# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Ni # 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 nan nan 0.80 nan nan nan nan nan nan nan nan 4.013521489e+05 nan 0.82 nan nan nan nan nan nan nan nan 2.982810059e+05 nan 0.84 nan nan nan nan nan nan nan nan 2.232538770e+05 nan 0.86 nan nan nan nan nan nan nan nan 1.682275085e+05 nan 0.88 nan nan nan nan nan 1.553273798e+05 nan nan 1.275794340e+05 nan 0.90 nan nan nan nan nan 1.185373858e+05 nan nan 9.734641503e+04 nan 0.92 nan nan nan nan nan 9.099226480e+04 nan nan 7.471244876e+04 nan 0.94 nan nan nan nan nan 7.023954000e+04 nan nan 5.766139901e+04 nan 0.96 nan nan nan nan nan 5.451046919e+04 nan nan 4.473925705e+04 nan 0.98 nan nan nan nan nan 4.252051148e+04 nan nan 3.489008990e+04 nan 1.00 nan 2.967418935e+04 nan 1.001744678e+05 1.001761605e+05 3.333053029e+04 nan nan 2.734192406e+04 5.114871841e+04 1.02 nan 2.335249643e+04 nan 7.889814167e+04 7.889947300e+04 2.624951097e+04 3.476618942e+04 nan 2.152676387e+04 4.027886417e+04 1.04 nan 1.845879221e+04 nan 6.242085763e+04 6.242190958e+04 2.076587573e+04 2.749580897e+04 nan 1.702412426e+04 3.186147058e+04 1.06 nan 1.465226789e+04 nan 4.959813257e+04 4.959896747e+04 1.649865198e+04 2.183899212e+04 nan 1.352088465e+04 2.531158714e+04 1.08 nan 1.167771397e+04 nan 3.957281718e+04 3.957348264e+04 1.316251697e+04 1.741716275e+04 nan 1.078255165e+04 2.019113147e+04 1.10 nan 9.342980825e+03 nan 3.169945172e+04 3.169998427e+04 1.054261690e+04 1.394525894e+04 nan 8.632557092e+03 1.617022431e+04 1.12 2.548900119e+04 7.502638023e+03 1.910529463e+04 2.548942963e+04 2.548985724e+04 8.476313421e+03 1.120750630e+04 2.027218596e+04 6.937251608e+03 1.299915835e+04 1.14 2.057066336e+04 6.046059759e+03 1.541474727e+04 2.057100876e+04 2.057135292e+04 6.839870911e+03 9.039751260e+03 1.635662483e+04 5.594961113e+03 1.048795848e+04 1.16 1.665970361e+04 4.888687262e+03 1.248049369e+04 1.665998180e+04 1.666025935e+04 5.538690467e+03 7.316503328e+03 1.324342930e+04 4.527960454e+03 8.491388582e+03 1.18 1.353781840e+04 3.965583587e+03 1.013859663e+04 1.353804217e+04 1.353826645e+04 4.500109436e+03 5.941379209e+03 1.075868005e+04 3.676553020e+03 6.897893179e+03 1.20 1.103656263e+04 3.226655594e+03 8.262565859e+03 1.103674298e+04 1.103692493e+04 3.668061818e+03 4.840015832e+03 8.768184842e+03 2.994681223e+03 5.621398999e+03 1.22 9.025393215e+03 2.633091679e+03 6.754378686e+03 9.025539694e+03 9.025688178e+03 2.999098705e+03 3.954788162e+03 7.167951397e+03 2.446655263e+03 4.595204919e+03 1.24 7.402713337e+03 2.154695330e+03 5.537751999e+03 7.402833928e+03 7.402955807e+03 2.459406526e+03 3.240853849e+03 5.877050682e+03 2.004702672e+03 3.767403393e+03 1.26 6.089131967e+03 1.767876852e+03 4.553079134e+03 6.089232681e+03 6.089333248e+03 2.022562587e+03 2.663175775e+03 4.832245032e+03 1.647123805e+03 3.097433554e+03 1.28 5.022365441e+03 1.454136321e+03 3.753600278e+03 5.022450211e+03 5.022533579e+03 1.667838449e+03 2.194270107e+03 3.983925626e+03 1.356897160e+03 2.553476642e+03 1.30 4.153363576e+03 1.198909663e+03 3.102492457e+03 4.153434922e+03 4.153504110e+03 1.378910239e+03 1.812496093e+03 3.293026469e+03 1.120620185e+03 2.110477133e+03 1.32 3.443354796e+03 9.906898357e+02 2.570651749e+03 3.443414261e+03 3.443471482e+03 1.142875281e+03 1.500751127e+03 2.728670070e+03 9.277010792e+02 1.748631627e+03 1.34 2.861583147e+03 8.203530582e+02 2.134993239e+03 2.861631422e+03 2.861678426e+03 9.494989391e+02 1.245471376e+03 2.266363807e+03 7.697396124e+02 1.452231282e+03 1.36 2.383565811e+03 6.806399829e+02 1.777141996e+03 2.383603835e+03 2.383642116e+03 7.906344866e+02 1.035861933e+03 1.886612435e+03 6.400505320e+02 1.208772354e+03 1.38 1.989748881e+03 5.657556570e+02 1.482423533e+03 1.989778226e+03 1.989809172e+03 6.597751548e+02 8.633024717e+02 1.573846947e+03 5.332957649e+02 1.008268982e+03 1.40 1.664464332e+03 4.710588323e+02 1.239080927e+03 1.664486825e+03 1.664511683e+03 5.517072185e+02 7.208867133e+02 1.315593549e+03 4.451991050e+02 8.427205979e+02 1.42 1.395117843e+03 3.928211300e+02 1.037664598e+03 1.395135485e+03 1.395155498e+03 4.622401078e+02 6.030643179e+02 1.101826849e+03 3.723242755e+02 7.056976069e+02 1.44 1.171555191e+03 3.280389886e+02 8.705561190e+02 1.171569889e+03 1.171586313e+03 3.879953618e+02 5.053614778e+02 9.244644567e+02 3.119016253e+02 5.920169032e+02 1.46 9.855656406e+02 2.742852889e+02 7.315957829e+02 9.855788348e+02 9.855927261e+02 3.262413313e+02 4.241614252e+02 7.769715595e+02 2.616922425e+02 4.974879310e+02 1.48 8.304905161e+02 2.295930180e+02 6.157892131e+02 8.305031191e+02 8.305152540e+02 2.747630722e+02 3.565320188e+02 6.540493776e+02 2.198811452e+02 4.187125012e+02 1.50 7.009148723e+02 1.923639415e+02 5.190759493e+02 7.009272701e+02 7.009381464e+02 2.317598066e+02 3.000895121e+02 5.513893987e+02 1.849928216e+02 3.529274667e+02 1.52 5.924234420e+02 1.612958436e+02 4.381454809e+02 5.924354723e+02 5.924453565e+02 1.957632958e+02 2.528908322e+02 4.654789554e+02 1.558245534e+02 2.978800115e+02 1.54 5.014064607e+02 1.353247612e+02 3.702916950e+02 5.014176051e+02 5.014266169e+02 1.655733508e+02 2.133478486e+02 3.934464283e+02 1.313932247e+02 2.517287093e+02 1.56 4.249046359e+02 1.135794292e+02 3.132968201e+02 4.249145323e+02 4.249227294e+02 1.402061396e+02 1.801593321e+02 3.329382507e+02 1.108932775e+02 2.129645080e+02 1.58 3.604863735e+02 9.534491397e+01 2.653387122e+02 3.604947922e+02 3.605021393e+02 1.188530589e+02 1.522566340e+02 2.820208440e+02 9.366305855e+01 1.803478285e+02 1.60 3.061487806e+02 8.003319964e+01 2.249170505e+02 3.061555414e+02 3.061619099e+02 1.008482226e+02 1.287600008e+02 2.391017661e+02 7.915790695e+01 1.528578129e+02 1.62 2.602383214e+02 6.715926298e+01 1.907934034e+02 2.602431644e+02 2.602483602e+02 8.564201776e+01 1.089434873e+02 2.028663878e+02 6.692838391e+01 1.296518852e+02 1.64 2.213863647e+02 5.632205857e+01 1.619427055e+02 2.213892168e+02 2.213930788e+02 7.277950793e+01 9.220682130e+01 1.722270099e+02 5.660284330e+01 1.100326090e+02 1.66 1.884578806e+02 4.718950973e+01 1.375149130e+02 1.884588722e+02 1.884613359e+02 6.188338593e+01 7.805241863e+01 1.462817258e+02 4.787338614e+01 9.342167035e+01 1.68 1.605096255e+02 3.948614747e+01 1.168037070e+02 1.605090426e+02 1.605101968e+02 5.264006741e+01 6.606683528e+01 1.242811869e+02 4.048427563e+01 7.933858880e+01 1.70 1.367560892e+02 3.298299783e+01 9.922100336e+01 1.367543593e+02 1.367544085e+02 4.478837433e+01 5.590586021e+01 1.056015995e+02 3.422254895e+01 6.738330649e+01 1.72 1.165418831e+02 2.748913938e+01 8.427628363e+01 1.165394087e+02 1.165385984e+02 3.811039739e+01 4.728236637e+01 8.972258846e+01 2.891057936e+01 5.722212927e+01 1.74 9.931879438e+01 2.284513507e+01 7.155970619e+01 9.931610057e+01 9.931474145e+01 3.242402376e+01 3.995644617e+01 7.620909874e+01 2.439998192e+01 4.857627127e+01 1.76 8.462753480e+01 1.891773380e+01 6.072807925e+01 8.462519207e+01 8.462360581e+01 2.757681485e+01 3.372732051e+01 6.469685910e+01 2.056659236e+01 4.121249996e+01 1.78 7.208270449e+01 1.559540823e+01 5.149330568e+01 7.208119993e+01 7.207968052e+01 2.344083008e+01 2.842669475e+01 5.488032265e+01 1.730631633e+01 3.493529041e+01 1.80 6.136037403e+01 1.278470976e+01 4.361323345e+01 6.136006247e+01 6.135885910e+01 1.990853844e+01 2.391320157e+01 4.650270999e+01 1.453168704e+01 2.958008623e+01 1.82 5.218788219e+01 1.040718729e+01 3.688407542e+01 5.218888018e+01 5.218817861e+01 1.688945608e+01 2.006784448e+01 3.934785434e+01 1.216908863e+01 2.500823153e+01 1.84 4.433541342e+01 8.396686628e+00 3.113394677e+01 4.433748737e+01 4.433738901e+01 1.430719352e+01 1.679039409e+01 3.323349075e+01 1.015652297e+01 2.110284802e+01 1.86 3.760863496e+01 6.697359025e+00 2.621769770e+01 3.761135428e+01 3.761188399e+01 1.209718672e+01 1.399625601e+01 2.800555537e+01 8.441714930e+00 1.776517252e+01 1.88 3.184276037e+01 5.262056510e+00 2.201264560e+01 3.184575221e+01 3.184688630e+01 1.020482732e+01 1.161388976e+01 2.353359219e+01 6.980448955e+00 1.491153905e+01 1.90 2.689811841e+01 4.050971800e+00 1.841498377e+01 2.690109409e+01 2.690276101e+01 8.583858791e+00 9.582722387e+00 1.970713092e+01 5.735273878e+00 1.247105400e+01 1.92 2.265617875e+01 3.030495792e+00 1.533679250e+01 2.265888409e+01 2.266096780e+01 7.195059651e+00 7.851431955e+00 1.643242992e+01 4.674459590e+00 1.038357522e+01 1.94 1.901608306e+01 2.172199630e+00 1.270336881e+01 1.901839190e+01 1.902077437e+01 6.005145941e+00 6.376390020e+00 1.362985151e+01 3.771118982e+00 8.597977501e+00 1.96 1.589192523e+01 1.452033834e+00 1.045100005e+01 1.589384256e+01 1.589641084e+01 4.985753228e+00 5.120349802e+00 1.123170976e+01 3.002419006e+00 7.070762388e+00 1.98 1.321059321e+01 8.495710546e-01 8.525191048e+00 1.321212741e+01 1.321473552e+01 4.112603005e+00 4.051559643e+00 9.180320993e+00 2.348885129e+00 5.764912546e+00 2.00 1.090977516e+01 3.473579914e-01 6.879434210e+00 1.091087899e+01 1.091334472e+01 3.364970940e+00 3.142950195e+00 7.426445212e+00 1.793914934e+00 4.648909000e+00 2.02 8.936163107e+00 -6.954194157e-02 5.474036709e+00 8.936774993e+00 8.938907041e+00 2.725159297e+00 2.371429918e+00 5.927985702e+00 1.323377939e+00 3.695799010e+00 2.04 7.244060622e+00 -4.138856294e-01 4.275096563e+00 7.244167842e+00 7.245800108e+00 2.178030366e+00 1.717298879e+00 4.648927899e+00 9.252444161e-01 2.882475941e+00 2.06 5.794330256e+00 -6.965545880e-01 3.253536517e+00 5.793975485e+00 5.794978690e+00 1.710563575e+00 1.163751700e+00 3.558464415e+00 5.892300651e-01 2.189191434e+00 2.08 4.553434854e+00 -9.268295852e-01 2.384449979e+00 4.552694123e+00 4.552986266e+00 1.311591803e+00 6.964326551e-01 2.630228688e+00 3.065060215e-01 1.599072538e+00 2.10 3.492617016e+00 -1.112621932e+00 1.646487442e+00 3.491544982e+00 3.491102495e+00 9.715387309e-01 3.030340084e-01 1.841614447e+00 6.948034788e-02 1.097702624e+00 2.12 2.587104053e+00 -1.260667577e+00 1.021316850e+00 2.585773402e+00 2.584643015e+00 6.821783970e-01 -2.698989289e-02 1.173167530e+00 -1.283708104e-01 6.726702305e-01 2.14 1.815546116e+00 -1.376690033e+00 4.931910198e-01 1.814074164e+00 1.812375203e+00 4.364438157e-01 -3.026476660e-01 6.081413038e-01 -2.926627543e-01 3.133143786e-01 2.16 1.159579541e+00 -1.465556385e+00 4.858251226e-02 1.158066215e+00 1.155935295e+00 2.282655600e-01 -5.316702106e-01 1.321310754e-01 -4.282141763e-01 1.050793242e-02 2.18 6.034060638e-01 -1.531477219e+00 -3.241250943e-01 6.018992765e-01 5.994621252e-01 5.243539371e-02 -7.207404474e-01 -2.672776417e-01 -5.391563897e-01 -2.435676827e-01 2.20 1.334396580e-01 -1.578079255e+00 -6.348983903e-01 1.319274504e-01 1.292978675e-01 -9.550898468e-02 -8.755912771e-01 -6.007595761e-01 -6.290371978e-01 -4.556002785e-01 2.22 -2.620366667e-01 -1.608474568e+00 -8.923140234e-01 -2.636208532e-01 -2.663430578e-01 -2.194007879e-01 -1.001123421e+00 -8.775284218e-01 -7.009023436e-01 -6.313337794e-01 2.24 -5.932751258e-01 -1.625341236e+00 -1.103878967e+00 -5.949776803e-01 -5.976888876e-01 -3.225929269e-01 -1.101551577e+00 -1.105603945e+00 -7.573778269e-01 -7.758206899e-01 2.26 -8.691832965e-01 -1.630970019e+00 -1.276098096e+00 -8.710047795e-01 -8.735965904e-01 -4.079792741e-01 -1.180502500e+00 -1.291923204e+00 -8.007364179e-01 -8.934502492e-01 2.28 -1.097472741e+00 -1.627296031e+00 -1.414579098e+00 -1.099360808e+00 -1.101725712e+00 -4.780396542e-01 -1.241073277e+00 -1.442476954e+00 -8.329341371e-01 -9.880108909e-01 2.30 -1.284819146e+00 -1.615948737e+00 -1.524156730e+00 -1.286664567e+00 -1.288701726e+00 -5.348982546e-01 -1.285939964e+00 -1.562434449e+00 -8.556590813e-01 -1.062771274e+00 2.32 -1.436994142e+00 -1.598298187e+00 -1.608992866e+00 -1.438670707e+00 -1.440293060e+00 -5.803675781e-01 -1.317407354e+00 -1.656240911e+00 -8.703857222e-01 -1.120544540e+00 2.34 -1.558958272e+00 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