# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Oliveira-D-S-Cotta-M-A--Ga-As-Au # implementation = 2021--Oliveira-D-S--Ga-As-Au--LAMMPS--ipr1 # composition = Ga # 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 2025-07-01 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 5.424404241e+02 nan 0.78 nan nan nan nan nan nan nan nan 4.946178345e+02 nan 0.80 nan nan nan nan nan nan nan nan 4.517404776e+02 nan 0.82 nan nan nan nan nan 3.513717072e+02 nan nan 4.131092702e+02 nan 0.84 nan nan nan nan nan 3.206852989e+02 nan nan 3.782551479e+02 nan 0.86 nan nan nan nan nan 2.928449875e+02 nan nan 3.466560593e+02 nan 0.88 nan nan nan nan nan 2.675353407e+02 nan nan 3.180218322e+02 nan 0.90 nan nan nan nan nan 2.444406706e+02 nan nan 2.919905172e+02 nan 0.92 nan nan nan 5.827842474e+02 5.830616574e+02 2.233659988e+02 nan nan 2.681929268e+02 3.852772791e+02 0.94 nan 3.529623565e+02 nan 5.397917541e+02 5.399979112e+02 2.041619536e+02 3.601718312e+02 nan 2.464951611e+02 3.558883227e+02 0.96 nan 3.257414561e+02 nan 5.004116589e+02 5.005144618e+02 1.866745632e+02 3.330263478e+02 nan 2.265403593e+02 3.289516681e+02 0.98 nan 3.009471389e+02 nan 4.642889298e+02 4.642944987e+02 1.707690552e+02 3.083376402e+02 nan 2.081947853e+02 3.041769477e+02 1.00 nan 2.782497675e+02 nan 4.310536834e+02 4.309617103e+02 1.563105453e+02 2.854965386e+02 nan 1.912089774e+02 2.812746060e+02 1.02 nan 2.572702476e+02 nan 4.004637929e+02 4.003285506e+02 1.431617080e+02 2.642756426e+02 nan 1.752515836e+02 2.600221701e+02 1.04 nan 2.379178712e+02 3.336921456e+02 3.723066288e+02 3.721736409e+02 1.312295004e+02 2.447484379e+02 3.456990586e+02 1.607204644e+02 2.403129774e+02 1.06 3.464440963e+02 2.200187200e+02 3.102322559e+02 3.463319940e+02 3.461947571e+02 1.204190594e+02 2.264364535e+02 3.213710054e+02 1.473563518e+02 2.220609374e+02 1.08 3.224770451e+02 2.035416856e+02 2.887113650e+02 3.224029065e+02 3.222861371e+02 1.106421723e+02 2.094538397e+02 2.990452881e+02 1.348732809e+02 2.051656633e+02 1.10 3.003785591e+02 1.883159125e+02 2.689079892e+02 3.003379024e+02 3.002657371e+02 1.018017708e+02 1.936633699e+02 2.782643325e+02 1.234944890e+02 1.895094641e+02 1.12 2.799661620e+02 1.742662513e+02 2.506148357e+02 2.799383688e+02 2.799056773e+02 9.380230939e+01 1.789572123e+02 2.591413906e+02 1.132078093e+02 1.749902250e+02 1.14 2.610659116e+02 1.613387111e+02 2.336348529e+02 2.610727347e+02 2.610998359e+02 8.654787421e+01 1.653222201e+02 2.414010413e+02 1.036463843e+02 1.615335852e+02 1.16 2.435388398e+02 1.494044319e+02 2.178066859e+02 2.436076445e+02 2.436993668e+02 7.993752615e+01 1.525850185e+02 2.250150946e+02 9.473481507e+01 1.490568902e+02 1.18 2.272765818e+02 1.384219407e+02 2.029924702e+02 2.273894567e+02 2.275295958e+02 7.388518699e+01 1.407334277e+02 2.097577403e+02 8.646224348e+01 1.374794533e+02 1.20 2.121623388e+02 1.282800117e+02 1.891034082e+02 2.123357264e+02 2.125213019e+02 6.833637073e+01 1.297415199e+02 1.955866650e+02 7.897046522e+01 1.267453614e+02 1.22 1.980941334e+02 1.188773964e+02 1.760785308e+02 1.982693692e+02 1.984325291e+02 6.324703000e+01 1.195221925e+02 1.823910959e+02 7.211067131e+01 1.168061219e+02 1.24 1.849831538e+02 1.101867046e+02 1.638717065e+02 1.851295049e+02 1.852549825e+02 5.858520043e+01 1.099799483e+02 1.700465560e+02 6.579395194e+01 1.076090613e+02 1.26 1.727170736e+02 1.020318583e+02 1.524327361e+02 1.728229559e+02 1.729094460e+02 5.432323980e+01 1.011107595e+02 1.584475608e+02 6.007073463e+01 9.909605986e+01 1.28 1.611984220e+02 9.443359458e+01 1.417158495e+02 1.612648228e+02 1.613173563e+02 5.042390544e+01 9.290940268e+01 1.475461837e+02 5.479504779e+01 9.120324099e+01 1.30 1.503360370e+02 8.737166856e+01 1.316811793e+02 1.503634498e+02 1.503839553e+02 4.684974420e+01 8.534979857e+01 1.372611720e+02 5.001232248e+01 8.387599371e+01 1.32 1.400817650e+02 8.066684780e+01 1.222705891e+02 1.400897156e+02 1.400983561e+02 4.355746996e+01 7.834411066e+01 1.275727840e+02 4.564992654e+01 7.707730826e+01 1.34 1.304101465e+02 7.441085284e+01 1.134203177e+02 1.304078459e+02 1.304138821e+02 4.049812975e+01 7.188871640e+01 1.184746100e+02 4.165812782e+01 7.078446261e+01 1.36 1.212878454e+02 6.862825950e+01 1.050688251e+02 1.212790094e+02 1.212831904e+02 3.762305527e+01 6.576142928e+01 1.098585611e+02 3.799766981e+01 6.496593107e+01 1.38 1.126823853e+02 6.300264235e+01 9.717784008e+01 1.126719204e+02 1.126730041e+02 3.489940302e+01 6.007097277e+01 1.017357030e+02 3.463777586e+01 5.958830083e+01 1.40 1.045725721e+02 5.776541381e+01 8.972062399e+01 1.045656951e+02 1.045675784e+02 3.231293332e+01 5.480392361e+01 9.412603046e+01 3.155181420e+01 5.461758228e+01 1.42 9.693451341e+01 5.280457837e+01 8.268488687e+01 9.692657142e+01 9.692561491e+01 2.986571580e+01 4.995873368e+01 8.695007134e+01 2.871316450e+01 5.002258739e+01 1.44 8.974334198e+01 4.802483781e+01 7.604903751e+01 8.972814014e+01 8.971768841e+01 2.755064873e+01 4.546554241e+01 8.020430649e+01 2.610020682e+01 4.577914262e+01 1.46 8.297238430e+01 4.354574873e+01 6.979567945e+01 8.296341055e+01 8.295573891e+01 2.536041382e+01 4.131537375e+01 7.386474818e+01 2.368789714e+01 4.185982567e+01 1.48 7.660268596e+01 3.931380277e+01 6.392133695e+01 7.660326037e+01 7.659846654e+01 2.329385743e+01 3.749703244e+01 6.792400998e+01 2.145753933e+01 3.824724730e+01 1.50 7.061101091e+01 3.531688164e+01 5.841161527e+01 7.062161700e+01 7.062074687e+01 2.134729689e+01 3.397379143e+01 6.232070207e+01 1.939143069e+01 3.492056206e+01 1.52 6.497283863e+01 3.153774396e+01 5.324805071e+01 6.499169163e+01 6.499378380e+01 1.951537103e+01 3.072817130e+01 5.706050092e+01 1.748142987e+01 3.185308255e+01 1.54 5.966522512e+01 2.793844460e+01 4.841484706e+01 5.968936956e+01 5.969461156e+01 1.779368485e+01 2.774665096e+01 5.212002105e+01 1.570503218e+01 2.901496062e+01 1.56 5.466884092e+01 2.460683038e+01 4.389554090e+01 5.469655839e+01 5.470463606e+01 1.617601875e+01 2.501148494e+01 4.749764151e+01 1.407194873e+01 2.637653755e+01 1.58 4.997230868e+01 2.149797722e+01 3.967484551e+01 4.999207685e+01 5.000343688e+01 1.465522867e+01 2.248214857e+01 4.314952347e+01 1.254933453e+01 2.390805308e+01 1.60 4.555899697e+01 1.861091410e+01 3.574414528e+01 4.556805531e+01 4.558053358e+01 1.322530416e+01 2.015004026e+01 3.908477834e+01 1.115448836e+01 2.158927088e+01 1.62 4.141501057e+01 1.594519083e+01 3.209478850e+01 4.141208507e+01 4.142430713e+01 1.188239857e+01 1.796672513e+01 3.526687881e+01 9.834400431e+00 1.941406351e+01 1.64 3.752532445e+01 1.355525585e+01 2.871409864e+01 3.751706117e+01 3.752802061e+01 1.062189929e+01 1.597390705e+01 3.170814732e+01 8.603831212e+00 1.738234671e+01 1.66 3.387451918e+01 1.132427625e+01 2.558978187e+01 3.386483649e+01 3.387405170e+01 9.442069215e+00 1.408743276e+01 2.839153376e+01 7.474466915e+00 1.548692848e+01 1.68 3.045468774e+01 9.395315613e+00 2.270950859e+01 3.044982676e+01 3.045731803e+01 8.342628859e+00 1.233793286e+01 2.534429723e+01 6.403426968e+00 1.372320391e+01 1.70 2.726672479e+01 7.603984373e+00 2.005728758e+01 2.726698379e+01 2.727180191e+01 7.319597819e+00 1.078842179e+01 2.249111240e+01 5.448826546e+00 1.208925800e+01 1.72 2.429970768e+01 6.022673193e+00 1.761690027e+01 2.430167517e+01 2.430346410e+01 6.368535360e+00 9.322098831e+00 1.986858603e+01 4.566129083e+00 1.057808739e+01 1.74 2.154264693e+01 4.640726329e+00 1.537250957e+01 2.155204059e+01 2.155052439e+01 5.484565517e+00 8.002397692e+00 1.742935858e+01 3.764870404e+00 9.182443522e+00 1.76 1.898985778e+01 3.446158570e+00 1.331453232e+01 1.899659213e+01 1.899227570e+01 4.663032792e+00 6.785271391e+00 1.517996020e+01 3.028953991e+00 7.897359704e+00 1.78 1.663330749e+01 2.391275963e+00 1.143816940e+01 1.664079210e+01 1.663425185e+01 3.903243757e+00 5.639644105e+00 1.309597288e+01 2.366530735e+00 6.717163310e+00 1.80 1.446362027e+01 1.543165913e+00 9.735728539e+00 1.447228510e+01 1.446493713e+01 3.203641962e+00 4.592306353e+00 1.120985001e+01 1.768605816e+00 5.635139888e+00 1.82 1.247175737e+01 8.241289754e-01 8.196154408e+00 1.248064961e+01 1.247562505e+01 2.560989418e+00 3.640529202e+00 9.449072203e+00 1.228878573e+00 4.645111997e+00 1.84 1.065186962e+01 2.265377201e-01 6.808391069e+00 1.066004063e+01 1.065706606e+01 1.972101901e+00 2.780403995e+00 7.879152185e+00 7.417638822e-01 3.744623419e+00 1.86 8.995422785e+00 -2.661996507e-01 5.563223783e+00 9.000924173e+00 9.000494073e+00 1.435914374e+00 2.007303206e+00 6.459776034e+00 3.046632134e-01 2.928697898e+00 1.88 7.493065052e+00 -6.698631485e-01 4.450638855e+00 7.495782172e+00 7.496870220e+00 9.510708162e-01 1.304435397e+00 5.187419927e+00 -8.760483235e-02 2.191710697e+00 1.90 6.134208802e+00 -9.996567206e-01 3.458470026e+00 6.131131056e+00 6.133926904e+00 5.148641947e-01 6.917614075e-01 4.031252836e+00 -4.377610705e-01 1.527465181e+00 1.92 4.911276182e+00 -1.269629120e+00 2.574264423e+00 4.904248665e+00 4.906966040e+00 1.246160049e-01 1.587382849e-01 3.011032414e+00 -7.554034499e-01 9.330794960e-01 1.94 3.816162581e+00 -1.492697274e+00 1.786158062e+00 3.805402713e+00 3.806821622e+00 -2.223783990e-01 -2.887827769e-01 2.107734677e+00 -1.030796562e+00 4.051478107e-01 1.96 2.839292029e+00 -1.674013282e+00 1.086019293e+00 2.827241069e+00 2.827683213e+00 -5.288237979e-01 -6.998885524e-01 1.309088404e+00 -1.272524547e+00 -6.132402020e-02 1.98 1.971849996e+00 -1.820196235e+00 4.670117010e-01 1.961415671e+00 1.961560729e+00 -7.974376441e-01 -1.043105276e+00 6.183381104e-01 -1.483342314e+00 -4.714235687e-01 2.00 1.206036070e+00 -1.956815168e+00 -7.755635771e-02 1.200169673e+00 1.200666252e+00 -1.031320353e+00 -1.333547612e+00 2.911347277e-02 -1.665881460e+00 -8.305244639e-01 2.02 5.355718345e-01 -2.077383548e+00 -5.546189196e-01 5.365892063e-01 5.372966338e-01 -1.233488433e+00 -1.574376065e+00 -4.813100496e-01 -1.828995728e+00 -1.141443897e+00 2.04 -4.253871124e-02 -2.187465851e+00 -9.659807526e-01 -3.695026538e-02 -3.610266464e-02 -1.405632510e+00 -1.776191955e+00 -9.096860080e-01 -1.960716742e+00 -1.406498283e+00 2.06 -5.360815481e-01 -2.285267439e+00 -1.318585423e+00 -5.274016782e-01 -5.266472612e-01 -1.551389490e+00 -1.949718575e+00 -1.264203986e+00 -2.069732975e+00 -1.630393358e+00 2.08 -9.523871934e-01 -2.371677380e+00 -1.618375733e+00 -9.434963270e-01 -9.416386043e-01 -1.674079025e+00 -2.095656815e+00 -1.553768307e+00 -2.148293090e+00 -1.817836333e+00 2.10 -1.298786164e+00 -2.447745608e+00 -1.871042158e+00 -1.290105961e+00 -1.288587047e+00 -1.776917168e+00 -2.208971583e+00 -1.787734231e+00 -2.218119892e+00 -1.973534423e+00 2.12 -1.582669218e+00 -2.514854439e+00 -2.082265739e+00 -1.575163786e+00 -1.574220505e+00 -1.863116780e+00 -2.306296743e+00 -1.976162113e+00 -2.271073532e+00 -2.102163861e+00 2.14 -1.812114472e+00 -2.573400693e+00 -2.255905542e+00 -1.806804433e+00 -1.806715708e+00 -1.934068745e+00 -2.390026911e+00 -2.132395276e+00 -2.309764723e+00 -2.207216427e+00 2.16 -1.996122567e+00 -2.623477214e+00 -2.395028083e+00 -1.993782144e+00 -1.994798940e+00 -1.990371405e+00 -2.459346858e+00 -2.261340644e+00 -2.336781829e+00 -2.291762000e+00 2.18 -2.144205429e+00 -2.666292849e+00 -2.504792498e+00 -2.145144574e+00 -2.147279264e+00 -2.034567001e+00 -2.516313170e+00 -2.373701363e+00 -2.354684980e+00 -2.359810648e+00 2.20 -2.265700743e+00 -2.716327368e+00 -2.591032853e+00 -2.269878824e+00 -2.273018508e+00 -2.069204827e+00 -2.563008262e+00 -2.456373127e+00 -2.366102200e+00 -2.415120429e+00 2.22 -2.369886009e+00 -2.746169547e+00 -2.659770935e+00 -2.374333335e+00 -2.377753361e+00 -2.096834500e+00 -2.605695566e+00 -2.545491800e+00 -2.369375612e+00 -2.461351652e+00 2.24 -2.464721756e+00 -2.783517435e+00 -2.716403930e+00 -2.470725317e+00 -2.474741186e+00 -2.119693060e+00 -2.636875254e+00 -2.628274729e+00 -2.375045647e+00 -2.501505946e+00 2.26 -2.553239429e+00 -2.800583543e+00 -2.763638467e+00 -2.559008301e+00 -2.563140270e+00 -2.138651698e+00 -2.662225286e+00 -2.712794398e+00 -2.380592509e+00 -2.536120547e+00 2.28 -2.635919787e+00 -2.811932663e+00 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