# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe-Cr-H # implementation = 2022--Starikov-S--Fe-Cr-H--LAMMPS--ipr1 # composition = H # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 2.150271107e+01 nan 0.80 nan nan nan nan nan nan nan nan 2.105604816e+01 nan 0.82 nan nan nan nan nan nan nan nan 2.068833935e+01 nan 0.84 nan nan nan nan nan 1.568477267e+01 nan nan 2.037151919e+01 nan 0.86 nan nan nan nan nan 9.210554230e+00 nan nan 2.008889471e+01 nan 0.88 nan nan nan nan nan 5.388620029e+00 nan nan 1.448250755e+01 nan 0.90 nan nan nan nan nan 2.899630227e+00 nan nan 8.411699326e+00 nan 0.92 nan nan nan nan nan 1.307893655e+00 nan nan 4.676571537e+00 nan 0.94 nan nan nan 2.239496756e+01 2.239193003e+01 3.607111085e-01 nan nan 2.374211457e+00 2.015542489e+01 0.96 nan 1.798972037e+01 nan 2.193699625e+01 2.194532013e+01 -1.810399627e-01 1.849460529e+01 nan 9.766130439e-01 1.738437115e+01 0.98 nan 1.050784051e+01 nan 2.148592350e+01 2.149902100e+01 -5.073736069e-01 1.142966193e+01 nan 1.555994578e-01 1.136069891e+01 1.00 nan 5.530086746e+00 nan 2.106213212e+01 2.107619218e+01 -7.415148654e-01 6.813528572e+00 nan -2.908408780e-01 7.004496189e+00 1.02 nan 2.533206492e+00 nan 2.068089570e+01 2.069525709e+01 -9.759847613e-01 3.883807922e+00 nan -5.497104064e-01 3.996426293e+00 1.04 nan 8.218657536e-01 nan 2.032197291e+01 2.033265122e+01 -1.274585581e+00 1.991407804e+00 nan -7.321291413e-01 2.012336783e+00 1.06 nan -1.260492150e-01 nan 1.997135507e+01 1.997229042e+01 -1.540915355e+00 7.780728811e-01 1.602495367e+01 -9.414695014e-01 8.234790174e-01 1.08 1.628123865e+01 -6.176203304e-01 6.598050424e+00 1.733729406e+01 1.775125048e+01 -1.751206137e+00 2.197226224e-02 9.855739384e+00 -1.199400359e+00 1.100607630e-01 1.10 1.027942119e+01 -8.580473283e-01 3.552610463e+00 1.055418555e+01 1.063919240e+01 -1.949100404e+00 -4.044582972e-01 5.842216134e+00 -1.446578240e+00 -3.475235584e-01 1.12 6.352754427e+00 -9.767511609e-01 1.631433453e+00 6.103333266e+00 6.038353357e+00 -2.141483856e+00 -6.466429647e-01 3.156652367e+00 -1.661233410e+00 -6.380125705e-01 1.14 3.542130164e+00 -1.075007676e+00 4.405997514e-01 3.165048252e+00 3.045821624e+00 -2.292924428e+00 -8.036641953e-01 1.341991637e+00 -1.854647204e+00 -8.195868664e-01 1.16 1.546991484e+00 -1.193507219e+00 -2.565739646e-01 1.284650502e+00 1.166259675e+00 -2.404366433e+00 -9.449863386e-01 1.879877795e-01 -2.010758676e+00 -9.898328694e-01 1.18 3.046510822e-01 -1.323830957e+00 -6.186060948e-01 1.879798756e-01 1.111137119e-01 -2.491989800e+00 -1.122422673e+00 -4.680881332e-01 -2.108022855e+00 -1.251147422e+00 1.20 -3.921983035e-01 -1.448255695e+00 -8.084085781e-01 -4.074215938e-01 -4.356750903e-01 -2.570870842e+00 -1.331546618e+00 -8.007913369e-01 -2.169211962e+00 -1.531606724e+00 1.22 -7.605778657e-01 -1.574434084e+00 -9.141616793e-01 -7.239188445e-01 -7.217189294e-01 -2.648685660e+00 -1.551119163e+00 -9.549069595e-01 -2.235069690e+00 -1.739112758e+00 1.24 -9.376381156e-01 -1.691373563e+00 -9.827219742e-01 -9.005941012e-01 -8.877579741e-01 -2.696645468e+00 -1.762727542e+00 -1.030386028e+00 -2.317703334e+00 -1.887855743e+00 1.26 -1.028825657e+00 -1.785177878e+00 -1.100783822e+00 -1.009078483e+00 -9.973375334e-01 -2.699066051e+00 -1.943524424e+00 -1.126348147e+00 -2.388736489e+00 -1.989957066e+00 1.28 -1.120905546e+00 -1.840832844e+00 -1.250866454e+00 -1.110841816e+00 -1.098886382e+00 -2.682791210e+00 -2.053623438e+00 -1.261376542e+00 -2.427324101e+00 -2.054000558e+00 1.30 -1.237074916e+00 -1.874225630e+00 -1.386043211e+00 -1.241485608e+00 -1.230213152e+00 -2.668324216e+00 -2.099058857e+00 -1.392757442e+00 -2.431136841e+00 -2.103570228e+00 1.32 -1.354456641e+00 -1.909222008e+00 -1.487281918e+00 -1.370985035e+00 -1.361708574e+00 -2.662349963e+00 -2.127049072e+00 -1.498250014e+00 -2.412124661e+00 -2.163667513e+00 1.34 -1.458165373e+00 -1.961943184e+00 -1.587890189e+00 -1.477137989e+00 -1.466590813e+00 -2.660428129e+00 -2.167748254e+00 -1.596955909e+00 -2.379088769e+00 -2.238260254e+00 1.36 -1.555906451e+00 -2.033363290e+00 -1.698004278e+00 -1.563156137e+00 -1.549604402e+00 -2.659546388e+00 -2.221421099e+00 -1.701034927e+00 -2.343859414e+00 -2.303866504e+00 1.38 -1.667649946e+00 -2.104383059e+00 -1.797888243e+00 -1.653583992e+00 -1.639796482e+00 -2.655298212e+00 -2.264341292e+00 -1.799413340e+00 -2.313416585e+00 -2.348706894e+00 1.40 -1.782028278e+00 -2.155449403e+00 -1.861677493e+00 -1.752304130e+00 -1.744348213e+00 -2.644407881e+00 -2.288944488e+00 -1.874617226e+00 -2.289638356e+00 -2.372734867e+00 1.42 -1.867668420e+00 -2.187989186e+00 -1.909375611e+00 -1.838650272e+00 -1.837408908e+00 -2.628525416e+00 -2.297988365e+00 -1.919135032e+00 -2.274708984e+00 -2.375233894e+00 1.44 -1.914136928e+00 -2.212762205e+00 -1.969282696e+00 -1.895312336e+00 -1.896148539e+00 -2.608778127e+00 -2.297292727e+00 -1.951015922e+00 -2.266912289e+00 -2.353218637e+00 1.46 -1.943608840e+00 -2.228721585e+00 -2.054072449e+00 -1.933680709e+00 -1.933580391e+00 -2.586691437e+00 -2.287895370e+00 -1.984557631e+00 -2.264873498e+00 -2.317747799e+00 1.48 -1.965627574e+00 -2.234332550e+00 -2.138353397e+00 -1.965789844e+00 -1.965203136e+00 -2.562606979e+00 -2.268884918e+00 -2.025791326e+00 -2.264494107e+00 -2.281793850e+00 1.50 -1.994559901e+00 -2.231148466e+00 -2.190016774e+00 -2.003058271e+00 -2.003834620e+00 -2.535734450e+00 -2.245029101e+00 -2.070910072e+00 -2.263593893e+00 -2.255690075e+00 1.52 -2.034737442e+00 -2.220181055e+00 -2.210874855e+00 -2.048724309e+00 -2.052085218e+00 -2.505340186e+00 -2.222243596e+00 -2.111680417e+00 -2.259892898e+00 -2.238730748e+00 1.54 -2.085145977e+00 -2.200588631e+00 -2.213175312e+00 -2.099308429e+00 -2.103888436e+00 -2.469565027e+00 -2.199371703e+00 -2.145155561e+00 -2.252359028e+00 -2.227565109e+00 1.56 -2.128881362e+00 -2.173076384e+00 -2.200851811e+00 -2.143963417e+00 -2.148287542e+00 -2.425468295e+00 -2.178607132e+00 -2.167760731e+00 -2.242729113e+00 -2.221339871e+00 1.58 -2.155917731e+00 -2.141349173e+00 -2.181342481e+00 -2.171542245e+00 -2.175639194e+00 -2.370923192e+00 -2.161769902e+00 -2.180234313e+00 -2.230588533e+00 -2.216687050e+00 1.60 -2.168457583e+00 -2.107894498e+00 -2.161987894e+00 -2.181985402e+00 -2.188838664e+00 -2.306728623e+00 -2.145969510e+00 -2.186836996e+00 -2.215076031e+00 -2.210358235e+00 1.62 -2.178392005e+00 -2.069211214e+00 -2.150277190e+00 -2.184790950e+00 -2.194866820e+00 -2.233311705e+00 -2.132668441e+00 -2.190920863e+00 -2.197645736e+00 -2.202564708e+00 1.64 -2.187580504e+00 -2.024359382e+00 -2.151411521e+00 -2.184902718e+00 -2.197437198e+00 -2.158132769e+00 -2.122460209e+00 -2.191557722e+00 -2.178636643e+00 -2.193631142e+00 1.66 -2.193712009e+00 -1.977819854e+00 -2.163297252e+00 -2.183791662e+00 -2.197177785e+00 -2.090203040e+00 -2.112810432e+00 -2.188526664e+00 -2.157778848e+00 -2.187391984e+00 1.68 -2.196729649e+00 -1.938775930e+00 -2.178851647e+00 -2.182702266e+00 -2.194729385e+00 -2.030879790e+00 -2.103236731e+00 -2.178159220e+00 -2.132713907e+00 -2.186345144e+00 1.70 -2.193158527e+00 -1.913441781e+00 -2.191879235e+00 -2.179947339e+00 -2.189513297e+00 -1.983630384e+00 -2.089588834e+00 -2.158077437e+00 -2.100703923e+00 -2.188497962e+00 1.72 -2.177369235e+00 -1.893846439e+00 -2.196501770e+00 -2.171581785e+00 -2.178777579e+00 -1.941774565e+00 -2.068148449e+00 -2.130343390e+00 -2.063638375e+00 -2.193471522e+00 1.74 -2.153069819e+00 -1.870111784e+00 -2.184788746e+00 -2.157348616e+00 -2.162596136e+00 -1.889975230e+00 -2.040013877e+00 -2.098990436e+00 -2.025174050e+00 -2.199337506e+00 1.76 -2.121795139e+00 -1.837982167e+00 -2.150500164e+00 -2.136660107e+00 -2.140423804e+00 -1.824115252e+00 -2.009859671e+00 -2.066534208e+00 -1.984537446e+00 -2.200313386e+00 1.78 -2.087205281e+00 -1.799348855e+00 -2.091010061e+00 -2.110564579e+00 -2.113005304e+00 -1.744909106e+00 -1.982479117e+00 -2.037041884e+00 -1.941679186e+00 -2.193834792e+00 1.80 -2.054331236e+00 -1.762732956e+00 -2.012856220e+00 -2.082409359e+00 -2.083925648e+00 -1.656496151e+00 -1.964597668e+00 -2.013202367e+00 -1.898167423e+00 -2.178206383e+00 1.82 -2.026241972e+00 -1.735982239e+00 -1.925163116e+00 -2.055650222e+00 -2.057368755e+00 -1.566120432e+00 -1.956308310e+00 -1.997468630e+00 -1.854246443e+00 -2.152564061e+00 1.84 -2.005326813e+00 -1.726522952e+00 -1.834813846e+00 -2.030341638e+00 -2.032312028e+00 -1.474798420e+00 -1.948772589e+00 -1.989789179e+00 -1.806306801e+00 -2.118801613e+00 1.86 -1.993463112e+00 -1.731023382e+00 -1.749929837e+00 -2.006674691e+00 -2.007457475e+00 -1.378547883e+00 -1.939396076e+00 -1.985697951e+00 -1.751157545e+00 -2.080926100e+00 1.88 -1.992124920e+00 -1.737353994e+00 -1.682761521e+00 -1.985953140e+00 -1.982485360e+00 -1.294470541e+00 -1.929511838e+00 -1.980459006e+00 -1.692653492e+00 -2.043412735e+00 1.90 -1.994521712e+00 -1.734991707e+00 -1.639874869e+00 -1.964683583e+00 -1.953060195e+00 -1.228440758e+00 -1.920152754e+00 -1.966868063e+00 -1.635464927e+00 -2.002796501e+00 1.92 -1.994243600e+00 -1.717664050e+00 -1.622547639e+00 -1.941062633e+00 -1.917741399e+00 -1.180867494e+00 -1.911031865e+00 -1.940270628e+00 -1.582814789e+00 -1.959926895e+00 1.94 -1.985057327e+00 -1.683746230e+00 -1.626113143e+00 -1.915404150e+00 -1.879950477e+00 -1.148325146e+00 -1.904163886e+00 -1.899412373e+00 -1.533502405e+00 -1.915685325e+00 1.96 -1.963121571e+00 -1.637636259e+00 -1.644198593e+00 -1.885415695e+00 -1.840734085e+00 -1.129946483e+00 -1.898681901e+00 -1.844024662e+00 -1.487938158e+00 -1.871366458e+00 1.98 -1.922441695e+00 -1.588280747e+00 -1.668723396e+00 -1.847885238e+00 -1.799695034e+00 -1.124307932e+00 -1.891288095e+00 -1.774014847e+00 -1.442628177e+00 -1.824133120e+00 2.00 -1.857719102e+00 -1.547756837e+00 -1.696960524e+00 -1.801226598e+00 -1.757469262e+00 -1.130964570e+00 -1.880170742e+00 -1.693891484e+00 -1.395303665e+00 -1.769870244e+00 2.02 -1.772503531e+00 -1.525739642e+00 -1.724605754e+00 -1.744485249e+00 -1.711057007e+00 -1.145557129e+00 -1.863619585e+00 -1.615250493e+00 -1.348361153e+00 -1.711672646e+00 2.04 -1.677894144e+00 -1.523419463e+00 -1.748374655e+00 -1.680725459e+00 -1.660605936e+00 -1.164160140e+00 -1.834935861e+00 -1.549339829e+00 -1.304106111e+00 -1.654070416e+00 2.06 -1.589823996e+00 -1.540713741e+00 -1.767366716e+00 -1.617111904e+00 -1.610565592e+00 -1.183430535e+00 -1.794204809e+00 -1.507786281e+00 -1.265947538e+00 -1.599268726e+00 2.08 -1.522490798e+00 -1.574163404e+00 -1.780691295e+00 -1.563344238e+00 -1.568534890e+00 -1.198014302e+00 -1.743715309e+00 -1.493789809e+00 -1.238788684e+00 -1.552339367e+00 2.10 -1.474310552e+00 -1.615627656e+00 -1.776625690e+00 -1.521346883e+00 -1.536888381e+00 -1.195944627e+00 -1.686254776e+00 -1.500469705e+00 -1.222193256e+00 -1.502581727e+00 2.12 -1.453307992e+00 -1.659217565e+00 -1.758203184e+00 -1.498219215e+00 -1.521084690e+00 -1.179868915e+00 -1.624724332e+00 -1.523393360e+00 -1.214447121e+00 -1.450914611e+00 2.14 -1.460475898e+00 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