# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = NbW3 # 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 2025-12-17 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 2.117734428e+02 nan nan 0.98 1.960864529e+02 nan nan 1.00 1.826349955e+02 nan nan 1.02 1.709715351e+02 nan nan 1.04 1.600442127e+02 nan nan 1.06 1.500622377e+02 2.032335136e+02 nan 1.08 1.411593461e+02 1.903766192e+02 2.197795260e+02 1.10 1.330743742e+02 1.778399202e+02 2.060868962e+02 1.12 1.247724818e+02 1.663963680e+02 1.930495164e+02 1.14 1.172611482e+02 1.557549749e+02 1.805124353e+02 1.16 1.101280656e+02 1.467672770e+02 1.692522541e+02 1.18 1.036994687e+02 1.380476638e+02 1.585479086e+02 1.20 9.765501358e+01 1.292563729e+02 1.480569832e+02 1.22 9.290969045e+01 1.220641357e+02 1.389243074e+02 1.24 8.817784405e+01 1.158391585e+02 1.312208311e+02 1.26 8.335863064e+01 1.099205755e+02 1.231412920e+02 1.28 7.889519695e+01 1.050164454e+02 1.156141330e+02 1.30 7.463898550e+01 1.007187695e+02 1.089824869e+02 1.32 7.083462442e+01 9.595103806e+01 1.031165541e+02 1.34 6.721580175e+01 9.124744292e+01 9.805169575e+01 1.36 6.350276103e+01 8.687192259e+01 9.291984309e+01 1.38 6.016842824e+01 8.335741990e+01 8.803400379e+01 1.40 5.740346042e+01 7.995154993e+01 8.419412324e+01 1.42 5.447733807e+01 7.610840960e+01 8.102369683e+01 1.44 5.152702629e+01 7.225834042e+01 7.749573768e+01 1.46 4.869791324e+01 6.878029786e+01 7.417796810e+01 1.48 4.601448438e+01 6.598038755e+01 7.107480268e+01 1.50 4.309258304e+01 6.326785005e+01 6.799032120e+01 1.52 4.018676760e+01 6.016588508e+01 6.463257604e+01 1.54 3.757104079e+01 5.694915155e+01 6.135512880e+01 1.56 3.536765003e+01 5.369840288e+01 5.825423858e+01 1.58 3.341182210e+01 5.059079208e+01 5.542510046e+01 1.60 3.131697567e+01 4.779163230e+01 5.273982647e+01 1.62 2.924266056e+01 4.512843346e+01 4.984135102e+01 1.64 2.722684383e+01 4.233657612e+01 4.699747282e+01 1.66 2.529559785e+01 3.957599355e+01 4.437589213e+01 1.68 2.354036959e+01 3.699287755e+01 4.217212312e+01 1.70 2.182448961e+01 3.451917147e+01 4.047706633e+01 1.72 2.001163557e+01 3.213068302e+01 3.868740868e+01 1.74 1.821861151e+01 2.992120110e+01 3.657907089e+01 1.76 1.646332727e+01 2.801476803e+01 3.448320638e+01 1.78 1.477351592e+01 2.642296912e+01 3.238814650e+01 1.80 1.319433623e+01 2.490560676e+01 3.038213797e+01 1.82 1.179940086e+01 2.325181166e+01 2.854763859e+01 1.84 1.055811957e+01 2.158935232e+01 2.688084180e+01 1.86 9.281873497e+00 2.004711860e+01 2.525855449e+01 1.88 8.128938378e+00 1.859194635e+01 2.355160937e+01 1.90 7.072836501e+00 1.719214354e+01 2.193474608e+01 1.92 6.076238560e+00 1.584232653e+01 2.044591421e+01 1.94 5.143818371e+00 1.454839045e+01 1.904296451e+01 1.96 4.288269442e+00 1.330653570e+01 1.763778096e+01 1.98 3.529328285e+00 1.214481952e+01 1.622811441e+01 2.00 2.874447831e+00 1.111059242e+01 1.485238039e+01 2.02 2.298726503e+00 1.023231135e+01 1.355890777e+01 2.04 1.705021884e+00 9.487177257e+00 1.238855602e+01 2.06 1.090059356e+00 8.680485738e+00 1.132155569e+01 2.08 5.035018775e-01 7.674416542e+00 1.020931042e+01 2.10 -5.736356944e-02 6.644492841e+00 9.140688013e+00 2.12 -7.644299793e-01 5.643724478e+00 8.121609222e+00 2.14 -1.808662101e+00 4.679514165e+00 7.144002677e+00 2.16 -2.758766705e+00 3.747666100e+00 6.192600946e+00 2.18 -3.715706138e+00 2.847293967e+00 5.234970716e+00 2.20 -4.541362151e+00 1.974439935e+00 4.249820176e+00 2.22 -5.240351612e+00 1.164987978e+00 3.300489470e+00 2.24 -5.775508466e+00 4.406806707e-01 2.441088321e+00 2.26 -6.165683925e+00 -2.047817704e-01 1.687461996e+00 2.28 -6.442378812e+00 -7.801584427e-01 1.061223351e+00 2.30 -6.743859809e+00 -1.300396063e+00 6.080762277e-01 2.32 -7.089105920e+00 -1.776841929e+00 2.890194801e-01 2.34 -7.390864794e+00 -2.298056922e+00 -1.098713283e-01 2.36 -7.605767638e+00 -3.136568579e+00 -8.805928069e-01 2.38 -7.782608684e+00 -4.055308356e+00 -2.061726559e+00 2.40 -7.930092118e+00 -4.778260027e+00 -2.992706855e+00 2.42 -8.049210456e+00 -5.311213894e+00 -3.745077045e+00 2.44 -8.149926253e+00 -5.659714313e+00 -4.364353542e+00 2.46 -8.241505849e+00 -5.970971803e+00 -4.872523701e+00 2.48 -8.313011109e+00 -6.334359326e+00 -5.306638213e+00 2.50 -8.369465012e+00 -6.679749955e+00 -5.676182277e+00 2.52 -8.420444077e+00 -6.982299430e+00 -6.006539996e+00 2.54 -8.481616373e+00 -7.235989918e+00 -6.303403017e+00 2.56 -8.547260314e+00 -7.486263806e+00 -6.570074213e+00 2.58 -8.585707453e+00 -7.724203297e+00 -6.797336064e+00 2.60 -8.582096951e+00 -7.936296085e+00 -6.983528312e+00 2.62 -8.531391458e+00 -8.112646854e+00 -7.134392426e+00 2.64 -8.426359208e+00 -8.244615811e+00 -7.268215453e+00 2.66 -8.270787278e+00 -8.340211992e+00 -7.399830917e+00 2.68 -8.100899686e+00 -8.412808274e+00 -7.539367223e+00 2.70 -7.975947979e+00 -8.467839158e+00 -7.670557813e+00 2.72 -7.923740987e+00 -8.507537217e+00 -7.761739270e+00 2.74 -7.874144536e+00 -8.532815518e+00 -7.770865395e+00 2.76 -7.820146850e+00 -8.547570002e+00 -7.748138330e+00 2.78 -7.759560763e+00 -8.553316451e+00 -7.786655260e+00 2.80 -7.686229585e+00 -8.548682895e+00 -7.855313118e+00 2.82 -7.602430105e+00 -8.533209938e+00 -7.935461499e+00 2.84 -7.511616850e+00 -8.505752147e+00 -8.015456373e+00 2.86 -7.417730894e+00 -8.467973265e+00 -8.062538109e+00 2.88 -7.325293195e+00 -8.423049494e+00 -8.056563061e+00 2.90 -7.237467329e+00 -8.377799264e+00 -8.044322601e+00 2.92 -7.156331869e+00 -8.334711076e+00 -8.046414755e+00 2.94 -7.081728001e+00 -8.285258830e+00 -8.033671145e+00 2.96 -7.012324942e+00 -8.227442969e+00 -8.012172225e+00 2.98 -6.942549146e+00 -8.155324919e+00 -7.974708547e+00 3.00 -6.867441346e+00 -8.074378353e+00 -7.913044266e+00 3.02 -6.786984998e+00 -7.996345528e+00 -7.845345179e+00 3.04 -6.700850642e+00 -7.938150079e+00 -7.798502330e+00 3.06 -6.605267556e+00 -7.889764263e+00 -7.760516413e+00 3.08 -6.486993272e+00 -7.839691914e+00 -7.723099929e+00 3.10 -6.320824293e+00 -7.789305665e+00 -7.683119461e+00 3.12 -6.181781611e+00 -7.724932587e+00 -7.631018968e+00 3.14 -6.044678638e+00 -7.627747825e+00 -7.562282252e+00 3.16 -5.891694456e+00 -7.490396274e+00 -7.485113960e+00 3.18 -5.768733818e+00 -7.319696053e+00 -7.408232277e+00 3.20 -5.575885635e+00 -7.131151514e+00 -7.337999680e+00 3.22 -5.237887771e+00 -6.959955201e+00 -7.276574085e+00 3.24 -4.951752518e+00 -6.841162651e+00 -7.220713872e+00 3.26 -4.739294025e+00 -6.754514769e+00 -7.166978023e+00 3.28 -4.594558316e+00 -6.640950175e+00 -7.106291971e+00 3.30 -4.497677277e+00 -6.516230145e+00 -7.039549055e+00 3.32 -4.421591567e+00 -6.383773888e+00 -6.978060015e+00 3.34 -4.348159937e+00 -6.234372985e+00 -6.928892727e+00 3.36 -4.271073492e+00 -6.087005480e+00 -6.917173612e+00 3.38 -4.178444851e+00 -5.946659844e+00 -6.949908263e+00 3.40 -4.061024057e+00 -5.841713381e+00 -6.975878195e+00 3.42 -3.932973582e+00 -5.752965440e+00 -6.990652627e+00 3.44 -3.794140454e+00 -5.680522503e+00 -6.977511582e+00 3.46 -3.664547772e+00 -5.621384972e+00 -6.929957479e+00 3.48 -3.546668368e+00 -5.548790419e+00 -6.862076547e+00 3.50 -3.431307764e+00 -5.479282660e+00 -6.773577687e+00 3.52 -3.323768500e+00 -5.403046535e+00 -6.665777761e+00 3.54 -3.232842086e+00 -5.346676028e+00 -6.550799442e+00 3.56 -3.156987793e+00 -5.320133715e+00 -6.435929630e+00 3.58 -3.091943595e+00 -5.319707829e+00 -6.353553782e+00 3.60 -3.044139365e+00 -5.332501754e+00 -6.300979255e+00 3.62 -3.004359755e+00 -5.345485747e+00 -6.249194114e+00 3.64 -2.962033600e+00 -5.340398060e+00 -6.195920824e+00 3.66 -2.925070274e+00 -5.312020256e+00 -6.139888797e+00 3.68 -2.907134035e+00 -5.267592255e+00 -6.080196027e+00 3.70 -2.901755947e+00 -5.214105926e+00 -6.013567344e+00 3.72 -2.874111856e+00 -5.157955032e+00 -5.941242731e+00 3.74 -2.818034778e+00 -5.102599553e+00 -5.864280863e+00 3.76 -2.754301740e+00 -5.038066902e+00 -5.776027430e+00 3.78 -2.708968873e+00 -4.952708935e+00 -5.673788646e+00 3.80 -2.668225969e+00 -4.840307044e+00 -5.535141481e+00 3.82 -2.670158977e+00 -4.671369591e+00 -5.362931421e+00 3.84 -2.717468099e+00 -4.453374195e+00 -5.183991579e+00 3.86 -2.757734939e+00 -4.209375453e+00 -4.977076828e+00 3.88 -2.799935945e+00 -3.945770310e+00 -4.621291375e+00 3.90 -2.832202966e+00 -3.678278871e+00 -4.220332176e+00 3.92 -2.843589483e+00 -3.420768674e+00 -3.828444431e+00 3.94 -2.838108882e+00 -3.187722251e+00 -3.466007539e+00 3.96 -2.823798061e+00 -2.979848083e+00 -3.134336400e+00 3.98 -2.810248053e+00 -2.799666461e+00 -2.829307507e+00 4.00 -2.802694093e+00 -2.650239710e+00 -2.541287382e+00 4.02 -2.801212942e+00 -2.528680863e+00 -2.270617055e+00 4.04 -2.804166434e+00 -2.429223043e+00 -2.018258129e+00 4.06 -2.810308974e+00 -2.345545349e+00 -1.779037529e+00 4.08 -2.819309400e+00 -2.271340389e+00 -1.558763378e+00 4.10 -2.831795422e+00 -2.201395189e+00 -1.382771404e+00 4.12 -2.847905665e+00 -2.133506597e+00 -1.269443977e+00 4.14 -2.864479939e+00 -2.069717981e+00 -1.206377082e+00 4.16 -2.876030645e+00 -2.013193767e+00 -1.161824639e+00 4.18 -2.877519144e+00 -1.968629793e+00 -1.116165237e+00 4.20 -2.866626678e+00 -1.937593644e+00 -1.056422211e+00 4.22 -2.843250212e+00 -1.923842022e+00 -9.808478984e-01 4.24 -2.808455865e+00 -1.931181218e+00 -9.065384844e-01 4.26 -2.766079897e+00 -1.957140681e+00 -8.505126845e-01 4.28 -2.721277294e+00 -1.997610944e+00 -8.359784971e-01 4.30 -2.679266006e+00 -2.048812451e+00 -8.815080036e-01 4.32 -2.644139003e+00 -2.107562320e+00 -9.871900355e-01 4.34 -2.617472387e+00 -2.170886542e+00 -1.140213944e+00 4.36 -2.599769135e+00 -2.236282817e+00 -1.311244810e+00 4.38 -2.587741238e+00 -2.301144046e+00 -1.472921464e+00 4.40 -2.575947408e+00 -2.362367483e+00 -1.613681371e+00 4.42 -2.559080194e+00 -2.417039010e+00 -1.735744313e+00 4.44 -2.534608704e+00 -2.463366022e+00 -1.842369497e+00 4.46 -2.501429329e+00 -2.500055872e+00 -1.935378113e+00 4.48 -2.459149958e+00 -2.527665130e+00 -2.016746779e+00 4.50 -2.411063048e+00 -2.549538415e+00 -2.090249978e+00 4.52 -2.362671639e+00 -2.569116021e+00 -2.159560759e+00 4.54 -2.317797775e+00 -2.589779683e+00 -2.228447042e+00 4.56 -2.276047192e+00 -2.614846284e+00 -2.300682412e+00 4.58 -2.236286383e+00 -2.646880276e+00 -2.379910721e+00 4.60 -2.196945825e+00 -2.686689815e+00 -2.469220933e+00 4.62 -2.154053395e+00 -2.731696025e+00 -2.566421809e+00 4.64 -2.102898709e+00 -2.776853609e+00 -2.664578554e+00 4.66 -2.046402886e+00 -2.817368648e+00 -2.756675396e+00 4.68 -1.991745874e+00 -2.848884079e+00 -2.837437952e+00 4.70 -1.947543195e+00 -2.868349977e+00 -2.903274454e+00 4.72 -1.923457770e+00 -2.874120491e+00 -2.950970058e+00 4.74 -1.928056886e+00 -2.865164050e+00 -2.978127587e+00 4.76 -1.958946683e+00 -2.844169528e+00 -2.987471645e+00 4.78 -2.000317797e+00 -2.815430193e+00 -2.983662829e+00 4.80 -2.039099441e+00 -2.783192714e+00 -2.971148461e+00 4.82 -2.063754350e+00 -2.750180027e+00 -2.954317016e+00 4.84 -2.062396659e+00 -2.717873137e+00 -2.937599678e+00 4.86 -2.026764168e+00 -2.687736831e+00 -2.925468806e+00 4.88 -1.962788562e+00 -2.660183048e+00 -2.920903415e+00 4.90 -1.881361857e+00 -2.632453347e+00 -2.922590973e+00 4.92 -1.791785404e+00 -2.601524805e+00 -2.928311695e+00 4.94 -1.702445856e+00 -2.568211403e+00 -2.935815722e+00 4.96 -1.626258727e+00 -2.535374851e+00 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