# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe # implementation = 2021--Starikov-S--Fe--LAMMPS--ipr1 # composition = Fe # 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 4.600383183e+02 nan 0.80 nan nan nan nan nan nan nan nan 4.580584323e+02 nan 0.82 nan nan nan nan nan nan nan nan 4.562610993e+02 nan 0.84 nan nan nan nan nan 4.520771898e+02 nan nan 4.547170121e+02 nan 0.86 nan nan nan nan nan 4.510892564e+02 nan nan 4.533640390e+02 nan 0.88 nan nan nan nan nan 4.503097449e+02 nan nan 4.521965983e+02 nan 0.90 nan nan nan nan nan 4.497287930e+02 nan nan 4.512304439e+02 nan 0.92 nan nan nan nan nan 4.493084230e+02 nan nan 4.505486810e+02 nan 0.94 nan nan nan 4.609549478e+02 4.609395985e+02 4.490219362e+02 nan nan 4.500086307e+02 4.535378957e+02 0.96 nan 4.537874669e+02 nan 4.597973732e+02 4.598722408e+02 4.487474004e+02 4.530909299e+02 nan 4.495531105e+02 4.523993241e+02 0.98 nan 4.528925862e+02 nan 4.586546442e+02 4.587576427e+02 4.484742747e+02 4.519017691e+02 nan 4.491796225e+02 4.514649982e+02 1.00 nan 4.520107841e+02 nan 4.575429473e+02 4.576447366e+02 4.481439749e+02 4.508375513e+02 nan 4.489246750e+02 4.506949695e+02 1.02 nan 4.511440009e+02 nan 4.565700412e+02 4.566861888e+02 4.477188833e+02 4.499345302e+02 nan 4.487636376e+02 4.500240319e+02 1.04 nan 4.502979080e+02 nan 4.557388532e+02 4.558554464e+02 4.472279846e+02 4.491994675e+02 nan 4.485922348e+02 4.494332775e+02 1.06 nan 4.494182025e+02 nan 4.548213927e+02 4.549373362e+02 4.467427144e+02 4.485771130e+02 4.536323379e+02 4.484144780e+02 4.488749768e+02 1.08 4.536711951e+02 4.485351535e+02 4.518261850e+02 4.538505211e+02 4.539520665e+02 4.463175815e+02 4.480451216e+02 4.526265318e+02 4.482117954e+02 4.483709359e+02 1.10 4.527026574e+02 4.477248000e+02 4.509361856e+02 4.528537574e+02 4.529256899e+02 4.459651817e+02 4.475701200e+02 4.516964561e+02 4.479836500e+02 4.478970939e+02 1.12 4.518048663e+02 4.470127821e+02 4.501471473e+02 4.518534460e+02 4.518777944e+02 4.456064559e+02 4.471599474e+02 4.508508882e+02 4.477433583e+02 4.474634612e+02 1.14 4.509648260e+02 4.464126200e+02 4.493983573e+02 4.508806828e+02 4.508461266e+02 4.452187877e+02 4.468328397e+02 4.500252799e+02 4.476180652e+02 4.470648018e+02 1.16 4.501572986e+02 4.459285004e+02 4.486956487e+02 4.499713570e+02 4.498819925e+02 4.447940097e+02 4.465656452e+02 4.492621439e+02 4.476058061e+02 4.466667941e+02 1.18 4.493991971e+02 4.455330918e+02 4.480705298e+02 4.491709286e+02 4.490440218e+02 4.443476805e+02 4.463321536e+02 4.485784056e+02 4.476573194e+02 4.462597500e+02 1.20 4.486847816e+02 4.451830093e+02 4.475166700e+02 4.484889558e+02 4.483445724e+02 4.438841804e+02 4.460698018e+02 4.479416691e+02 4.476369075e+02 4.458631416e+02 1.22 4.480298432e+02 4.448994441e+02 4.470013985e+02 4.479118952e+02 4.477745437e+02 4.434051956e+02 4.457860183e+02 4.473652810e+02 4.474714545e+02 4.455267043e+02 1.24 4.474430755e+02 4.447050121e+02 4.465060326e+02 4.474079792e+02 4.473001555e+02 4.429316281e+02 4.454777154e+02 4.468441419e+02 4.472165085e+02 4.452868603e+02 1.26 4.469311811e+02 4.446163860e+02 4.460256548e+02 4.469607956e+02 4.469026180e+02 4.122766264e+02 4.451538880e+02 4.463694697e+02 4.468463056e+02 4.451468381e+02 1.28 4.464708179e+02 4.446265842e+02 4.455818905e+02 4.465427852e+02 4.465450823e+02 3.008732046e+02 4.448343019e+02 4.459280443e+02 4.464234772e+02 4.450448395e+02 1.30 4.460471771e+02 4.447186742e+02 4.451951015e+02 4.461497898e+02 4.462098348e+02 2.233319523e+02 4.445625035e+02 4.455301968e+02 4.460056797e+02 4.449470675e+02 1.32 4.456443666e+02 4.448749494e+02 4.448667046e+02 4.457583533e+02 4.458597403e+02 1.681425624e+02 4.443273124e+02 4.451522843e+02 4.455708810e+02 4.448021774e+02 1.34 4.452756849e+02 4.450928542e+02 4.445787333e+02 4.453765008e+02 4.454948433e+02 1.245691053e+02 4.441141536e+02 4.448072580e+02 4.451425860e+02 4.446335923e+02 1.36 4.449338994e+02 4.453286043e+02 4.443075621e+02 4.450166674e+02 4.451391420e+02 8.904756792e+01 4.439423052e+02 4.445051877e+02 3.429361359e+02 4.444517288e+02 1.38 4.446142850e+02 4.455658407e+02 4.440565166e+02 4.446851855e+02 4.448023233e+02 6.095340363e+01 4.438311787e+02 4.442479778e+02 2.560809582e+02 4.442613471e+02 1.40 4.443218486e+02 4.458150125e+02 4.438322436e+02 4.443849577e+02 4.444851779e+02 4.140235030e+01 4.437484393e+02 4.440156525e+02 1.914478045e+02 4.440530033e+02 1.42 4.440619837e+02 4.460414092e+02 4.436363301e+02 4.441134108e+02 4.441862091e+02 2.837504813e+01 4.436629302e+02 4.437952959e+02 1.446785011e+02 4.438136834e+02 1.44 4.438410904e+02 4.462058716e+02 4.434603396e+02 4.438748805e+02 4.439159389e+02 1.979786718e+01 4.435771515e+02 4.436044626e+02 1.089848379e+02 4.435434060e+02 1.46 4.436581667e+02 4.463006295e+02 4.433107740e+02 4.436685568e+02 4.436767678e+02 1.344150344e+01 4.434690990e+02 4.434518806e+02 8.116444178e+01 4.432457694e+02 1.48 4.435142248e+02 4.462919037e+02 4.432040798e+02 4.434959303e+02 4.434715897e+02 8.674914127e+00 4.433419230e+02 4.433375963e+02 5.918817250e+01 3.859444448e+02 1.50 4.433958565e+02 4.450087718e+02 4.431526997e+02 4.433628474e+02 4.433127597e+02 5.423891405e+00 4.152701770e+02 4.432561771e+02 4.224274973e+01 3.006563890e+02 1.52 4.433004870e+02 3.867516817e+02 4.431553117e+02 4.432622989e+02 4.431945207e+02 3.187975339e+00 3.246391842e+02 4.431988646e+02 2.904343054e+01 2.393080577e+02 1.54 4.432196376e+02 3.199270273e+02 4.431994319e+02 4.431810210e+02 4.431032202e+02 1.648520626e+00 2.574595448e+02 4.431572258e+02 1.950194383e+01 1.927765392e+02 1.56 4.431543648e+02 2.654508185e+02 4.432705353e+02 4.431110357e+02 4.430276530e+02 5.664556569e-01 2.060632212e+02 4.431284546e+02 1.280663834e+01 1.553299178e+02 1.58 4.431143267e+02 2.219402212e+02 4.433222251e+02 4.430564099e+02 4.429715515e+02 -2.512468312e-01 1.653734948e+02 4.431108821e+02 7.985442225e+00 1.226262396e+02 1.60 4.430953881e+02 1.840070258e+02 4.433697970e+02 4.430201589e+02 4.429406752e+02 -8.653342532e-01 1.313481113e+02 4.431004261e+02 4.448850577e+00 9.371905678e+01 1.62 4.430858974e+02 1.473753703e+02 4.434045300e+02 4.429984289e+02 4.429318479e+02 -1.310460902e+00 1.031311857e+02 4.430884535e+02 1.987567507e+00 6.983061058e+01 1.64 4.430764045e+02 1.136181774e+02 4.434294049e+02 4.429902681e+02 4.429425062e+02 -1.596515488e+00 7.999599107e+01 4.430701095e+02 3.410140397e-01 5.125021787e+01 1.66 4.430599153e+02 8.522103888e+01 4.266172498e+02 4.429949254e+02 4.429687192e+02 -1.760382674e+00 6.115220988e+01 4.195272798e+02 -7.370622807e-01 3.786714204e+01 1.68 4.430395078e+02 6.330150057e+01 3.746159784e+02 4.430116902e+02 4.430077863e+02 -1.842906258e+00 4.564134185e+01 3.541528535e+02 -1.438708912e+00 2.791623059e+01 1.70 3.872671929e+02 4.725076831e+01 3.228001792e+02 4.012431917e+02 4.043051061e+02 -1.866095852e+00 3.258997841e+01 2.997559667e+02 -1.879338665e+00 2.037585869e+01 1.72 3.284462051e+02 3.486369073e+01 2.684774470e+02 3.454082897e+02 3.475659068e+02 -1.866114754e+00 2.200196632e+01 2.558527194e+02 -2.128618346e+00 1.484520413e+01 1.74 2.813398768e+02 2.479270671e+01 2.130689352e+02 2.957343013e+02 2.966286965e+02 -1.855106628e+00 1.389085193e+01 2.184526825e+02 -2.257017692e+00 1.062222862e+01 1.76 2.408611467e+02 1.657121089e+01 1.624773141e+02 2.516477111e+02 2.514709931e+02 -1.822917079e+00 8.086386588e+00 1.853459437e+02 -2.314972139e+00 7.214749993e+00 1.78 2.068777243e+02 1.014376325e+01 1.211770942e+02 2.138570168e+02 2.129847817e+02 -1.771932219e+00 4.239343143e+00 1.565126421e+02 -2.339871357e+00 4.498458683e+00 1.80 1.779151329e+02 5.490096720e+00 9.043791027e+01 1.812312177e+02 1.802597772e+02 -1.742951583e+00 1.840762411e+00 1.305469886e+02 -2.372081885e+00 2.388838234e+00 1.82 1.515472483e+02 2.345599400e+00 6.802565683e+01 1.528807724e+02 1.527164230e+02 -1.794142967e+00 3.076324502e-01 1.074280049e+02 -2.448205358e+00 7.988484049e-01 1.84 1.274916930e+02 3.856600435e-01 5.090814627e+01 1.273178176e+02 1.279913681e+02 -1.896683216e+00 -7.266845407e-01 8.686419795e+01 -2.556792171e+00 -3.034339462e-01 1.86 1.057506522e+02 -7.668153598e-01 3.778698765e+01 1.040563682e+02 1.051104930e+02 -2.027087978e+00 -1.422311611e+00 6.820438741e+01 -2.702759005e+00 -1.018403132e+00 1.88 8.603575689e+01 -1.419610796e+00 2.791041832e+01 8.306240041e+01 8.396336473e+01 -2.145038598e+00 -1.875701368e+00 5.148729978e+01 -2.857268489e+00 -1.463265426e+00 1.90 6.753022814e+01 -1.764456425e+00 2.037928337e+01 6.408956509e+01 6.450939600e+01 -2.234712592e+00 -2.157997741e+00 3.697421255e+01 -2.980687399e+00 -1.756598545e+00 1.92 5.090573546e+01 -1.959033367e+00 1.436141463e+01 4.770965124e+01 4.753418237e+01 -2.310988506e+00 -2.324329588e+00 2.506039711e+01 -3.064547200e+00 -1.950205357e+00 1.94 3.666252989e+01 -2.229297393e+00 9.406611694e+00 3.426744208e+01 3.367700863e+01 -2.385177582e+00 -2.420617813e+00 1.588227004e+01 -3.130048459e+00 -2.083561608e+00 1.96 2.504238503e+01 -2.617888847e+00 5.389517627e+00 2.351696753e+01 2.283121498e+01 -2.463178868e+00 -2.487319409e+00 9.162905788e+00 -3.192427110e+00 -2.186251968e+00 1.98 1.580001013e+01 -2.960405775e+00 2.267515469e+00 1.515413005e+01 1.464890917e+01 -2.540675101e+00 -2.598349835e+00 4.457742767e+00 -3.253507075e+00 -2.283465299e+00 2.00 8.847653847e+00 -3.212751055e+00 7.098655235e-02 8.929717047e+00 8.723165596e+00 -2.606258669e+00 -2.765488037e+00 1.377255491e+00 -3.308356800e+00 -2.433355422e+00 2.02 4.081363943e+00 -3.432617835e+00 -1.293915825e+00 4.489011187e+00 4.473431316e+00 -2.650691476e+00 -2.962571065e+00 -4.715633340e-01 -3.350373230e+00 -2.640802916e+00 2.04 1.098561055e+00 -3.622662717e+00 -2.031109584e+00 1.502030873e+00 1.551024371e+00 -2.680800909e+00 -3.156307877e+00 -1.501265501e+00 -3.380346925e+00 -2.874472196e+00 2.06 -6.049193575e-01 -3.776446825e+00 -2.377088203e+00 -3.590252535e-01 -3.225457659e-01 -2.708469145e+00 -3.308381217e+00 -2.043418264e+00 -3.404483185e+00 -3.081198049e+00 2.08 -1.528887961e+00 -3.899273880e+00 -2.537234034e+00 -1.434530138e+00 -1.434679233e+00 -2.742900721e+00 -3.429386379e+00 -2.341827495e+00 -3.427125014e+00 -3.233523555e+00 2.10 -2.046362654e+00 -3.999754169e+00 -2.683950038e+00 -2.029385482e+00 -2.054425013e+00 -2.785708856e+00 -3.542429404e+00 -2.531597958e+00 -3.447480777e+00 -3.353544617e+00 2.12 -2.342240923e+00 -4.082377069e+00 -2.953548292e+00 -2.347150011e+00 -2.380531290e+00 -2.831229544e+00 -3.643178756e+00 -2.698298517e+00 -3.461710586e+00 -3.457888274e+00 2.14 -2.532017457e+00 -4.150353480e+00 -3.260494776e+00 -2.533901779e+00 -2.563128817e+00 -2.871215767e+00 -3.721455653e+00 -2.921148138e+00 -3.468237308e+00 -3.552773581e+00 2.16 -2.688647043e+00 -4.206497670e+00 -3.491817846e+00 -2.690282345e+00 -2.711221735e+00 -2.906188638e+00 -3.777569426e+00 -3.186166976e+00 -3.466608305e+00 -3.630263138e+00 2.18 -2.883717699e+00 -4.250912197e+00 -3.653804881e+00 -2.900017933e+00 -2.917077919e+00 -2.939963823e+00 -3.820174321e+00 -3.452527949e+00 -3.456033038e+00 -3.685172989e+00 2.20 -3.113684587e+00 -4.281525852e+00 -3.786714477e+00 -3.149933872e+00 -3.164885296e+00 -2.974874171e+00 -3.854627044e+00 -3.666413609e+00 -3.438582927e+00 -3.720244378e+00 2.22 -3.368758103e+00 -4.295776471e+00 -3.899910409e+00 -3.409239637e+00 -3.416168213e+00 -3.007151913e+00 -3.883690829e+00 -3.827821602e+00 -3.416991810e+00 -3.743034938e+00 2.24 -3.609909108e+00 -4.292135754e+00 -3.991359552e+00 -3.629665777e+00 -3.622364074e+00 -3.033407469e+00 -3.908199250e+00 -3.966699060e+00 -3.394143702e+00 -3.758615831e+00 2.26 -3.793654931e+00 -4.275318090e+00 -4.059740940e+00 -3.794821285e+00 -3.777888325e+00 -3.051217116e+00 -3.926914886e+00 -4.073603159e+00 -3.371991903e+00 -3.770807369e+00 2.28 -3.945257759e+00 -4.251500455e+00 -4.110579183e+00 -3.933788495e+00 -3.912391339e+00 -3.059818433e+00 -3.938856931e+00 -4.137013127e+00 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