# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--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 2024-03-01 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 -5.302379890e+02 nan 0.76 nan nan nan nan nan nan nan nan -4.889920387e+02 nan 0.78 nan nan nan nan nan nan nan nan -4.518569095e+02 nan 0.80 nan nan nan nan nan -3.608970882e+02 nan nan -4.182638776e+02 nan 0.82 nan nan nan nan nan -3.338745247e+02 nan nan -3.877894313e+02 nan 0.84 nan nan nan nan nan -3.087024847e+02 nan nan -3.598672690e+02 nan 0.86 nan nan nan nan nan -2.851376929e+02 nan nan -3.341409897e+02 nan 0.88 nan nan nan nan nan -2.629223158e+02 nan nan -3.103762694e+02 nan 0.90 nan -3.916401818e+02 nan -5.628888837e+02 -5.632339588e+02 -2.417966520e+02 nan nan -2.884418055e+02 -3.935166115e+02 0.92 nan -3.651889314e+02 nan -5.256223821e+02 -5.258151621e+02 -2.218013177e+02 -3.719973988e+02 nan -2.682473257e+02 -3.678965543e+02 0.94 nan -3.410302441e+02 nan -4.913411493e+02 -4.913436845e+02 -2.031144906e+02 -3.485722238e+02 nan -2.496539428e+02 -3.440151289e+02 0.96 nan -3.190495062e+02 nan -4.597821168e+02 -4.596025491e+02 -1.856474104e+02 -3.268186005e+02 nan -2.324889481e+02 -3.217501227e+02 0.98 nan -2.989729366e+02 nan -4.307568752e+02 -4.304095799e+02 -1.693038526e+02 -3.064224493e+02 nan -2.165535280e+02 -3.010785990e+02 1.00 nan -2.804834941e+02 nan -4.040758427e+02 -4.036256664e+02 -1.540265290e+02 -2.872894993e+02 nan -2.017260236e+02 -2.819010845e+02 1.02 -3.799142690e+02 -2.634207390e+02 -3.475599319e+02 -3.796298452e+02 -3.791723485e+02 -1.397761854e+02 -2.693882762e+02 -3.572985486e+02 -1.878414399e+02 -2.641990138e+02 1.04 -3.574327762e+02 -2.476935928e+02 -3.270626834e+02 -3.572662963e+02 -3.569088270e+02 -1.265917641e+02 -2.527070406e+02 -3.362774862e+02 -1.747101693e+02 -2.477873319e+02 1.06 -3.368194732e+02 -2.331263471e+02 -3.081415186e+02 -3.367202655e+02 -3.365242546e+02 -1.145471191e+02 -2.371831213e+02 -3.168362476e+02 -1.621984768e+02 -2.325761805e+02 1.08 -3.177535652e+02 -2.195280281e+02 -2.907226174e+02 -3.177202124e+02 -3.177025600e+02 -1.037146424e+02 -2.227636040e+02 -2.987290301e+02 -1.502524425e+02 -2.185222490e+02 1.10 -2.999436312e+02 -2.068018325e+02 -2.745908574e+02 -3.000136146e+02 -3.001697255e+02 -9.409717531e+01 -2.093879874e+02 -2.817704745e+02 -1.388245604e+02 -2.054291575e+02 1.12 -2.832132825e+02 -1.948759804e+02 -2.595022588e+02 -2.834248206e+02 -2.837333919e+02 -8.563337999e+01 -1.969553933e+02 -2.658534704e+02 -1.278733222e+02 -1.930834762e+02 1.14 -2.674869440e+02 -1.836980256e+02 -2.452886231e+02 -2.678330977e+02 -2.682429867e+02 -7.821724669e+01 -1.853136281e+02 -2.509601473e+02 -1.173624333e+02 -1.813219735e+02 1.16 -2.527478753e+02 -1.731897890e+02 -2.318415455e+02 -2.531792139e+02 -2.536184845e+02 -7.167084755e+01 -1.743239896e+02 -2.371207538e+02 -1.073112008e+02 -1.700073378e+02 1.18 -2.390025372e+02 -1.633160466e+02 -2.191122391e+02 -2.394500174e+02 -2.398483616e+02 -6.584758312e+01 -1.638967788e+02 -2.243452890e+02 -9.778571133e+01 -1.590478029e+02 1.20 -2.263006910e+02 -1.540012614e+02 -2.070997831e+02 -2.266617400e+02 -2.269523014e+02 -6.063773371e+01 -1.539536530e+02 -2.125653193e+02 -8.883744979e+01 -1.484127677e+02 1.22 -2.146314164e+02 -1.451119237e+02 -1.958517184e+02 -2.147967371e+02 -2.149240820e+02 -5.596716503e+01 -1.444241029e+02 -2.016205762e+02 -8.046595902e+01 -1.380745320e+02 1.24 -2.038141906e+02 -1.365163354e+02 -1.854378896e+02 -2.037453500e+02 -2.036882210e+02 -5.178178307e+01 -1.352371004e+02 -1.913457952e+02 -7.266467822e+01 -1.280281013e+02 1.26 -1.936776229e+02 -1.281045390e+02 -1.758307650e+02 -1.933900806e+02 -1.931573969e+02 -4.803152579e+01 -1.263253610e+02 -1.816214123e+02 -6.542207833e+01 -1.183112968e+02 1.28 -1.840530125e+02 -1.198174767e+02 -1.669172646e+02 -1.836187484e+02 -1.832488941e+02 -4.464399487e+01 -1.176252579e+02 -1.723551172e+02 -5.871987695e+01 -1.089537288e+02 1.30 -1.748355368e+02 -1.116528827e+02 -1.585153486e+02 -1.743453032e+02 -1.738919466e+02 -4.150074493e+01 -1.090800753e+02 -1.634869532e+02 -5.254699131e+01 -1.000189767e+02 1.32 -1.659988136e+02 -1.036364686e+02 -1.505061941e+02 -1.655194849e+02 -1.650357319e+02 -3.851785587e+01 -1.006716733e+02 -1.549804770e+02 -4.690022638e+01 -9.157237052e+01 1.34 -1.575160962e+02 -9.578589899e+01 -1.428026534e+02 -1.570919786e+02 -1.566350753e+02 -3.563484351e+01 -9.241490520e+01 -1.468043868e+02 -4.175999044e+01 -8.361721252e+01 1.36 -1.493494469e+02 -8.812052970e+01 -1.353074673e+02 -1.490144027e+02 -1.486392285e+02 -3.279006542e+01 -8.434602297e+01 -1.389212795e+02 -3.709396536e+01 -7.614431277e+01 1.38 -1.414714717e+02 -8.066539436e+01 -1.279477723e+02 -1.412493888e+02 -1.409958251e+02 -2.993955323e+01 -7.653089499e+01 -1.312767911e+02 -3.286735310e+01 -6.915475672e+01 1.40 -1.338625153e+02 -7.344640248e+01 -1.206910163e+02 -1.337651846e+02 -1.336545202e+02 -2.706824668e+01 -6.904166223e+01 -1.238226123e+02 -2.903013139e+01 -6.266303454e+01 1.42 -1.265056160e+02 -6.645948560e+01 -1.135096562e+02 -1.265281677e+02 -1.265602734e+02 -2.415931619e+01 -6.192311886e+01 -1.165263633e+02 -2.553143033e+01 -5.669722181e+01 1.44 -1.193584431e+02 -5.969787442e+01 -1.063774858e+02 -1.194888600e+02 -1.196476832e+02 -2.119693360e+01 -5.521568893e+01 -1.093540478e+02 -2.232153450e+01 -5.127382176e+01 1.46 -1.123245644e+02 -5.316051108e+01 -9.926290754e+01 -1.125635695e+02 -1.128319671e+02 -1.816727120e+01 -4.895987504e+01 -1.022720358e+02 -1.934680052e+01 -4.634824034e+01 1.48 -1.053588992e+02 -4.685896060e+01 -9.213545467e+01 -1.057049162e+02 -1.060616906e+02 -1.505797299e+01 -4.317053665e+01 -9.528010468e+01 -1.655497143e+01 -4.186621535e+01 1.50 -9.847709727e+01 -4.080609857e+01 -8.498288985e+01 -9.890574472e+01 -9.932160215e+01 -1.197055809e+01 -3.783575055e+01 -8.839383921e+01 -1.390077338e+01 -3.776987622e+01 1.52 -9.170142028e+01 -3.500878084e+01 -7.782157208e+01 -9.216903714e+01 -9.261109163e+01 -9.406101514e+00 -3.294051830e+01 -8.162747983e+01 -1.141516244e+01 -3.400549485e+01 1.54 -8.503826603e+01 -2.947754901e+01 -7.068853751e+01 -8.549937649e+01 -8.593638079e+01 -7.362409777e+00 -2.846573067e+01 -7.498873449e+01 -9.405658558e+00 -3.051795553e+01 1.56 -7.848649479e+01 -2.422840218e+01 -6.364349470e+01 -7.890440862e+01 -7.930760771e+01 -5.775983562e+00 -2.438628814e+01 -6.848288295e+01 -7.818398047e+00 -2.725388816e+01 1.58 -7.205171965e+01 -1.928514546e+01 -5.676556846e+01 -7.240040412e+01 -7.274359424e+01 -4.582928629e+00 -2.067762653e+01 -6.211495534e+01 -6.563136122e+00 -2.416649434e+01 1.60 -6.575178618e+01 -1.466903705e+01 -5.012946459e+01 -6.601210298e+01 -6.627243135e+01 -3.713943455e+00 -1.731110055e+01 -5.589945197e+01 -5.573076120e+00 -2.123210710e+01 1.62 -5.959536352e+01 -1.038857515e+01 -4.378136853e+01 -5.975342728e+01 -5.991541499e+01 -3.090684669e+00 -1.425340468e+01 -4.984832274e+01 -4.797286710e+00 -1.843263833e+01 1.64 -5.358706545e+01 -6.899688301e+00 -3.775267114e+01 -5.363631260e+01 -5.369408663e+01 -2.629642591e+00 -1.147946711e+01 -4.397474203e+01 -4.194877827e+00 -1.574703467e+01 1.66 -4.773852947e+01 -4.454325564e+00 -3.208101714e+01 -4.768735135e+01 -4.764856828e+01 -2.254544879e+00 -9.238555564e+00 -3.829743322e+01 -3.732193319e+00 -1.315587859e+01 1.68 -4.206374033e+01 -2.863530799e+00 -2.678810790e+01 -4.193116807e+01 -4.181253943e+01 -1.900124852e+00 -7.533252780e+00 -3.284204915e+01 -3.381496087e+00 -1.084491224e+01 1.70 -3.657923005e+01 -1.896400379e+00 -2.186671609e+01 -3.638597115e+01 -3.620531312e+01 -1.541267321e+00 -6.227670909e+00 -2.763815649e+01 -3.118570513e+00 -8.936665872e+00 1.72 -3.130179182e+01 -1.372854392e+00 -1.730666189e+01 -3.107019449e+01 -3.084729259e+01 -1.272806421e+00 -5.226564878e+00 -2.271351665e+01 -2.919713181e+00 -7.357816622e+00 1.74 -2.625234704e+01 -1.155706788e+00 -1.309800975e+01 -2.600464578e+01 -2.576053101e+01 -1.136424123e+00 -4.461422840e+00 -1.808824470e+01 -2.761202133e+00 -6.058946310e+00 1.76 -2.146699545e+01 -1.145668815e+00 -9.247366399e+00 -2.122169682e+01 -2.097432866e+01 -1.085426612e+00 -3.882424906e+00 -1.378734867e+01 -2.620928449e+00 -5.011165186e+00 1.78 -1.697753498e+01 -1.268404542e+00 -6.248790609e+00 -1.674627584e+01 -1.650806580e+01 -1.075291088e+00 -3.450485955e+00 -9.827762425e+00 -2.477641827e+00 -4.187754164e+00 1.80 -1.280573097e+01 -1.466261582e+00 -4.167073538e+00 -1.259284820e+01 -1.237041723e+01 -1.074073582e+00 -3.134667403e+00 -6.585367611e+00 -2.332917574e+00 -3.558281031e+00 1.82 -8.984694741e+00 -1.697992072e+00 -2.770807953e+00 -8.799883139e+00 -8.606112458e+00 -1.077598264e+00 -2.911927428e+00 -4.333353842e+00 -2.229283094e+00 -3.092941148e+00 1.84 -6.026759666e+00 -1.937384159e+00 -1.880299344e+00 -5.890511050e+00 -5.748949571e+00 -1.087055125e+00 -2.763909821e+00 -2.820291914e+00 -2.196102017e+00 -2.761498371e+00 1.86 -3.980503776e+00 -2.168193749e+00 -1.356414293e+00 -3.873366868e+00 -3.766601440e+00 -1.102796710e+00 -2.675786739e+00 -1.843360797e+00 -2.219314013e+00 -2.532056200e+00 1.88 -2.603034999e+00 -2.385054640e+00 -1.094251564e+00 -2.514921086e+00 -2.432216229e+00 -1.126411589e+00 -2.635297334e+00 -1.251081444e+00 -2.278418144e+00 -2.375392770e+00 1.90 -1.711552645e+00 -2.589336853e+00 -1.015628057e+00 -1.638717674e+00 -1.573638156e+00 -1.160032196e+00 -2.629760769e+00 -9.331618049e-01 -2.354809684e+00 -2.268068931e+00 1.92 -1.171397290e+00 -2.783660841e+00 -1.062855268e+00 -1.112287644e+00 -1.060624006e+00 -1.205477399e+00 -2.645135016e+00 -8.095899210e-01 -2.431922729e+00 -2.192397050e+00 1.94 -8.842524560e-01 -2.967775814e+00 -1.195831697e+00 -8.372022531e-01 -7.959926617e-01 -1.263648862e+00 -2.667779829e+00 -8.225608220e-01 -2.501006968e+00 -2.133981213e+00 1.96 -7.780399371e-01 -3.138905575e+00 -1.384701673e+00 -7.412322947e-01 -7.083708030e-01 -1.332904618e+00 -2.685451149e+00 -9.302753452e-01 -2.562507634e+00 -2.079650543e+00 1.98 -7.980767323e-01 -3.294870281e+00 -1.605121547e+00 -7.705181954e-01 -7.448391555e-01 -1.410165492e+00 -2.690839432e+00 -1.102439605e+00 -2.618304609e+00 -2.036521963e+00 2.00 -9.048405642e-01 -3.436646318e+00 -1.839562172e+00 -8.865625877e-01 -8.676675079e-01 -1.492782796e+00 -2.698143582e+00 -1.317312421e+00 -2.670885853e+00 -2.032411506e+00 2.02 -1.071091106e+00 -3.566645703e+00 -2.075781001e+00 -1.062556984e+00 -1.050380528e+00 -1.578668640e+00 -2.728114019e+00 -1.558525219e+00 -2.722797354e+00 -2.086051821e+00 2.04 -1.278684508e+00 -3.686172074e+00 -2.306249170e+00 -1.279313730e+00 -1.273617370e+00 -1.666692822e+00 -2.794119136e+00 -1.813346519e+00 -2.775730175e+00 -2.187020346e+00 2.06 -1.514745325e+00 -3.795265810e+00 -2.527129972e+00 -1.522202042e+00 -1.522447010e+00 -1.756535978e+00 -2.889282885e+00 -2.070675372e+00 -2.829628772e+00 -2.319603870e+00 2.08 -1.767479134e+00 -3.893218934e+00 -2.736541494e+00 -1.778946963e+00 -1.784620461e+00 -1.847538063e+00 -3.002944431e+00 -2.320740295e+00 -2.882784495e+00 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