# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr # implementation = 2025--Sharifi-H--Cu-Cr--LAMMPS--ipr1 # composition = Cr3Cu # 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 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 2.656454544e+02 nan nan 0.92 2.484210650e+02 nan nan 0.94 2.324560895e+02 nan nan 0.96 2.175520054e+02 nan nan 0.98 2.035579896e+02 2.336248916e+02 nan 1.00 1.902636702e+02 2.193205727e+02 nan 1.02 1.776454430e+02 2.058961436e+02 2.372139276e+02 1.04 1.657166943e+02 1.932730218e+02 2.226967879e+02 1.06 1.544742393e+02 1.813916654e+02 2.090716327e+02 1.08 1.439722897e+02 1.703891321e+02 1.965688849e+02 1.10 1.341890515e+02 1.602122172e+02 1.851252795e+02 1.12 1.250558876e+02 1.506624310e+02 1.744544862e+02 1.14 1.165138407e+02 1.416710343e+02 1.644590707e+02 1.16 1.085121657e+02 1.331903342e+02 1.550708619e+02 1.18 1.010071238e+02 1.251793047e+02 1.462305769e+02 1.20 9.396093890e+01 1.176026047e+02 1.378870017e+02 1.22 8.734089264e+01 1.104297119e+02 1.299961331e+02 1.24 8.111845769e+01 1.036341626e+02 1.225203290e+02 1.26 7.526854709e+01 9.719289100e+01 1.154274861e+02 1.28 6.976888328e+01 9.108566737e+01 1.086902523e+02 1.30 6.459946951e+01 8.529460666e+01 1.022853043e+02 1.32 5.974215225e+01 7.980374681e+01 9.619269383e+01 1.34 5.518027162e+01 7.459869469e+01 9.039527015e+01 1.36 5.089840611e+01 6.966633611e+01 8.487819058e+01 1.38 4.688210589e+01 6.499458437e+01 7.962846336e+01 1.40 4.311766062e+01 6.057217263e+01 7.463455840e+01 1.42 3.959200178e+01 5.638848914e+01 6.988608472e+01 1.44 3.629263943e+01 5.243344874e+01 6.537351090e+01 1.46 3.320759843e+01 4.869738621e+01 6.108796447e+01 1.48 3.032537376e+01 4.517097799e+01 5.702106728e+01 1.50 2.763489972e+01 4.184518670e+01 5.316479957e+01 1.52 2.512553125e+01 3.871122214e+01 4.951139792e+01 1.54 2.278703183e+01 3.576051457e+01 4.605327951e+01 1.56 2.060954094e+01 3.298468668e+01 4.278296324e+01 1.58 1.858359364e+01 3.037555336e+01 3.969305218e+01 1.60 1.670016833e+01 2.792513458e+01 3.677624103e+01 1.62 1.495071520e+01 2.562565814e+01 3.402530885e+01 1.64 1.332710297e+01 2.346956441e+01 3.143312513e+01 1.66 1.182161980e+01 2.144951378e+01 2.899267189e+01 1.68 1.042694519e+01 1.955839645e+01 2.669703224e+01 1.70 9.136119287e+00 1.778934091e+01 2.453939792e+01 1.72 7.942535087e+00 1.613572184e+01 2.251308606e+01 1.74 6.839934877e+00 1.459116714e+01 2.061155647e+01 1.76 5.822405916e+00 1.314956390e+01 1.882842873e+01 1.78 4.884379578e+00 1.180506020e+01 1.715750327e+01 1.80 4.020651703e+00 1.055207506e+01 1.559280527e+01 1.82 3.226347379e+00 9.385275081e+00 1.412856889e+01 1.84 2.496888436e+00 8.299565229e+00 1.275923573e+01 1.86 1.827963897e+00 7.290088443e+00 1.147946430e+01 1.88 1.215512997e+00 6.352221321e+00 1.028413289e+01 1.90 6.557109154e-01 5.481573133e+00 9.168332562e+00 1.92 1.449586144e-01 4.673983833e+00 8.127374523e+00 1.94 -3.201231236e-01 3.925520943e+00 7.156811706e+00 1.96 -7.427041967e-01 3.232475682e+00 6.252439797e+00 1.98 -1.125755721e+00 2.591358240e+00 5.410295527e+00 2.00 -1.472060291e+00 1.998892297e+00 4.626653549e+00 2.02 -1.784221932e+00 1.452008909e+00 3.898022077e+00 2.04 -2.064676201e+00 9.478382728e-01 3.221135108e+00 2.06 -2.315714354e+00 4.836892182e-01 2.592926081e+00 2.08 -2.539509224e+00 5.702808477e-02 2.010500442e+00 2.10 -2.738091973e+00 -3.345313203e-01 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-3.407648162e+00 -3.221419508e+00 2.48 -3.622748551e+00 -3.439967818e+00 -3.300450576e+00 2.50 -3.586316767e+00 -3.463920824e+00 -3.367873887e+00 2.52 -3.546134910e+00 -3.480170549e+00 -3.424525169e+00 2.54 -3.502611535e+00 -3.489357054e+00 -3.471219285e+00 2.56 -3.456123423e+00 -3.492076648e+00 -3.508718714e+00 2.58 -3.407017415e+00 -3.488883124e+00 -3.537734410e+00 2.60 -3.355612606e+00 -3.480290698e+00 -3.558929273e+00 2.62 -3.302202368e+00 -3.466776733e+00 -3.572921371e+00 2.64 -3.247056226e+00 -3.448784277e+00 -3.580286952e+00 2.66 -3.190421603e+00 -3.426724424e+00 -3.581563238e+00 2.68 -3.132525434e+00 -3.400978501e+00 -3.577251031e+00 2.70 -3.073575664e+00 -3.371900114e+00 -3.567817141e+00 2.72 -3.013762644e+00 -3.339817044e+00 -3.553696647e+00 2.74 -2.953260423e+00 -3.305033009e+00 -3.535295002e+00 2.76 -2.892227960e+00 -3.267829314e+00 -3.512989997e+00 2.78 -2.830810246e+00 -3.228466371e+00 -3.487133589e+00 2.80 -2.769139356e+00 -3.187185127e+00 -3.458053608e+00 2.82 -2.707335433e+00 -3.144208390e+00 -3.426055344e+00 2.84 -2.645507612e+00 -3.099742055e+00 -3.391423037e+00 2.86 -2.583754892e+00 -3.053976260e+00 -3.354421252e+00 2.88 -2.522166956e+00 -3.007086447e+00 -3.315296173e+00 2.90 -2.460824949e+00 -2.959234360e+00 -3.274276808e+00 2.92 -2.399802223e+00 -2.910568974e+00 -3.231576112e+00 2.94 -2.339165051e+00 -2.861227353e+00 -3.187392034e+00 2.96 -2.278973308e+00 -2.811335454e+00 -3.141908497e+00 2.98 -2.219281134e+00 -2.761008879e+00 -3.095296315e+00 3.00 -2.160137587e+00 -2.710353565e+00 -3.047714044e+00 3.02 -2.101587267e+00 -2.659466441e+00 -2.999308779e+00 3.04 -2.043670938e+00 -2.608436027e+00 -2.950216903e+00 3.06 -1.986426139e+00 -2.557343001e+00 -2.900564780e+00 3.08 -1.929887783e+00 -2.506260724e+00 -2.850469406e+00 3.10 -1.874088740e+00 -2.455255733e+00 -2.800039021e+00 3.12 -1.819060410e+00 -2.404388203e+00 -2.749373672e+00 3.14 -1.764833270e+00 -2.353712374e+00 -2.698565752e+00 3.16 -1.711437383e+00 -2.303276961e+00 -2.647700492e+00 3.18 -1.658902871e+00 -2.253125537e+00 -2.596856427e+00 3.20 -1.607260313e+00 -2.203296896e+00 -2.546105835e+00 3.22 -1.556541071e+00 -2.153825400e+00 -2.495515141e+00 3.24 -1.506777510e+00 -2.104741323e+00 -2.445145302e+00 3.26 -1.458003086e+00 -2.056071168e+00 -2.395052159e+00 3.28 -1.410252291e+00 -2.007838000e+00 -2.345286776e+00 3.30 -1.363560424e+00 -1.960061768e+00 -2.295895750e+00 3.32 -1.317963184e+00 -1.912759635e+00 -2.246921508e+00 3.34 -1.273496067e+00 -1.865946323e+00 -2.198402577e+00 3.36 -1.230193590e+00 -1.819634466e+00 -2.150373843e+00 3.38 -1.188088340e+00 -1.773834998e+00 -2.102866795e+00 3.40 -1.147209916e+00 -1.728557554e+00 -2.055909747e+00 3.42 -1.107583782e+00 -1.683810916e+00 -2.009528051e+00 3.44 -1.069230123e+00 -1.639603482e+00 -1.963744297e+00 3.46 -1.032162776e+00 -1.595943782e+00 -1.918578497e+00 3.48 -9.963883014e-01 -1.552841013e+00 -1.874018379e+00 3.50 -9.619052893e-01 -1.510305611e+00 -1.829362555e+00 3.52 -9.287039505e-01 -1.468349826e+00 -1.783000204e+00 3.54 -8.967660438e-01 -1.426988290e+00 -1.738107036e+00 3.56 -8.660651542e-01 -1.386238543e+00 -1.696484466e+00 3.58 -8.365673149e-01 -1.346121482e+00 -1.655546865e+00 3.60 -8.082319368e-01 -1.306661686e+00 -1.615300777e+00 3.62 -7.810129851e-01 -1.267887554e+00 -1.575751293e+00 3.64 -7.548603274e-01 -1.229831224e+00 -1.536902150e+00 3.66 -7.297211661e-01 -1.192528200e+00 -1.498755835e+00 3.68 -7.055414681e-01 -1.156016660e+00 -1.461313671e+00 3.70 -6.822673121e-01 -1.120336438e+00 -1.424575911e+00 3.72 -6.598460854e-01 -1.085527678e+00 -1.388541811e+00 3.74 -6.382274810e-01 -1.051629231e+00 -1.353209712e+00 3.76 -6.173642648e-01 -1.018676864e+00 -1.318577108e+00 3.78 -5.972128010e-01 -9.867014317e-01 -1.284640715e+00 3.80 -5.777333445e-01 -9.557271347e-01 -1.251396533e+00 3.82 -5.588901192e-01 -9.257700384e-01 -1.218839906e+00 3.84 -5.406512177e-01 -8.968369808e-01 -1.186965575e+00 3.86 -5.229883587e-01 -8.689249842e-01 -1.155767732e+00 3.88 -5.058765459e-01 -8.420212274e-01 -1.125240068e+00 3.90 -4.892936672e-01 -8.161035794e-01 -1.095375820e+00 3.92 -4.732200724e-01 -7.911416389e-01 -1.066167810e+00 3.94 -4.576381574e-01 -7.670981749e-01 -1.037608490e+00 3.96 -4.425319800e-01 -7.439308337e-01 -1.009689976e+00 3.98 -4.278869200e-01 -7.215939623e-01 -9.824040841e-01 4.00 -4.136893931e-01 -7.000404028e-01 -9.557423648e-01 4.02 -3.991699378e-01 -6.792231357e-01 -9.296961319e-01 4.04 -3.741793565e-01 -6.590966764e-01 -9.042564926e-01 4.06 -3.239529776e-01 -6.396181678e-01 -8.794143743e-01 4.08 -2.506203056e-01 -6.207481447e-01 -8.551605496e-01 4.10 -2.407950102e-01 -6.024509780e-01 -8.314856600e-01 4.12 -2.328069648e-01 -5.846950310e-01 -8.083802380e-01 4.14 -2.250652819e-01 -5.674525765e-01 -7.858347277e-01 4.16 -2.175631414e-01 -5.506995320e-01 -7.638395038e-01 4.18 -2.102938795e-01 -5.344150744e-01 -7.423848896e-01 4.20 -2.032509861e-01 -5.185811874e-01 -7.214611735e-01 4.22 -1.964281025e-01 -5.031821917e-01 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