02 -1.641464659e+00 -1.882198097e+00 -8.519439187e-01 -2.345040776e+00 -1.476133770e+00 2.08 -5.849573426e-01 -2.936826023e+00 -1.513395577e+00 -4.632958009e-01 -4.005952094e-01 -1.748292022e+00 -2.051656098e+00 -1.109503385e+00 -2.422527329e+00 -1.662933209e+00 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