# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1 # composition = CrPd3 # 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 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 8.481923597e+03 nan nan 0.90 7.732493204e+03 nan nan 0.92 7.049748720e+03 nan nan 0.94 6.427580382e+03 nan nan 0.96 5.860967320e+03 nan nan 0.98 5.345010482e+03 7.756663517e+03 8.696692077e+03 1.00 4.874820936e+03 7.148520493e+03 7.995505992e+03 1.02 4.445638080e+03 6.588143608e+03 7.356935930e+03 1.04 4.052896743e+03 6.071098942e+03 6.775728771e+03 1.06 3.691659654e+03 5.593282116e+03 6.246706326e+03 1.08 3.357600780e+03 5.150821001e+03 5.764336953e+03 1.10 3.047919321e+03 4.740419759e+03 5.321927915e+03 1.12 2.760084300e+03 4.359151368e+03 4.912647788e+03 1.14 2.491550747e+03 4.004265302e+03 4.532307573e+03 1.16 2.240299775e+03 3.673322982e+03 4.178067714e+03 1.18 2.004854634e+03 3.364142763e+03 3.847808798e+03 1.20 1.783874788e+03 3.074775890e+03 3.539563488e+03 1.22 1.576102676e+03 2.803530882e+03 3.251342220e+03 1.24 1.380449117e+03 2.548949589e+03 2.981220241e+03 1.26 1.195962844e+03 2.309820276e+03 2.727511037e+03 1.28 1.022014267e+03 2.084953315e+03 2.488772588e+03 1.30 8.610219535e+02 1.873067009e+03 2.263803639e+03 1.32 7.251613964e+02 1.672942483e+03 2.051564596e+03 1.34 6.120345800e+02 1.483744170e+03 1.851093970e+03 1.36 5.175986282e+02 1.304930532e+03 1.661446750e+03 1.38 4.387322647e+02 1.135809972e+03 1.481756534e+03 1.40 3.729154490e+02 9.758126529e+02 1.311226185e+03 1.42 3.180228061e+02 8.297851914e+02 1.149110031e+03 1.44 2.722066991e+02 7.067801189e+02 9.948910208e+02 1.46 2.339078090e+02 6.034905260e+02 8.517928034e+02 1.48 2.018344407e+02 5.167854494e+02 7.293506360e+02 1.50 1.749131390e+02 4.440174142e+02 6.253397475e+02 1.52 1.522575309e+02 3.828565378e+02 5.370626382e+02 1.54 1.331286872e+02 3.312885692e+02 4.621905271e+02 1.56 1.169044895e+02 2.876751902e+02 3.987272921e+02 1.58 1.030712215e+02 2.507316991e+02 3.449345985e+02 1.60 9.120783459e+01 2.193899140e+02 2.992735759e+02 1.62 8.096314673e+01 1.927292222e+02 2.604619369e+02 1.64 7.204525526e+01 1.699388936e+02 2.274554623e+02 1.66 6.421511809e+01 1.503367084e+02 1.993711606e+02 1.68 5.727656513e+01 1.333949117e+02 1.754579625e+02 1.70 5.106925689e+01 1.187053740e+02 1.550892090e+02 1.72 4.546831705e+01 1.059262621e+02 1.377224892e+02 1.74 4.039520750e+01 9.476654516e+01 1.228531251e+02 1.76 3.579280020e+01 8.497863832e+01 1.100387137e+02 1.78 3.161403975e+01 7.635192582e+01 9.889964590e+01 1.80 2.782085794e+01 6.870997506e+01 8.914689552e+01 1.82 2.438180648e+01 6.190472068e+01 8.056423612e+01 1.84 2.127056780e+01 5.581171888e+01 7.297291490e+01 1.86 1.846616742e+01 5.032749526e+01 6.621976492e+01 1.88 1.595198333e+01 4.536471503e+01 6.016122703e+01 1.90 1.371521413e+01 4.084915950e+01 5.467198472e+01 1.92 1.174584371e+01 3.672025968e+01 4.965382992e+01 1.94 1.003601661e+01 3.293752015e+01 4.504925528e+01 1.96 8.579220011e+00 2.946963443e+01 4.081577868e+01 1.98 7.360679561e+00 2.629042298e+01 3.691625266e+01 2.00 6.332004676e+00 2.337710362e+01 3.331798013e+01 2.02 5.437955576e+00 2.071113259e+01 2.999219237e+01 2.04 4.623722835e+00 1.827706703e+01 2.691334384e+01 2.06 3.843302205e+00 1.606152952e+01 2.405901137e+01 2.08 3.092403827e+00 1.405355902e+01 2.140997243e+01 2.10 2.379723297e+00 1.224002023e+01 1.894930212e+01 2.12 1.714659957e+00 1.059485744e+01 1.666215142e+01 2.14 1.106190554e+00 9.091648257e+00 1.453743795e+01 2.16 5.534908597e-01 7.704416320e+00 1.256601495e+01 2.18 5.198421345e-02 6.409736502e+00 1.074001950e+01 2.20 -4.026202358e-01 5.201060429e+00 9.052683751e+00 2.22 -8.149626647e-01 4.080754928e+00 7.498209394e+00 2.24 -1.187666987e+00 3.052083061e+00 6.072114940e+00 2.26 -1.521669205e+00 2.118853825e+00 4.771098946e+00 2.28 -1.817554081e+00 1.281815045e+00 3.592887984e+00 2.30 -2.075827117e+00 5.377500622e-01 2.535557110e+00 2.32 -2.296873133e+00 -1.164706872e-01 1.597641383e+00 2.34 -2.480963214e+00 -6.836497403e-01 7.780579717e-01 2.36 -2.628243809e+00 -1.165817150e+00 7.612115106e-02 2.38 -2.738805530e+00 -1.563635202e+00 -5.083993464e-01 2.40 -2.812675064e+00 -1.876803792e+00 -9.743449644e-01 2.42 -2.851010410e+00 -2.107371026e+00 -1.324000578e+00 2.44 -2.859957635e+00 -2.269996336e+00 -1.578579781e+00 2.46 -2.847058283e+00 -2.382413717e+00 -1.763932797e+00 2.48 -2.819865765e+00 -2.462803823e+00 -1.906563841e+00 2.50 -2.785958370e+00 -2.529780733e+00 -2.033679453e+00 2.52 -2.751454886e+00 -2.598104808e+00 -2.166654290e+00 2.54 -2.716707290e+00 -2.667392143e+00 -2.304060712e+00 2.56 -2.680601604e+00 -2.733418267e+00 -2.438702366e+00 2.58 -2.642005398e+00 -2.791958878e+00 -2.563317740e+00 2.60 -2.599770335e+00 -2.838766187e+00 -2.670590037e+00 2.62 -2.553159468e+00 -2.870711856e+00 -2.754958476e+00 2.64 -2.503162562e+00 -2.889012943e+00 -2.818031450e+00 2.66 -2.451183909e+00 -2.895738212e+00 -2.863151425e+00 2.68 -2.398602403e+00 -2.892909487e+00 -2.893605514e+00 2.70 -2.346583653e+00 -2.882522063e+00 -2.912627704e+00 2.72 -2.295716699e+00 -2.866276056e+00 -2.922966985e+00 2.74 -2.246039133e+00 -2.844762889e+00 -2.925679605e+00 2.76 -2.197485949e+00 -2.818282581e+00 -2.921378205e+00 2.78 -2.150021142e+00 -2.787199771e+00 -2.910711376e+00 2.80 -2.103638448e+00 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-1.402217672e+00 -1.905231806e+00 -2.209249948e+00 3.18 -1.368681885e+00 -1.863297440e+00 -2.164190603e+00 3.20 -1.335598342e+00 -1.822241314e+00 -2.118735112e+00 3.22 -1.302937247e+00 -1.782026282e+00 -2.072997672e+00 3.24 -1.270667113e+00 -1.742613123e+00 -2.027110778e+00 3.26 -1.238759548e+00 -1.703960646e+00 -1.981203418e+00 3.28 -1.207211447e+00 -1.666025782e+00 -1.935401227e+00 3.30 -1.176029815e+00 -1.628763678e+00 -1.889826636e+00 3.32 -1.145221587e+00 -1.592127782e+00 -1.844593658e+00 3.34 -1.114792404e+00 -1.556069926e+00 -1.799792488e+00 3.36 -1.084746661e+00 -1.520540397e+00 -1.755505421e+00 3.38 -1.055087571e+00 -1.485490917e+00 -1.711812052e+00 3.40 -1.025817230e+00 -1.450915670e+00 -1.668789386e+00 3.42 -9.969366696e-01 -1.416841484e+00 -1.626511927e+00 3.44 -9.684459221e-01 -1.383294798e+00 -1.585051773e+00 3.46 -9.403440694e-01 -1.350300830e+00 -1.544478687e+00 3.48 -9.126292985e-01 -1.317883765e+00 -1.504860172e+00 3.50 -8.852989505e-01 -1.286067663e+00 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