# 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 = AlTi3 # 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 2.430430134e+02 nan nan 1.16 2.239504360e+02 nan nan 1.18 2.064044752e+02 nan nan 1.20 1.902686114e+02 nan nan 1.22 1.754188525e+02 nan nan 1.24 1.617428489e+02 nan nan 1.26 1.491391479e+02 nan nan 1.28 1.375156141e+02 2.112604200e+02 2.419557459e+02 1.30 1.267885413e+02 1.959966739e+02 2.248873360e+02 1.32 1.168826011e+02 1.818590989e+02 2.090583215e+02 1.34 1.077304615e+02 1.687559123e+02 1.943698654e+02 1.36 9.927171197e+01 1.566028800e+02 1.807315151e+02 1.38 9.145146308e+01 1.453244965e+02 1.680600599e+02 1.40 8.421938453e+01 1.348531431e+02 1.562789206e+02 1.42 7.752950714e+01 1.251271485e+02 1.453183973e+02 1.44 7.134011206e+01 1.160893659e+02 1.351161589e+02 1.46 6.561296124e+01 1.076868042e+02 1.256168384e+02 1.48 6.031219248e+01 9.987082390e+01 1.167704838e+02 1.50 5.540387279e+01 9.259736513e+01 1.085308116e+02 1.52 5.085650774e+01 8.582679976e+01 1.008543121e+02 1.54 4.664169532e+01 7.952331631e+01 9.370036384e+01 1.56 4.273408397e+01 7.365418621e+01 8.703160684e+01 1.58 3.911072021e+01 6.818918519e+01 8.081381344e+01 1.60 3.575042705e+01 6.310016658e+01 7.501528883e+01 1.62 3.263358683e+01 5.836077543e+01 6.960633153e+01 1.64 2.974217298e+01 5.394627796e+01 6.455907786e+01 1.66 2.705988561e+01 4.983339324e+01 5.984760324e+01 1.68 2.457220098e+01 4.600014699e+01 5.544799495e+01 1.70 2.226545678e+01 4.242591847e+01 5.133834308e+01 1.72 2.012846756e+01 3.909169663e+01 4.749872193e+01 1.74 1.814960354e+01 3.598030458e+01 4.391108445e+01 1.76 1.631772567e+01 3.307634612e+01 4.055899694e+01 1.78 1.462254301e+01 3.036590059e+01 3.742730515e+01 1.80 1.305447886e+01 2.783623439e+01 3.450184934e+01 1.82 1.160449810e+01 2.547591873e+01 3.176923652e+01 1.84 1.026395518e+01 2.327425959e+01 2.921666424e+01 1.86 9.024527315e+00 2.122172915e+01 2.683193522e+01 1.88 7.878272841e+00 1.931006546e+01 2.460376241e+01 1.90 6.817793064e+00 1.753014273e+01 2.252114082e+01 1.92 5.836407778e+00 1.587311650e+01 2.057492563e+01 1.94 4.928240368e+00 1.433042304e+01 1.875627183e+01 1.96 4.088169183e+00 1.289385425e+01 1.705659873e+01 1.98 3.311684078e+00 1.155571540e+01 1.546822110e+01 2.00 2.594716829e+00 1.030896413e+01 1.398422687e+01 2.02 1.933494007e+00 9.147250207e+00 1.259830728e+01 2.04 1.324435379e+00 8.064854603e+00 1.130459715e+01 2.06 7.641004498e-01 7.056586637e+00 1.009757221e+01 2.08 2.491741077e-01 6.117698179e+00 8.972012020e+00 2.10 -2.235298147e-01 5.243833527e+00 7.922996340e+00 2.12 -6.570660893e-01 4.430994159e+00 6.945895022e+00 2.14 -1.054359168e+00 3.675493646e+00 6.036326347e+00 2.16 -1.418196030e+00 2.973900601e+00 5.190088833e+00 2.18 -1.751200139e+00 2.322982014e+00 4.403096046e+00 2.20 -2.055792632e+00 1.719657935e+00 3.671350967e+00 2.22 -2.334155290e+00 1.160968464e+00 2.990983846e+00 2.24 -2.588212975e+00 6.440541450e-01 2.358336840e+00 2.26 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2.62 -4.407619689e+00 -4.030413154e+00 -3.697546487e+00 2.64 -4.408494057e+00 -4.107805139e+00 -3.814440682e+00 2.66 -4.404206452e+00 -4.175974835e+00 -3.919493650e+00 2.68 -4.395433076e+00 -4.235630636e+00 -4.013490432e+00 2.70 -4.382422913e+00 -4.287384604e+00 -4.097111645e+00 2.72 -4.364885946e+00 -4.331842657e+00 -4.170951070e+00 2.74 -4.342670063e+00 -4.369452682e+00 -4.235539258e+00 2.76 -4.315744171e+00 -4.400565700e+00 -4.291368190e+00 2.78 -4.284179757e+00 -4.425458401e+00 -4.338914071e+00 2.80 -4.248130979e+00 -4.444379149e+00 -4.378663143e+00 2.82 -4.207814296e+00 -4.457581546e+00 -4.411249494e+00 2.84 -4.163497438e+00 -4.465326114e+00 -4.437144264e+00 2.86 -4.115490836e+00 -4.467881028e+00 -4.456782283e+00 2.88 -4.064120621e+00 -4.465519783e+00 -4.470650682e+00 2.90 -4.009716596e+00 -4.458434537e+00 -4.479268670e+00 2.92 -3.952602699e+00 -4.446989558e+00 -4.483160022e+00 2.94 -3.893086878e+00 -4.431848402e+00 -4.482823166e+00 2.96 -3.831452108e+00 -4.412879690e+00 -4.478705163e+00 2.98 -3.767952353e+00 -4.390002869e+00 -4.471173157e+00 3.00 -3.702814798e+00 -4.363234654e+00 -4.460604610e+00 3.02 -3.636248669e+00 -4.332682265e+00 -4.447378507e+00 3.04 -3.568458239e+00 -4.298532509e+00 -4.431289607e+00 3.06 -3.499656105e+00 -4.261034828e+00 -4.412164610e+00 3.08 -3.430072491e+00 -4.220480626e+00 -4.389877898e+00 3.10 -3.359957264e+00 -4.177188690e+00 -4.364348404e+00 3.12 -3.289573534e+00 -4.131467554e+00 -4.335535717e+00 3.14 -3.219184494e+00 -4.083593480e+00 -4.303435508e+00 3.16 -3.149037521e+00 -4.033802484e+00 -4.268074740e+00 3.18 -3.079350334e+00 -3.982290980e+00 -4.229508704e+00 3.20 -3.010302665e+00 -3.929221018e+00 -4.187825345e+00 3.22 -2.942034363e+00 -3.874727880e+00 -4.143137346e+00 3.24 -2.874648496e+00 -3.818927700e+00 -4.095577242e+00 3.26 -2.808216976e+00 -3.761923812e+00 -4.045300014e+00 3.28 -2.742786616e+00 -3.703811394e+00 -3.992486474e+00 3.30 -2.678384508e+00 -3.644680522e+00 -3.937346437e+00 3.32 -2.615022483e+00 -3.584618050e+00 -3.880119856e+00 3.34 -2.552700762e+00 -3.523708805e+00 -3.821074111e+00 3.36 -2.491411341e+00 -3.462036550e+00 -3.760496377e+00 3.38 -2.431140229e+00 -3.399685081e+00 -3.698681447e+00 3.40 -2.371869875e+00 -3.336739682e+00 -3.635917052e+00 3.42 -2.313580713e+00 -3.273289274e+00 -3.572469882e+00 3.44 -2.256252745e+00 -3.209428673e+00 -3.508575448e+00 3.46 -2.199866194e+00 -3.145261493e+00 -3.444433653e+00 3.48 -2.144402730e+00 -3.080902638e+00 -3.380210037e+00 3.50 -2.089846170e+00 -3.016479941e+00 -3.316040904e+00 3.52 -2.036183530e+00 -2.952134126e+00 -3.252040912e+00 3.54 -1.983405213e+00 -2.888016397e+00 -3.188308529e+00 3.56 -1.931505756e+00 -2.824283372e+00 -3.124931402e+00 3.58 -1.880483910e+00 -2.761089770e+00 -3.061988642e+00 3.60 -1.830342473e+00 -2.698579958e+00 -2.999551502e+00 3.62 -1.781087807e+00 -2.636879952e+00 -2.937682983e+00 3.64 -1.732729071e+00 -2.576091440e+00 -2.876437142e+00 3.66 -1.685277248e+00 -2.516288833e+00 -2.815858626e+00 3.68 -1.638744069e+00 -2.457519559e+00 -2.755982693e+00 3.70 -1.593140937e+00 -2.399807010e+00 -2.696835730e+00 3.72 -1.548477930e+00 -2.343155132e+00 -2.638436140e+00 3.74 -1.504762977e+00 -2.287553593e+00 -2.580795407e+00 3.76 -1.462001213e+00 -2.232982645e+00 -2.523919196e+00 3.78 -1.420194564e+00 -2.179417204e+00 -2.467808389e+00 3.80 -1.379341526e+00 -2.126829927e+00 -2.412460030e+00 3.82 -1.339437137e+00 -2.075193331e+00 -2.357868184e+00 3.84 -1.300473091e+00 -2.024481104e+00 -2.304024760e+00 3.86 -1.262437966e+00 -1.974668805e+00 -2.250920334e+00 3.88 -1.225317518e+00 -1.925734136e+00 -2.198545016e+00 3.90 -1.189095011e+00 -1.877656929e+00 -2.146889386e+00 3.92 -1.153751471e+00 -1.830418903e+00 -2.095945404e+00 3.94 -1.119266205e+00 -1.784003677e+00 -2.045707887e+00 3.96 -1.085616640e+00 -1.738396017e+00 -1.996174942e+00 3.98 -1.052778735e+00 -1.693581834e+00 -1.947349453e+00 4.00 -1.020726986e+00 -1.649547801e+00 -1.899239835e+00 4.02 -9.894344395e-01 -1.606281101e+00 -1.851860614e+00 4.04 -9.588726639e-01 -1.563769236e+00 -1.805232577e+00 4.06 -9.290117009e-01 -1.521999934e+00 -1.759382323e+00 4.08 -8.998200294e-01 -1.480961181e+00 -1.714341114e+00 4.10 -8.712645688e-01 -1.440641190e+00 -1.670143031e+00 4.12 -8.433107528e-01 -1.401029570e+00 -1.626822531e+00 4.14 -8.159227051e-01 -1.362116493e+00 -1.584411698e+00 4.16 -7.890635466e-01 -1.323894244e+00 -1.542937516e+00 4.18 -7.626958621e-01 -1.286357674e+00 -1.502419588e+00 4.20 -7.367822127e-01 -1.249504911e+00 -1.462868582e+00 4.22 -7.112865684e-01 -1.213337978e+00 -1.424285599e+00 4.24 -6.861744604e-01 -1.177863197e+00 -1.386662437e+00 4.26 -6.614148846e-01 -1.143091271e+00 -1.349982606e+00 4.28 -6.369815571e-01 -1.109036941e+00 -1.314222844e+00 4.30 -6.128544350e-01 -1.075718184e+00 -1.279354855e+00 4.32 -5.890212246e-01 -1.043154950e+00 -1.245347053e+00 4.34 -5.654787364e-01 -1.011367552e+00 -1.212166125e+00 4.36 -5.422338715e-01 -9.803748454e-01 -1.179778322e+00 4.38 -5.193042894e-01 -9.501924128e-01 -1.148150434e+00 4.40 -4.967179880e-01 -9.208309460e-01 -1.117250456e+00 4.42 -4.745125001e-01 -8.922950092e-01 -1.087047965e+00 4.44 -4.527330395e-01 -8.645822844e-01 -1.057514264e+00 4.46 -4.314299482e-01 -8.376833361e-01 -1.028622340e+00 4.48 -4.106556065e-01 -8.115818519e-01 -1.000346672e+00 4.50 -3.904611233e-01 -7.862552638e-01 -9.726629637e-01 4.52 -3.708931764e-01 -7.616756265e-01 -9.455475689e-01 4.54 -3.519913980e-01 -7.378106267e-01 -9.189781792e-01 4.56 -3.337865433e-01 -7.146246150e-01 -8.929319229e-01 4.58 -3.162996947e-01 -6.920795817e-01 -8.673862230e-01 4.60 -2.995424536e-01 -6.701360312e-01 -8.423183193e-01 4.62 -2.835180052e-01 -6.487537378e-01 -8.177051754e-01 4.64 -2.682227902e-01 -6.278923922e-01 -7.935234889e-01 4.66 -2.536484508e-01 -6.075121617e-01 -7.697498156e-01 4.68 -2.397837073e-01 -5.875741972e-01 -7.463608148e-01 4.70 -2.266158690e-01 -5.680411231e-01 -7.233336205e-01 4.72 -2.141317805e-01 -5.488775457e-01 -7.006463398e-01 4.74 -2.023181219e-01 -5.300506062e-01 -6.782786736e-01 4.76 -1.911611157e-01 -5.115306003e-01 -6.562126472e-01 4.78 -1.806457987e-01 -4.932916698e-01 -6.344334293e-01 4.80 -1.707550900e-01 -4.753124341e-01 -6.129302038e-01 4.82 -1.614689005e-01 -4.575773056e-01 -5.916970434e-01 4.84 -1.527634967e-01 -4.400764664e-01 -5.707337217e-01 4.86 -1.446112556e-01 -4.228071572e-01 -5.500463816e-01 4.88 -1.369808590e-01 -4.057740981e-01 -5.296479760e-01 4.90 -1.298378908e-01 -3.889898157e-01 -5.095583915e-01 4.92 -1.231457387e-01 -3.724746335e-01 -4.898041814e-01 4.94 -1.168666766e-01 -3.562562430e-01 -4.704178587e-01 4.96 -1.109630008e-01 -3.403687996e-01 -4.514367388e-01 4.98 -1.053981158e-01 -3.248515318e-01 -4.329013708e-01 5.00 -1.001374951e-01 -3.097469041e-01 -4.148536452e-01 5.02 -9.514947255e-02 -2.950984385e-01 -3.973347141e-01 5.04 -9.040584422e-02 -2.809483482e-01 -3.803828867e-01 5.06 -8.588227681e-02 -2.673351806e-01 -3.640316763e-01 5.08 -8.155852502e-02 -2.542916757e-01 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-1.099931051e-01 -1.623810543e-01 5.46 -2.911544979e-02 -1.052598225e-01 -1.556458894e-01 5.48 -2.763127445e-02 -1.006768936e-01 -1.490841837e-01 5.50 -2.622095249e-02 -9.622381878e-02 -1.426727213e-01 5.52 -2.487554322e-02 -9.188226635e-02 -1.363905063e-01 5.54 -2.358672217e-02 -8.763609915e-02 -1.302188519e-01 5.56 -2.234702574e-02 -8.347142924e-02 -1.241418461e-01 5.58 -2.114993779e-02 -7.937669989e-02 -1.181461491e-01 5.60 -1.998989106e-02 -7.534278947e-02 -1.122215396e-01 5.62 -1.886230748e-02 -7.136312846e-02 -1.063610968e-01 5.64 -1.776362169e-02 -6.743381277e-02 -1.005614450e-01 5.66 -1.669128779e-02 -6.355369273e-02 -9.482295406e-02 5.68 -1.564376698e-02 -5.972441614e-02 -8.914986035e-02 5.70 -1.462049270e-02 -5.595039619e-02 -8.355027065e-02 5.72 -1.362180924e-02 -5.223868222e-02 -7.803601369e-02 5.74 -1.264888078e-02 -4.859871473e-02 -7.262231170e-02 5.76 -1.170356922e-02 -4.504195426e-02 -6.732725742e-02 5.78 -1.078828228e-02 -4.158131370e-02 -6.217110034e-02 5.80 -9.905796642e-03 -3.823053230e-02 -5.717537006e-02 5.82 -9.059064508e-03 -3.500384462e-02 -5.236187948e-02 5.84 -8.251014768e-03 -3.191502505e-02 -4.775167803e-02 5.86 -7.484361937e-03 -2.897668198e-02 -4.336403106e-02 5.88 -6.761435971e-03 -2.619964052e-02 -3.921550314e-02 5.90 -6.084044503e-03 -2.359244384e-02 -3.531921182e-02 5.92 -5.453375825e-03 -2.116089574e-02 -3.168419590e-02 5.94 -4.869946720e-03 -1.890783840e-02 -2.831494616e-02 5.96 -4.333594746e-03 -1.683376227e-02 -2.521242443e-02 5.98 -3.843510505e-03 -1.493646055e-02 -2.237356483e-02 6.00 -3.398302345e-03 -1.321127134e-02 -1.979142053e-02