# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgZr3 # 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 2024-04-11 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 5.257569878e+02 nan nan 1.16 4.861677468e+02 nan nan 1.18 4.496949349e+02 nan nan 1.20 4.160691416e+02 nan nan 1.22 3.850474947e+02 nan nan 1.24 3.564105738e+02 nan nan 1.26 3.299594952e+02 nan nan 1.28 3.055132044e+02 4.599179586e+02 5.219507678e+02 1.30 2.829069227e+02 4.281579656e+02 4.866505078e+02 1.32 2.619913497e+02 3.986679331e+02 4.538416556e+02 1.34 2.426313695e+02 3.712707364e+02 4.233337218e+02 1.36 2.247042521e+02 3.458054901e+02 3.949521827e+02 1.38 2.080975268e+02 3.221265145e+02 3.685364369e+02 1.40 1.927077019e+02 3.001015025e+02 3.439385653e+02 1.42 1.784397019e+02 2.796083558e+02 3.210225773e+02 1.44 1.652065352e+02 2.605326129e+02 2.996634066e+02 1.46 1.529286392e+02 2.427671639e+02 2.797458485e+02 1.48 1.415335009e+02 2.262134148e+02 2.611637382e+02 1.50 1.309551865e+02 2.107816780e+02 2.438198651e+02 1.52 1.211332019e+02 1.963902511e+02 2.276256259e+02 1.54 1.120116059e+02 1.829640646e+02 2.124998828e+02 1.56 1.035386397e+02 1.704340236e+02 1.983680358e+02 1.58 9.566664668e+01 1.587370580e+02 1.851614273e+02 1.60 8.835176217e+01 1.478159247e+02 1.728167803e+02 1.62 8.155329928e+01 1.376182646e+02 1.612754659e+02 1.64 7.523355753e+01 1.280954051e+02 1.504827193e+02 1.66 6.935796980e+01 1.192015231e+02 1.403874180e+02 1.68 6.389507952e+01 1.108933850e+02 1.309423560e+02 1.70 5.881607183e+01 1.031306413e+02 1.221042182e+02 1.72 5.409407257e+01 9.587602031e+01 1.138330965e+02 1.74 4.970374883e+01 8.909531642e+01 1.060916350e+02 1.76 4.562128090e+01 8.275709381e+01 9.884452839e+01 1.78 4.182458918e+01 7.683232427e+01 9.205846583e+01 1.80 3.829347495e+01 7.129394268e+01 8.570253284e+01 1.82 3.500943693e+01 6.611649238e+01 7.974837145e+01 1.84 3.195556140e+01 6.127573110e+01 7.417009218e+01 1.86 2.911717102e+01 5.674866241e+01 6.894378354e+01 1.88 2.647930727e+01 5.251376917e+01 6.404713617e+01 1.90 2.402767508e+01 4.855130949e+01 5.945923556e+01 1.92 2.174893614e+01 4.484337249e+01 5.516039031e+01 1.94 1.963109006e+01 4.137369632e+01 5.113217209e+01 1.96 1.766329415e+01 3.812730431e+01 4.735737345e+01 1.98 1.583568428e+01 3.509026422e+01 4.381997643e+01 2.00 1.413916620e+01 3.224962055e+01 4.050506439e+01 2.02 1.256519651e+01 2.959412646e+01 3.739870277e+01 2.04 1.110565517e+01 2.711284777e+01 3.448787030e+01 2.06 9.752775050e+00 2.479492376e+01 3.176041974e+01 2.08 8.499144617e+00 2.262993010e+01 2.920597120e+01 2.10 7.337778707e+00 2.060790997e+01 2.681413065e+01 2.12 6.262194909e+00 1.871947579e+01 2.457466161e+01 2.14 5.266456188e+00 1.695577071e+01 2.247782210e+01 2.16 4.345138072e+00 1.530856524e+01 2.051458302e+01 2.18 3.493281092e+00 1.377028465e+01 1.867668112e+01 2.20 2.706298847e+00 1.233398156e+01 1.695647998e+01 2.22 1.979893989e+00 1.099322090e+01 1.534696636e+01 2.24 1.309995981e+00 9.741988137e+00 1.384159495e+01 2.26 6.927296171e-01 8.574648933e+00 1.243423662e+01 2.28 1.243953361e-01 7.485927611e+00 1.111911573e+01 2.30 -3.985259896e-01 6.470976076e+00 9.890797147e+00 2.32 -8.793774349e-01 5.525309375e+00 8.744119470e+00 2.34 -1.321319829e+00 4.644836705e+00 7.674139274e+00 2.36 -1.727304603e+00 3.825760177e+00 6.676075192e+00 2.38 -2.100029342e+00 3.064517330e+00 5.745253406e+00 2.40 -2.441922943e+00 2.357717040e+00 4.877156648e+00 2.42 -2.755139813e+00 1.702077016e+00 4.067469172e+00 2.44 -3.041585818e+00 1.094399957e+00 3.312178221e+00 2.46 -3.302962676e+00 5.315518729e-01 2.607647342e+00 2.48 -3.540815274e+00 1.047893801e-02 1.950636879e+00 2.50 -3.756570748e+00 -4.717574596e-01 1.338247084e+00 2.52 -3.951565794e+00 -9.179367351e-01 7.678687744e-01 2.54 -4.127059725e+00 -1.330638693e+00 2.370894142e-01 2.56 -4.284264413e+00 -1.712216130e+00 -2.563582907e-01 2.58 -4.424320552e+00 -2.064786602e+00 -7.146274821e-01 2.60 -4.548330476e+00 -2.390245467e+00 -1.139766282e+00 2.62 -4.657349028e+00 -2.690290878e+00 -1.533707006e+00 2.64 -4.752466376e+00 -2.966486622e+00 -1.898283448e+00 2.66 -4.834793973e+00 -3.220261447e+00 -2.235183274e+00 2.68 -4.905127104e+00 -3.452966928e+00 -2.545982599e+00 2.70 -4.964262055e+00 -3.665889380e+00 -2.832150572e+00 2.72 -5.013010549e+00 -3.860259934e+00 -3.095069955e+00 2.74 -5.052187342e+00 -4.037256751e+00 -3.336061597e+00 2.76 -5.082595129e+00 -4.198001617e+00 -3.556408942e+00 2.78 -5.105006543e+00 -4.343549854e+00 -3.757377544e+00 2.80 -5.120154120e+00 -4.474900109e+00 -3.940230762e+00 2.82 -5.128499673e+00 -4.592965315e+00 -4.106222991e+00 2.84 -5.130230379e+00 -4.698592286e+00 -4.256589505e+00 2.86 -5.125549737e+00 -4.792585214e+00 -4.392519291e+00 2.88 -5.114700431e+00 -4.875758101e+00 -4.515125123e+00 2.90 -5.097927775e+00 -4.948716620e+00 -4.625419008e+00 2.92 -5.075487360e+00 -5.012046016e+00 -4.724300230e+00 2.94 -5.047647916e+00 -5.066238206e+00 -4.812557895e+00 2.96 -5.014669833e+00 -5.111773243e+00 -4.890932659e+00 2.98 -4.976818867e+00 -5.149125626e+00 -4.960164323e+00 3.00 -4.934362337e+00 -5.178761841e+00 -5.020669172e+00 3.02 -4.887569179e+00 -5.201137846e+00 -5.072853938e+00 3.04 -4.836709917e+00 -5.216684371e+00 -5.117123041e+00 3.06 -4.782056752e+00 -5.225697337e+00 -5.153883080e+00 3.08 -4.723883944e+00 -5.228350186e+00 -5.183545738e+00 3.10 -4.662468419e+00 -5.224813747e+00 -5.206529543e+00 3.12 -4.598090085e+00 -5.215218298e+00 -5.223260322e+00 3.14 -4.531031078e+00 -5.199748270e+00 -5.234165678e+00 3.16 -4.461573124e+00 -5.178610370e+00 -5.239519849e+00 3.18 -4.389992748e+00 -5.152054128e+00 -5.239433620e+00 3.20 -4.316555032e+00 -5.120360427e+00 -5.234053731e+00 3.22 -4.241507648e+00 -5.083838247e+00 -5.223567914e+00 3.24 -4.165077424e+00 -5.042823019e+00 -5.208176972e+00 3.26 -4.087471300e+00 -4.997676009e+00 -5.188091176e+00 3.28 -4.008882319e+00 -4.948782941e+00 -5.163519776e+00 3.30 -3.929499676e+00 -4.896549349e+00 -5.134666853e+00 3.32 -3.849520468e+00 -4.841390768e+00 -5.101730153e+00 3.34 -3.769156176e+00 -4.783717820e+00 -5.064901632e+00 3.36 -3.688654201e+00 -4.723918597e+00 -5.024368578e+00 3.38 -3.608271049e+00 -4.662342368e+00 -4.980314624e+00 3.40 -3.528281301e+00 -4.599286441e+00 -4.932920345e+00 3.42 -3.448955313e+00 -4.535000542e+00 -4.882363506e+00 3.44 -3.370551888e+00 -4.469676740e+00 -4.828819214e+00 3.46 -3.293286380e+00 -4.403466791e+00 -4.772460348e+00 3.48 -3.217331896e+00 -4.336489861e+00 -4.713458672e+00 3.50 -3.142808087e+00 -4.268842536e+00 -4.651978629e+00 3.52 -3.069802942e+00 -4.200607106e+00 -4.588215977e+00 3.54 -2.998349209e+00 -4.131857526e+00 -4.522346548e+00 3.56 -2.928454561e+00 -4.062663133e+00 -4.454571266e+00 3.58 -2.860104366e+00 -3.993090582e+00 -4.385110902e+00 3.60 -2.793269158e+00 -3.923204562e+00 -4.314210052e+00 3.62 -2.727913144e+00 -3.853067848e+00 -4.242138205e+00 3.64 -2.664008466e+00 -3.782741154e+00 -4.169186492e+00 3.66 -2.601500990e+00 -3.712283120e+00 -4.095659477e+00 3.68 -2.540335804e+00 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-2.034225090e-01 -2.936457744e-01 5.82 -6.046538282e-02 -1.966505574e-01 -2.848421978e-01 5.84 -5.740567747e-02 -1.900873817e-01 -2.761901965e-01 5.86 -5.452511439e-02 -1.837130207e-01 -2.676777676e-01 5.88 -5.181430623e-02 -1.775083038e-01 -2.592927198e-01 5.90 -4.926192024e-02 -1.714549356e-01 -2.510227273e-01 5.92 -4.685644003e-02 -1.655355542e-01 -2.428554068e-01 5.94 -4.458637384e-02 -1.597337746e-01 -2.347784187e-01 5.96 -4.243980716e-02 -1.540342318e-01 -2.267795989e-01 5.98 -4.040479136e-02 -1.484226308e-01 -2.188471231e-01 6.00 -3.846966110e-02 -1.428858147e-01 -2.109697081e-01