# 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 = Al3Fe # 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 1.140593267e+02 nan nan 1.16 1.049316437e+02 nan nan 1.18 9.653607461e+01 nan nan 1.20 8.880421766e+01 nan nan 1.22 8.167616740e+01 nan nan 1.24 7.509995908e+01 nan nan 1.26 6.903092297e+01 nan nan 1.28 6.342933820e+01 9.891401191e+01 1.134112850e+02 1.30 5.825823368e+01 9.160453979e+01 1.052333062e+02 1.32 5.348297627e+01 8.482571950e+01 9.765526401e+01 1.34 4.907141508e+01 7.853534435e+01 9.062861831e+01 1.36 4.499345209e+01 7.269487939e+01 8.410817926e+01 1.38 4.122082338e+01 6.727027768e+01 7.805094291e+01 1.40 3.772783944e+01 6.223122879e+01 7.241600238e+01 1.42 3.449224000e+01 5.754945672e+01 6.716635825e+01 1.44 3.149483009e+01 5.319720816e+01 6.227084751e+01 1.46 2.871804532e+01 4.914696184e+01 5.770411716e+01 1.48 2.614540695e+01 4.537272723e+01 5.344475501e+01 1.50 2.376591704e+01 4.185196026e+01 4.947312530e+01 1.52 2.156445488e+01 3.856643902e+01 4.577008679e+01 1.54 1.952628325e+01 3.550147145e+01 4.231685622e+01 1.56 1.763908341e+01 3.264428177e+01 3.909552605e+01 1.58 1.589246647e+01 2.998263386e+01 3.608951927e+01 1.60 1.427712424e+01 2.750441380e+01 3.328365240e+01 1.62 1.278412559e+01 2.519911937e+01 3.066384839e+01 1.64 1.140463428e+01 2.305823096e+01 2.821681971e+01 1.66 1.013006624e+01 2.107046011e+01 2.593036839e+01 1.68 8.952473065e+00 1.922376363e+01 2.379717985e+01 1.70 7.864843968e+00 1.750704851e+01 2.180705507e+01 1.72 6.861135586e+00 1.591047644e+01 1.994985664e+01 1.74 5.936042925e+00 1.442544090e+01 1.821698672e+01 1.76 5.084649613e+00 1.304426745e+01 1.660110198e+01 1.78 4.302100048e+00 1.175990126e+01 1.509565473e+01 1.80 3.583375388e+00 1.056578026e+01 1.369448348e+01 1.82 2.923200518e+00 9.455874118e+00 1.239152616e+01 1.84 2.316097773e+00 8.424736812e+00 1.118062024e+01 1.86 1.756602242e+00 7.467455631e+00 1.005536679e+01 1.88 1.239601165e+00 6.579482983e+00 9.009117014e+00 1.90 7.606729137e-01 5.756409270e+00 8.035169633e+00 1.92 3.162791958e-01 4.993758937e+00 7.127169643e+00 1.94 -9.624997293e-02 4.286889735e+00 6.279535843e+00 1.96 -4.788836998e-01 3.631044682e+00 5.487689606e+00 1.98 -8.331052547e-01 3.021545370e+00 4.747988243e+00 2.00 -1.160096392e+00 2.454053413e+00 4.057453242e+00 2.02 -1.460864743e+00 1.924801838e+00 3.413464405e+00 2.04 -1.736325861e+00 1.430715317e+00 2.813545238e+00 2.06 -1.987366063e+00 9.693844547e-01 2.255275121e+00 2.08 -2.214907991e+00 5.389183046e-01 1.736297225e+00 2.10 -2.419985047e+00 1.377428061e-01 1.254364889e+00 2.12 -2.603811821e+00 -2.355830042e-01 8.073766560e-01 2.14 -2.767825450e+00 -5.824890348e-01 3.933739483e-01 2.16 -2.913675672e+00 -9.044443010e-01 1.049991710e-02 2.18 -3.043158287e+00 -1.202948243e+00 -3.430653635e-01 2.20 -3.158108168e+00 -1.479486794e+00 -6.691687332e-01 2.22 -3.260281044e+00 -1.735478684e+00 -9.697178845e-01 2.24 -3.351253135e+00 -1.972231634e+00 -1.246663624e+00 2.26 -3.432356781e+00 -2.190917386e+00 -1.501929032e+00 2.28 -3.504656747e+00 -2.392564222e+00 -1.737312720e+00 2.30 -3.568961929e+00 -2.578060417e+00 -1.954408289e+00 2.32 -3.625862141e+00 -2.748163431e+00 -2.154571323e+00 2.34 -3.675777592e+00 -2.903512473e+00 -2.338936953e+00 2.36 -3.719009327e+00 -3.044645795e+00 -2.508468603e+00 2.38 -3.755782538e+00 -3.172024267e+00 -2.664014288e+00 2.40 -3.786279640e+00 -3.286061946e+00 -2.806355905e+00 2.42 -3.811231981e+00 -3.387161991e+00 -2.936247910e+00 2.44 -3.832616356e+00 -3.475753865e+00 -3.054446224e+00 2.46 -3.849932269e+00 -3.552326523e+00 -3.161727254e+00 2.48 -3.862576736e+00 -3.617452511e+00 -3.258893865e+00 2.50 -3.870078636e+00 -3.671800472e+00 -3.346764501e+00 2.52 -3.872070313e+00 -3.716137233e+00 -3.426145251e+00 2.54 -3.868265847e+00 -3.751323400e+00 -3.497791347e+00 2.56 -3.858450737e+00 -3.778305377e+00 -3.562369317e+00 2.58 -3.842496850e+00 -3.798101643e+00 -3.620430837e+00 2.60 -3.820425140e+00 -3.811775926e+00 -3.672403701e+00 2.62 -3.792399274e+00 -3.820755469e+00 -3.718598280e+00 2.64 -3.758724712e+00 -3.826928740e+00 -3.759223584e+00 2.66 -3.719813801e+00 -3.831926699e+00 -3.794406397e+00 2.68 -3.676220426e+00 -3.835639070e+00 -3.824209966e+00 2.70 -3.628616784e+00 -3.837785695e+00 -3.848663179e+00 2.72 -3.577725234e+00 -3.838067669e+00 -3.869106768e+00 2.74 -3.524246918e+00 -3.836170824e+00 -3.885963416e+00 2.76 -3.468805458e+00 -3.831780416e+00 -3.898621857e+00 2.78 -3.411916208e+00 -3.824605797e+00 -3.906598358e+00 2.80 -3.353981314e+00 -3.814399569e+00 -3.909553498e+00 2.82 -3.295303596e+00 -3.800958421e+00 -3.907309056e+00 2.84 -3.236110581e+00 -3.784136338e+00 -3.899862193e+00 2.86 -3.176581257e+00 -3.763794930e+00 -3.887388953e+00 2.88 -3.116870803e+00 -3.739822395e+00 -3.870230839e+00 2.90 -3.057130010e+00 -3.712155041e+00 -3.848882237e+00 2.92 -2.997517778e+00 -3.680775904e+00 -3.823932704e+00 2.94 -2.938205760e+00 -3.645716679e+00 -3.795921003e+00 2.96 -2.879375598e+00 -3.607063637e+00 -3.765290177e+00 2.98 -2.821210513e+00 -3.564966520e+00 -3.732415433e+00 3.00 -2.763883635e+00 -3.519647790e+00 -3.697585243e+00 3.02 -2.707545859e+00 -3.471408255e+00 -3.660998247e+00 3.04 -2.652315622e+00 -3.420624658e+00 -3.622774580e+00 3.06 -2.598272244e+00 -3.367736156e+00 -3.582975231e+00 3.08 -2.545453532e+00 -3.313219182e+00 -3.541623476e+00 3.10 -2.493857478e+00 -3.257554503e+00 -3.498724405e+00 3.12 -2.443447326e+00 -3.201192783e+00 -3.454280666e+00 3.14 -2.394158922e+00 -3.144526199e+00 -3.408304080e+00 3.16 -2.345909257e+00 -3.087871365e+00 -3.360823563e+00 3.18 -2.298605217e+00 -3.031465771e+00 -3.311890036e+00 3.20 -2.252151701e+00 -2.975475634e+00 -3.261578871e+00 3.22 -2.206458526e+00 -2.920011018e+00 -3.209990258e+00 3.24 -2.161445715e+00 -2.865143369e+00 -3.157247574e+00 3.26 -2.117046979e+00 -2.810921517e+00 -3.103494004e+00 3.28 -2.073211413e+00 -2.757383738e+00 -3.048887566e+00 3.30 -2.029903589e+00 -2.704565113e+00 -2.993595005e+00 3.32 -1.987102372e+00 -2.652500563e+00 -2.937785258e+00 3.34 -1.944798842e+00 -2.601224718e+00 -2.881623387e+00 3.36 -1.902993767e+00 -2.550769947e+00 -2.825265922e+00 3.38 -1.861694851e+00 -2.501163812e+00 -2.768858408e+00 3.40 -1.820914220e+00 -2.452426862e+00 -2.712535611e+00 3.42 -1.780666141e+00 -2.404571353e+00 -2.656424282e+00 3.44 -1.740965204e+00 -2.357600949e+00 -2.600647796e+00 3.46 -1.701824800e+00 -2.311511415e+00 -2.545331468e+00 3.48 -1.663256081e+00 -2.266291936e+00 -2.490607007e+00 3.50 -1.625267161e+00 -2.221926746e+00 -2.436614575e+00 3.52 -1.587862620e+00 -2.178396786e+00 -2.383501536e+00 3.54 -1.551043070e+00 -2.135681163e+00 -2.331417236e+00 3.56 -1.514804951e+00 -2.093758290e+00 -2.280505032e+00 3.58 -1.479140317e+00 -2.052606658e+00 -2.230892674e+00 3.60 -1.444036674e+00 -2.012205268e+00 -2.182683162e+00 3.62 -1.409476823e+00 -1.972533746e+00 -2.135947837e+00 3.64 -1.375438697e+00 -1.933572242e+00 -2.090722879e+00 3.66 -1.341895205e+00 -1.895301131e+00 -2.047009482e+00 3.68 -1.308814084e+00 -1.857700624e+00 -2.004777221e+00 3.70 -1.276157808e+00 -1.820750306e+00 -1.963969575e+00 3.72 -1.243883571e+00 -1.784428665e+00 -1.924510437e+00 3.74 -1.211943421e+00 -1.748712659e+00 -1.886310615e+00 3.76 -1.180284597e+00 -1.713577335e+00 -1.849273618e+00 3.78 -1.148850164e+00 -1.678995559e+00 -1.813300378e+00 3.80 -1.117580031e+00 -1.644937865e+00 -1.778292851e+00 3.82 -1.086412444e+00 -1.611372442e+00 -1.744156603e+00 3.84 -1.055286059e+00 -1.578265271e+00 -1.710802606e+00 3.86 -1.024142631e+00 -1.545580403e+00 -1.678148463e+00 3.88 -9.929303610e-01 -1.513280345e+00 -1.646119231e+00 3.90 -9.616078242e-01 -1.481326541e+00 -1.614647996e+00 3.92 -9.301483137e-01 -1.449679876e+00 -1.583676229e+00 3.94 -8.985443433e-01 -1.418301229e+00 -1.553154046e+00 3.96 -8.668117436e-01 -1.387151903e+00 -1.523040140e+00 3.98 -8.349929399e-01 -1.356194100e+00 -1.493301651e+00 4.00 -8.031586303e-01 -1.325391300e+00 -1.463913758e+00 4.02 -7.714072944e-01 -1.294708655e+00 -1.434859049e+00 4.04 -7.398620653e-01 -1.264113421e+00 -1.406126720e+00 4.06 -7.086648290e-01 -1.233575520e+00 -1.377711616e+00 4.08 -6.779678509e-01 -1.203068312e+00 -1.349613177e+00 4.10 -6.479236929e-01 -1.172569608e+00 -1.321834358e+00 4.12 -6.186745685e-01 -1.142063156e+00 -1.294380570e+00 4.14 -5.903424608e-01 -1.111540147e+00 -1.267258696e+00 4.16 -5.630212493e-01 -1.081001285e+00 -1.240476207e+00 4.18 -5.367717643e-01 -1.050458810e+00 -1.214040416e+00 4.20 -5.116201767e-01 -1.019938448e+00 -1.187957846e+00 4.22 -4.875597518e-01 -9.894809635e-01 -1.162233748e+00 4.24 -4.645551362e-01 -9.591429638e-01 -1.136871711e+00 4.26 -4.425488104e-01 -9.289966483e-01 -1.111873392e+00 4.28 -4.214685016e-01 -8.991282216e-01 -1.087238305e+00 4.30 -4.012348670e-01 -8.696348677e-01 -1.062963691e+00 4.32 -3.817687428e-01 -8.406203632e-01 -1.039044413e+00 4.34 -3.629974449e-01 -8.121896384e-01 -1.015472892e+00 4.36 -3.448597576e-01 -7.844427929e-01 -9.922390513e-01 4.38 -3.273094218e-01 -7.574691954e-01 -9.693302718e-01 4.40 -3.103169151e-01 -7.313423080e-01 -9.467313450e-01 4.42 -2.938696284e-01 -7.061157713e-01 -9.244244245e-01 4.44 -2.779704326e-01 -6.818210826e-01 -9.023889731e-01 4.46 -2.626348830e-01 -6.584669607e-01 -8.806017080e-01 4.48 -2.478873769e-01 -6.360402551e-01 -8.590365499e-01 4.50 -2.337566959e-01 -6.145080899e-01 -8.376645819e-01 4.52 -2.202714200e-01 -5.938208383e-01 -8.164539987e-01 4.54 -2.074557013e-01 -5.739155182e-01 -7.953702597e-01 4.56 -1.953258084e-01 -5.547192519e-01 -7.743759487e-01 4.58 -1.838877282e-01 -5.361525272e-01 -7.534310695e-01 4.60 -1.731359462e-01 -5.181320981e-01 -7.324932585e-01 4.62 -1.630533682e-01 -5.005734601e-01 -7.115181686e-01 4.64 -1.536122175e-01 -4.833929102e-01 -6.904600205e-01 4.66 -1.447756621e-01 -4.665092516e-01 -6.692723565e-01 4.68 -1.364998981e-01 -4.498452360e-01 -6.479090329e-01 4.70 -1.287364325e-01 -4.333288409e-01 -6.263254827e-01 4.72 -1.214343581e-01 -4.168944767e-01 -6.044802735e-01 4.74 -1.145424686e-01 -4.004842007e-01 -5.823369660e-01 4.76 -1.080111227e-01 -3.840489856e-01 -5.598662620e-01 4.78 -1.017938150e-01 -3.675500587e-01 -5.370483924e-01 4.80 -9.584843626e-02 -3.509602731e-01 -5.138756604e-01 4.82 -9.013824511e-02 -3.342655457e-01 -4.903550056e-01 4.84 -8.463255387e-02 -3.174660005e-01 -4.665104058e-01 4.86 -7.930693941e-02 -3.005770277e-01 -4.423848911e-01 4.88 -7.414359974e-02 -2.836298227e-01 -4.180419121e-01 4.90 -6.913181254e-02 -2.666713497e-01 -3.935658001e-01 4.92 -6.426683226e-02 -2.497635582e-01 -3.690610882e-01 4.94 -5.954934930e-02 -2.329817532e-01 -3.446505309e-01 4.96 -5.498470418e-02 -2.164120921e-01 -3.204717734e-01 4.98 -5.058188170e-02 -2.001482795e-01 -2.966727643e-01 5.00 -4.635235446e-02 -1.842876305e-01 -2.734061599e-01 5.02 -4.230885443e-02 -1.689267689e-01 -2.508231106e-01 5.04 -3.846415146e-02 -1.541572879e-01 -2.290669178e-01 5.06 -3.482993239e-02 -1.400617215e-01 -2.082670887e-01 5.08 -3.141587271e-02 -1.267101467e-01 -1.885342781e-01 5.10 -2.822893015e-02 -1.141576671e-01 -1.699565037e-01 5.12 -2.527290027e-02 -1.024429271e-01 -1.525968664e-01 5.14 -2.254823622e-02 -9.158766390e-02 -1.364928353e-01 5.16 -2.005175643e-02 -8.159724190e-02 -1.216569903e-01 5.18 -1.777740100e-02 -7.246198615e-02 -1.080789898e-01 5.20 -1.571707235e-02 -6.415912312e-02 -9.572844369e-02 5.22 -1.386041446e-02 -5.665509276e-02 -8.455835055e-02 5.24 -1.219537438e-02 -4.990799739e-02 -7.450878495e-02 5.26 -1.070875682e-02 -4.386997556e-02 -6.551050407e-02 5.28 -9.386733042e-03 -3.848904392e-02 -5.748831229e-02 5.30 -8.215282354e-03 -3.371202967e-02 -5.036400336e-02 5.32 -7.180555906e-03 -2.948574091e-02 -4.405887885e-02 5.34 -6.269160729e-03 -2.575802087e-02 -3.849573689e-02 5.36 -5.468368451e-03 -2.247876814e-02 -3.360036150e-02 5.38 -4.766256916e-03 -1.960014777e-02 -2.930196325e-02 5.40 -4.151794918e-03 -1.707817428e-02 -2.553527218e-02 5.42 -3.614880784e-03 -1.487267141e-02 -2.224050402e-02 5.44 -3.146345126e-03 -1.294684471e-02 -1.936258150e-02 5.46 -2.737926988e-03 -1.126732628e-02 -1.685194506e-02 5.48 -2.382231318e-03 -9.804099302e-03 -1.466413465e-02 5.50 -2.072674253e-03 -8.530341684e-03 -1.275930935e-02 5.52 -1.803421381e-03 -7.422219115e-03 -1.110199347e-02 5.54 -1.569322909e-03 -6.458650405e-03 -9.660753936e-03 5.56 -1.365848631e-03 -5.621061653e-03 -8.407892048e-03 5.58 -1.189024771e-03 -4.893140954e-03 -7.319037717e-03 5.60 -1.035374037e-03 -4.260601574e-03 -6.372843108e-03 5.62 -9.018597610e-04 -3.710958581e-03 -5.550645262e-03 5.64 -7.858345485e-04 -3.233321873e-03 -4.836160624e-03 5.66 -6.849936096e-04 -2.818206963e-03 -4.215204594e-03 5.68 -5.973327236e-04 -2.457363842e-03 -3.675437120e-03 5.70 -5.211106559e-04 -2.143623494e-03 -3.206134086e-03 5.72 -4.548157615e-04 -1.870761205e-03 -2.797983408e-03 5.74 -3.971364559e-04 -1.633375497e-03 -2.442904268e-03 5.76 -3.469352172e-04 -1.426781397e-03 -2.133887641e-03 5.78 -3.032257755e-04 -1.246916711e-03 -1.864856181e-03 5.80 -2.651531582e-04 -1.090259962e-03 -1.630541511e-03 5.82 -2.319762752e-04 -9.537587426e-04 -1.426377049e-03 5.84 -2.030527509e-04 -8.347672792e-04 -1.248404609e-03 5.86 -1.778257364e-04 -7.309921289e-04 -1.093193159e-03 5.88 -1.558124573e-04 -6.404450155e-04 -9.577682477e-04 5.90 -1.365942805e-04 -5.614019111e-04 -8.395507857e-04 5.92 -1.198081062e-04 -4.923675731e-04 -7.363039771e-04 5.94 -1.051389135e-04 -4.320448289e-04 -6.460873622e-04 5.96 -9.231330757e-05 -3.793079889e-04 -5.672170358e-04 5.98 -8.109393740e-05 -3.331798430e-04 -4.982312267e-04 6.00 -7.127466689e-05 -2.928117623e-04 -4.378605258e-04