# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Rh # implementation = 2022--Xu-Y--Ni-Rh--LAMMPS--ipr1 # composition = Ni # 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 nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 8.234629300e+02 nan 0.86 nan nan nan nan nan nan nan nan 7.499579693e+02 nan 0.88 nan nan nan nan nan nan nan nan 6.829127812e+02 nan 0.90 nan nan nan nan nan 5.143799177e+02 nan nan 6.217026282e+02 nan 0.92 nan nan nan nan nan 4.679443153e+02 nan nan 5.657802037e+02 nan 0.94 nan nan nan nan nan 4.263162576e+02 nan nan 5.147408528e+02 nan 0.96 nan nan nan nan nan 3.890581268e+02 nan nan 4.682252078e+02 nan 0.98 nan nan nan nan nan 3.557351595e+02 nan nan 4.258821467e+02 nan 1.00 nan nan nan nan nan 3.259120491e+02 nan nan 3.873712501e+02 nan 1.02 nan 5.446017105e+02 nan 8.696813406e+02 8.697098988e+02 2.991559092e+02 nan nan 3.523599894e+02 5.455235490e+02 1.04 nan 5.009676496e+02 nan 8.062506300e+02 8.064889537e+02 2.750400701e+02 5.117014361e+02 nan 3.205235256e+02 5.001227958e+02 1.06 nan 4.606152750e+02 nan 7.478636382e+02 7.482108534e+02 2.531812867e+02 4.689260537e+02 nan 2.915720338e+02 4.584144773e+02 1.08 nan 4.231085986e+02 nan 6.940312292e+02 6.943912491e+02 2.333552991e+02 4.294308368e+02 nan 2.652586571e+02 4.201273250e+02 1.10 nan 3.881434244e+02 nan 6.442976964e+02 6.446026586e+02 2.153818666e+02 3.930101775e+02 nan 2.413569946e+02 3.849933900e+02 1.12 nan 3.554983037e+02 nan 5.982178031e+02 5.984303325e+02 1.990788780e+02 3.594676171e+02 nan 2.196476617e+02 3.527454165e+02 1.14 nan 3.250121169e+02 nan 5.553533937e+02 5.554682356e+02 1.842645486e+02 3.286126542e+02 5.102360257e+02 1.999361262e+02 3.231191750e+02 1.16 5.152468413e+02 2.965588789e+02 4.541454087e+02 5.152747428e+02 5.153176695e+02 1.707590507e+02 3.002554567e+02 4.722901513e+02 1.820506268e+02 2.958593161e+02 1.18 4.776938042e+02 2.700290933e+02 4.195456002e+02 4.776849355e+02 4.776927310e+02 1.583848989e+02 2.742079033e+02 4.367266315e+02 1.658219630e+02 2.707665120e+02 1.20 4.424522162e+02 2.453313034e+02 3.872164911e+02 4.424408603e+02 4.424393264e+02 1.469671949e+02 2.502846410e+02 4.034226423e+02 1.510824174e+02 2.477027096e+02 1.22 4.094073143e+02 2.223793682e+02 3.569343997e+02 4.094105398e+02 4.094130405e+02 1.363348274e+02 2.283039700e+02 3.722589110e+02 1.376659776e+02 2.265388409e+02 1.24 3.784475843e+02 2.010920970e+02 3.284987005e+02 3.784661444e+02 3.784745757e+02 1.263399865e+02 2.081027536e+02 3.431188095e+02 1.254151867e+02 2.071513078e+02 1.26 3.494633135e+02 1.813925864e+02 3.018085074e+02 3.494905813e+02 3.495031324e+02 1.169309158e+02 1.895531485e+02 3.158883375e+02 1.142187664e+02 1.894166000e+02 1.28 3.223473587e+02 1.632058834e+02 2.767946010e+02 3.223741586e+02 3.223882817e+02 1.080844769e+02 1.725360686e+02 2.904560776e+02 1.039843009e+02 1.732089019e+02 1.30 2.969930122e+02 1.464572834e+02 2.533883415e+02 2.970123764e+02 2.970254654e+02 9.977668203e+01 1.569333617e+02 2.667117431e+02 9.461982038e+01 1.584021668e+02 1.32 2.732957534e+02 1.310734225e+02 2.315212834e+02 2.733048444e+02 2.733149187e+02 9.198135755e+01 1.426254708e+02 2.445479695e+02 8.603396292e+01 1.448716900e+02 1.34 2.511532737e+02 1.169825361e+02 2.111252864e+02 2.511526030e+02 2.511586301e+02 8.467123914e+01 1.294932355e+02 2.238602564e+02 7.813654798e+01 1.324951503e+02 1.36 2.304648541e+02 1.041160512e+02 1.921318710e+02 2.304573476e+02 2.304595611e+02 7.781970697e+01 1.174193147e+02 2.045548601e+02 7.085675919e+01 1.211524433e+02 1.38 2.111324662e+02 9.240816785e+01 1.744737998e+02 2.111219890e+02 2.111215400e+02 7.140186294e+01 1.062944732e+02 1.865480190e+02 6.415796202e+01 1.107241090e+02 1.40 1.930607844e+02 8.179390860e+01 1.580874365e+02 1.930510746e+02 1.930493969e+02 6.509856435e+01 9.605321469e+01 1.697591615e+02 5.800833640e+01 1.010905032e+02 1.42 1.761579374e+02 7.220906864e+01 1.429131066e+02 1.761518579e+02 1.761502718e+02 5.876739541e+01 8.664627679e+01 1.541111046e+02 5.189552161e+01 9.213390963e+01 1.44 1.603569748e+02 6.359007036e+01 1.288941331e+02 1.603559876e+02 1.603555836e+02 5.287823181e+01 7.802405246e+01 1.395437403e+02 4.605426611e+01 8.378215431e+01 1.46 1.456145067e+02 5.587320614e+01 1.159750129e+02 1.456189334e+02 1.456206850e+02 4.741044642e+01 7.013689368e+01 1.260130073e+02 4.074055191e+01 7.600815374e+01 1.48 1.318884066e+02 4.899495216e+01 1.041016743e+02 1.318983917e+02 1.319032112e+02 4.234445569e+01 6.293593354e+01 1.134760226e+02 3.591674187e+01 6.878843637e+01 1.50 1.191371634e+02 4.264000979e+01 9.322103809e+01 1.191526225e+02 1.191608854e+02 3.766101618e+01 5.637429799e+01 1.018906471e+02 3.154610449e+01 6.210076020e+01 1.52 1.073205024e+02 3.652751776e+01 8.328111614e+01 1.073402968e+02 1.073514452e+02 3.334170527e+01 5.040712526e+01 9.121534669e+01 2.759325451e+01 5.592292708e+01 1.54 9.639918933e+01 3.115903209e+01 7.423026864e+01 9.642076487e+01 9.643349886e+01 2.936878369e+01 4.442068157e+01 8.140870150e+01 2.402397032e+01 4.995011444e+01 1.56 8.633434270e+01 2.646380609e+01 6.601609996e+01 8.635430888e+01 8.636701961e+01 2.572445938e+01 3.885179660e+01 7.242934486e+01 2.080513928e+01 4.402459178e+01 1.58 7.708701505e+01 2.237194655e+01 5.858620949e+01 7.710214594e+01 7.711337213e+01 2.239081054e+01 3.381686636e+01 6.423594466e+01 1.790462859e+01 3.860637399e+01 1.60 6.861854990e+01 1.881419639e+01 5.188925268e+01 6.862645827e+01 6.863514973e+01 1.935026926e+01 2.926596693e+01 5.678738210e+01 1.529108875e+01 3.366530255e+01 1.62 6.089031244e+01 1.572185626e+01 4.587479404e+01 6.089002955e+01 6.089559167e+01 1.658579378e+01 2.515600296e+01 5.004323741e+01 1.293360288e+01 2.917222895e+01 1.64 5.386374973e+01 1.302775692e+01 3.999717462e+01 5.385594367e+01 5.385824674e+01 1.408112166e+01 2.145758387e+01 4.395072386e+01 1.080405194e+01 2.509969721e+01 1.66 4.750017022e+01 1.068239137e+01 3.455195209e+01 4.748709201e+01 4.748640423e+01 1.182075336e+01 1.814315035e+01 3.777868217e+01 8.885423795e+00 2.142217208e+01 1.68 4.146540077e+01 8.650136264e+00 2.971289537e+01 4.144758530e+01 4.144624551e+01 9.789732095e+00 1.518566492e+01 3.227421038e+01 7.164122660e+00 1.811582185e+01 1.70 3.563964635e+01 6.896421333e+00 2.541971623e+01 3.562067948e+01 3.561575637e+01 7.973344420e+00 1.255886942e+01 2.739158687e+01 5.626937189e+00 1.515785812e+01 1.72 3.044125290e+01 5.387197319e+00 2.161218473e+01 3.042465977e+01 3.041689824e+01 6.357127387e+00 1.023734895e+01 2.308603392e+01 4.260996706e+00 1.252563355e+01 1.74 2.582849682e+01 4.088634156e+00 1.823229077e+01 2.581641166e+01 2.580667724e+01 4.927799012e+00 8.196508845e+00 1.931355723e+01 3.053977664e+00 1.019664185e+01 1.76 2.176050801e+01 2.966892235e+00 1.523843460e+01 2.175351740e+01 2.174276879e+01 3.673921735e+00 6.412919720e+00 1.603077728e+01 1.993821556e+00 8.148799920e+00 1.78 1.819636220e+01 1.988496014e+00 1.260027316e+01 1.819411910e+01 1.818342340e+01 2.584553545e+00 4.864083696e+00 1.319464854e+01 1.068972624e+00 6.360189805e+00 1.80 1.509503973e+01 1.123058017e+00 1.028930086e+01 1.509690181e+01 1.508740091e+01 1.648030759e+00 3.528145412e+00 1.076252249e+01 2.690476843e-01 4.809084267e+00 1.82 1.241614135e+01 3.561585767e-01 8.278461861e+00 1.242126378e+01 1.241403201e+01 8.512485809e-01 2.383670069e+00 8.692351807e+00 -4.155401568e-01 3.474224432e+00 1.84 1.011978192e+01 -3.199963313e-01 6.541560554e+00 1.012713721e+01 1.012303312e+01 1.799592555e-01 1.409388715e+00 6.942485554e+00 -9.942625900e-01 2.334806493e+00 1.86 8.166335543e+00 -9.130316716e-01 5.052453107e+00 8.174889704e+00 8.174447356e+00 -3.803904622e-01 5.838911736e-01 5.471661236e+00 -1.476988640e+00 1.370396801e+00 1.88 6.516537488e+00 -1.430586747e+00 3.784598919e+00 6.525260511e+00 6.528557088e+00 -8.438129370e-01 -1.143439422e-01 4.238927174e+00 -1.874308049e+00 5.609349996e-01 1.90 5.131518234e+00 -1.880479396e+00 2.711203692e+00 5.139397704e+00 5.146009148e+00 -1.223154262e+00 -7.054907886e-01 3.203481574e+00 -2.197405015e+00 -1.133245841e-01 1.92 3.972652718e+00 -2.270661248e+00 1.805537897e+00 3.978896418e+00 3.988012341e+00 -1.530744091e+00 -1.204969790e+00 2.324881625e+00 -2.457595991e+00 -6.719722813e-01 1.94 3.001443399e+00 -2.608653368e+00 1.040927394e+00 3.005739697e+00 3.016357141e+00 -1.778795643e+00 -1.626586866e+00 1.563249224e+00 -2.665918156e+00 -1.134368039e+00 1.96 2.179756795e+00 -2.901147898e+00 3.907265054e-01 2.182346518e+00 2.193454112e+00 -1.979449339e+00 -1.983670631e+00 8.876931794e-01 -2.832811470e+00 -1.519300212e+00 1.98 1.470050450e+00 -3.154111134e+00 -1.716075928e-01 1.471576752e+00 1.482295199e+00 -2.144755562e+00 -2.289159953e+00 2.826242408e-01 -2.968025392e+00 -1.845029763e+00 2.00 8.355535783e-01 -3.373024730e+00 -6.722203167e-01 8.367967948e-01 8.464722741e-01 -2.286510420e+00 -2.555761207e+00 -2.656083979e-01 -3.081035303e+00 -2.129419693e+00 2.02 2.519840027e-01 -3.561727819e+00 -1.128921577e+00 2.536794505e-01 2.619185507e-01 -2.412521183e+00 -2.792188578e+00 -7.664907172e-01 -3.178338484e+00 -2.384344062e+00 2.04 -2.848448338e-01 -3.721810489e+00 -1.546021991e+00 -2.821108071e-01 -2.754776989e-01 -2.524217309e+00 -3.000697719e+00 -1.222902168e+00 -3.261578213e+00 -2.612110839e+00 2.06 -7.769940395e-01 -3.855122639e+00 -1.926307890e+00 -7.729907048e-01 -7.680305742e-01 -2.622423433e+00 -3.183155876e+00 -1.637089757e+00 -3.331795556e+00 -2.814317286e+00 2.08 -1.226297669e+00 -3.964121903e+00 -2.272239225e+00 -1.221296134e+00 -1.218085030e+00 -2.707987153e+00 -3.341706678e+00 -2.011391871e+00 -3.389828992e+00 -2.992715012e+00 2.10 -1.634534167e+00 -4.051734070e+00 -2.585889161e+00 -1.629262033e+00 -1.627894768e+00 -2.781772578e+00 -3.478591958e+00 -2.348305747e+00 -3.436336629e+00 -3.149187220e+00 2.12 -2.003674994e+00 -4.121034444e+00 -2.868807779e+00 -1.999131947e+00 -1.999689756e+00 -2.844671080e+00 -3.595984411e+00 -2.650470410e+00 -3.471848759e+00 -3.285737170e+00 2.14 -2.336142285e+00 -4.174920626e+00 -3.122196173e+00 -2.333299247e+00 -2.335787147e+00 -2.897629198e+00 -3.695907989e+00 -2.920498634e+00 -3.496888815e+00 -3.404446987e+00 2.16 -2.634633755e+00 -4.215780129e+00 -3.346992252e+00 -2.634204152e+00 -2.638516440e+00 -2.941548289e+00 -3.780094296e+00 -3.160825822e+00 -3.512121514e+00 -3.507105868e+00 2.18 -2.901727387e+00 -4.245564658e+00 -3.543986522e+00 -2.904057346e+00 -2.909973173e+00 -2.977184971e+00 -3.849834320e+00 -3.373672808e+00 -3.518372017e+00 -3.594990301e+00 2.20 -3.139824719e+00 -4.265933432e+00 -3.714078494e+00 -3.144856747e+00 -3.152045609e+00 -3.005140834e+00 -3.906271444e+00 -3.561075457e+00 -3.516620921e+00 -3.669164388e+00 2.22 -3.351162125e+00 -4.278225505e+00 -3.858520237e+00 -3.358500303e+00 -3.366543731e+00 -3.025865179e+00 -3.950566994e+00 -3.724904983e+00 -3.507961541e+00 -3.730578318e+00 2.24 -3.537821164e+00 -4.283458454e+00 -3.979080673e+00 -3.546824526e+00 -3.555249209e+00 -3.039675296e+00 -3.983910695e+00 -3.866914553e+00 -3.493488144e+00 -3.780100476e+00 2.26 -3.701738829e+00 -4.282369725e+00 -4.078077220e+00 -3.711592829e+00 -3.719903146e+00 -3.046919842e+00 -4.007471004e+00 -3.988804163e+00 -3.474199836e+00 -3.818565284e+00 2.28 -3.844717072e+00 -4.275440176e+00 -4.158219380e+00 -3.854527802e+00 -3.862240775e+00 -3.048097917e+00 -4.022302998e+00 -4.092237182e+00 -3.450930094e+00 -3.846781466e+00 2.30 -3.968431245e+00 -4.262799490e+00 -4.222264780e+00 -3.977340394e+00 -3.984029899e+00 -3.043741032e+00 -4.029309309e+00 -4.178831471e+00 -3.424264531e+00 -3.865477995e+00 2.32 -4.074438687e+00 -4.244231406e+00 -4.272763856e+00 -4.081726230e+00 -4.087056863e+00 -3.034382466e+00 -4.029214550e+00 -4.250173504e+00 -3.394524845e+00 -3.875304106e+00 2.34 -4.164186311e+00 -4.219671079e+00 -4.311837979e+00 -4.169349231e+00 -4.173095307e+00 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