# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Mn-Ni # implementation = 2017--Choi-W-M--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 3.243025332e+02 nan nan nan nan 0.68 nan nan nan nan nan 3.036769179e+02 nan nan nan nan 0.70 nan nan nan nan nan 2.842858801e+02 nan nan 3.424525521e+02 nan 0.72 nan nan nan nan nan 2.660583142e+02 nan nan 3.182759247e+02 nan 0.74 nan nan nan nan nan 2.489270884e+02 nan nan 2.957264768e+02 nan 0.76 nan nan nan nan nan 2.328288277e+02 nan nan 2.746965976e+02 nan 0.78 nan 5.206752274e+02 nan nan nan 2.177037095e+02 4.046673672e+02 nan 2.550857822e+02 3.319379683e+02 0.80 nan 4.823834724e+02 nan nan nan 2.034952690e+02 3.763324500e+02 nan 2.368001600e+02 3.103024984e+02 0.82 nan 4.467637084e+02 nan nan nan 1.901502163e+02 3.498857433e+02 nan 2.197520541e+02 2.899864161e+02 0.84 nan 4.136346239e+02 5.148712990e+02 nan nan 1.776182618e+02 3.252040847e+02 nan 2.038595687e+02 2.709123670e+02 0.86 5.177121106e+02 3.828270431e+02 4.799892188e+02 5.177497610e+02 5.177874114e+02 1.658519524e+02 3.021722438e+02 4.894001992e+02 1.890462041e+02 2.530074028e+02 0.88 4.841456617e+02 3.541831127e+02 4.473395317e+02 4.841828913e+02 4.842201209e+02 1.548065153e+02 2.806824281e+02 4.568984465e+02 1.752404977e+02 2.362027368e+02 0.90 4.526246665e+02 3.275555444e+02 4.167843132e+02 4.526614778e+02 4.526982891e+02 1.444397111e+02 2.606338136e+02 4.264251670e+02 1.623756887e+02 2.204335114e+02 0.92 4.230294046e+02 3.028069091e+02 3.881939350e+02 4.230658001e+02 4.231021957e+02 1.347116938e+02 2.419321018e+02 3.978585934e+02 1.503894064e+02 2.056385792e+02 0.94 3.952469422e+02 2.798089793e+02 3.614465762e+02 3.952829244e+02 3.953189067e+02 1.255848794e+02 2.244891024e+02 3.710840580e+02 1.392233785e+02 1.917602953e+02 0.96 3.691707581e+02 2.584421156e+02 3.364277642e+02 3.692063295e+02 3.692419009e+02 1.170238208e+02 2.082223412e+02 3.459935880e+02 1.288231603e+02 1.787443220e+02 0.98 3.447003893e+02 2.385946945e+02 3.130299414e+02 3.447355523e+02 3.447707152e+02 1.089950897e+02 1.930546910e+02 3.224855232e+02 1.191378814e+02 1.665394431e+02 1.00 3.217410960e+02 2.201625756e+02 2.911520565e+02 3.217758531e+02 3.218106101e+02 1.014671649e+02 1.789140270e+02 3.004641561e+02 1.101200102e+02 1.550973893e+02 1.02 3.002035450e+02 2.030486036e+02 2.706991806e+02 3.002378985e+02 3.002722520e+02 9.441032657e+01 1.657329022e+02 2.798393908e+02 1.017251336e+02 1.443726725e+02 1.04 2.800035092e+02 1.871621443e+02 2.515821446e+02 2.800374615e+02 2.800714139e+02 8.779655627e+01 1.534482454e+02 2.605264225e+02 9.391175236e+01 1.343224299e+02 1.06 2.610615845e+02 1.724186509e+02 2.337171981e+02 2.610951382e+02 2.611286918e+02 8.159944239e+01 1.420010772e+02 2.424454338e+02 8.664108937e+01 1.249062762e+02 1.08 2.433029214e+02 1.587392604e+02 2.170256875e+02 2.433360788e+02 2.433692361e+02 7.579409065e+01 1.313362446e+02 2.255213092e+02 7.987691131e+01 1.160861639e+02 1.10 2.266569713e+02 1.460504156e+02 2.014337540e+02 2.266897347e+02 2.267224981e+02 7.035703958e+01 1.214021738e+02 2.096833648e+02 7.358536204e+01 1.078262517e+02 1.12 2.110572463e+02 1.342835131e+02 1.868720478e+02 2.110896181e+02 2.111219899e+02 6.526618044e+01 1.121506379e+02 1.948650935e+02 6.773480695e+01 1.000927799e+02 1.14 1.964410926e+02 1.233745746e+02 1.732754598e+02 1.964730751e+02 1.965050577e+02 6.050068161e+01 1.035365403e+02 1.810039248e+02 6.229568789e+01 9.285395277e+01 1.16 1.827494758e+02 1.132639391e+02 1.605828686e+02 1.827810715e+02 1.828126672e+02 5.604091706e+01 9.551771227e+01 1.680409980e+02 5.724038742e+01 8.607982714e+01 1.18 1.699267781e+02 1.038959773e+02 1.487369027e+02 1.699579893e+02 1.699892004e+02 5.186839875e+01 8.805472337e+01 1.559209477e+02 5.254310230e+01 7.974220775e+01 1.20 1.579206066e+02 9.521882262e+01 1.376837159e+02 1.579514355e+02 1.579822645e+02 4.796571262e+01 8.111070467e+01 1.445917026e+02 4.817972506e+01 7.381454782e+01 1.22 1.466816117e+02 8.718412219e+01 1.273727765e+02 1.467120608e+02 1.467425098e+02 4.431645826e+01 7.465118316e+01 1.340042943e+02 4.412773354e+01 6.827185551e+01 1.24 1.361633162e+02 7.974680267e+01 1.177566681e+02 1.361933876e+02 1.362234590e+02 4.090519171e+01 6.864392706e+01 1.241126778e+02 4.036608756e+01 6.309060533e+01 1.26 1.263219526e+02 7.286485238e+01 1.087909033e+02 1.263516486e+02 1.263813447e+02 3.771737148e+01 6.305880115e+01 1.148735624e+02 3.687513244e+01 5.824865468e+01 1.28 1.171163107e+02 6.649911756e+01 1.004337469e+02 1.171456337e+02 1.171749567e+02 3.473930757e+01 5.786763153e+01 1.062462507e+02 3.363650873e+01 5.372516487e+01 1.30 1.085075927e+02 6.061311203e+01 9.264605066e+01 1.085365449e+02 1.085654971e+02 3.195811315e+01 5.304407912e+01 9.819248871e+01 3.063306792e+01 4.950052662e+01 1.32 1.004592762e+02 5.517283951e+01 8.539109689e+01 1.004878599e+02 1.005164436e+02 2.936165912e+01 4.856352133e+01 9.067632319e+01 2.784879360e+01 4.555628976e+01 1.34 9.293698538e+01 5.014662753e+01 7.863445195e+01 9.296520276e+01 9.299342015e+01 2.693853093e+01 4.440294143e+01 8.366396730e+01 2.526872774e+01 4.187509671e+01 1.36 8.590836867e+01 4.550497237e+01 7.234382809e+01 8.593622199e+01 8.596407530e+01 2.467798802e+01 4.054082506e+01 7.712367420e+01 2.287890179e+01 3.844061986e+01 1.38 7.934298358e+01 4.122039416e+01 6.648895331e+01 7.937047504e+01 7.939796651e+01 2.256992528e+01 3.695706336e+01 7.102561765e+01 2.066627225e+01 3.523750227e+01 1.40 7.321218774e+01 3.726730155e+01 6.104144926e+01 7.323931956e+01 7.326645138e+01 2.060483684e+01 3.363286247e+01 6.534177944e+01 1.861866039e+01 3.225130188e+01 1.42 6.748903597e+01 3.362186531e+01 5.597471609e+01 6.751581035e+01 6.754258473e+01 1.877378175e+01 3.055065866e+01 6.004584325e+01 1.672469593e+01 2.946843868e+01 1.44 6.214818315e+01 3.026190022e+01 5.126382424e+01 6.217460227e+01 6.220102139e+01 1.706835159e+01 2.769403912e+01 5.511309469e+01 1.497376432e+01 2.687614498e+01 1.46 5.716579238e+01 2.716675474e+01 4.688541266e+01 5.719185842e+01 5.721792445e+01 1.548063989e+01 2.504766776e+01 5.052032685e+01 1.335595748e+01 2.446241838e+01 1.48 5.251944835e+01 2.431720804e+01 4.281759306e+01 5.254516347e+01 5.257087859e+01 1.400321328e+01 2.259721568e+01 4.624575145e+01 1.186202766e+01 2.221597745e+01 1.50 4.818807551e+01 2.169537367e+01 3.903985987e+01 4.821344186e+01 4.823880821e+01 1.262908419e+01 2.032929633e+01 4.226891501e+01 1.048334437e+01 2.012621989e+01 1.52 4.415186074e+01 1.928460974e+01 3.553300552e+01 4.417688047e+01 4.420190020e+01 1.135168514e+01 1.823140455e+01 3.857061985e+01 9.211854058e+00 1.818318302e+01 1.54 4.039218051e+01 1.706943489e+01 3.227904086e+01 4.041685575e+01 4.044153099e+01 1.016484441e+01 1.629185977e+01 3.513284963e+01 8.040042346e+00 1.637750660e+01 1.56 3.689153189e+01 1.503544997e+01 2.926112027e+01 3.691586476e+01 3.694019763e+01 9.062763106e+00 1.449975269e+01 3.193869918e+01 6.960898797e+00 1.470039760e+01 1.58 3.363346770e+01 1.316926472e+01 2.646347131e+01 3.365746031e+01 3.368145292e+01 8.039993544e+00 1.284489544e+01 2.897230842e+01 5.967883907e+00 1.314359714e+01 1.60 3.060253503e+01 1.145842943e+01 2.387132848e+01 3.062618949e+01 3.064984394e+01 7.091418760e+00 1.131777490e+01 2.621880001e+01 5.054898233e+00 1.169934915e+01 1.62 2.778421747e+01 9.891371062e+00 2.147087112e+01 2.780753585e+01 2.783085423e+01 6.212233275e+00 9.909509055e+00 2.366422071e+01 4.216253541e+00 1.036037094e+01 1.64 2.516488037e+01 8.457333654e+00 1.924916486e+01 2.518786476e+01 2.521084916e+01 5.397924871e+00 8.611806084e+00 2.129548606e+01 3.446645790e+00 9.119825353e+00 1.66 2.273171942e+01 7.146322618e+00 1.719410678e+01 2.275437189e+01 2.277702436e+01 4.644257439e+00 7.416926127e+00 1.910032830e+01 2.741129896e+00 7.971294568e+00 1.68 2.047271194e+01 5.949052777e+00 1.529437369e+01 2.049503455e+01 2.051735715e+01 3.947254782e+00 6.317645455e+00 1.706724733e+01 2.095096099e+00 6.908755348e+00 1.70 1.837657102e+01 4.856899849e+00 1.353937367e+01 1.839856582e+01 1.842056061e+01 3.303185333e+00 5.307222955e+00 1.518546451e+01 1.504247881e+00 5.926555736e+00 1.72 1.643270231e+01 3.861855155e+00 1.191920052e+01 1.645437133e+01 1.647604035e+01 2.708547755e+00 4.379368760e+00 1.344487913e+01 9.645813106e-01 5.019393083e+00 1.74 1.463116316e+01 2.956483350e+00 1.042459088e+01 1.465250842e+01 1.467385369e+01 2.160057343e+00 3.528214876e+00 1.183602749e+01 4.723657097e-01 4.182293316e+00 1.76 1.296262414e+01 2.133882971e+00 9.046884073e+00 1.298364768e+01 1.300467122e+01 1.654633221e+00 2.748287707e+00 1.035004430e+01 2.412560312e-02 3.410591430e+00 1.78 1.141833281e+01 1.387649623e+00 7.777984278e+00 1.143903662e+01 1.145974043e+01 1.189386244e+00 2.034482325e+00 8.978626351e+00 -3.833761933e-01 2.699913056e+00 1.80 9.990079436e+00 7.118416336e-01 6.610325098e+00 1.001046552e+01 1.003085161e+01 7.616076251e-01 1.382038407e+00 7.713998402e+00 -7.531543558e-01 2.046157147e+00 1.82 8.670164790e+00 1.009479974e-01 5.536836213e+00 8.690235136e+00 8.710305482e+00 3.687581803e-01 7.865176912e-01 6.548880951e+00 -1.088015839e+00 1.445479604e+00 1.84 7.451369735e+00 -4.501415127e-01 4.550912120e+00 7.471126318e+00 7.490882902e+00 8.458219553e-03 2.437829082e-01 5.476459987e+00 -1.390573677e+00 8.942779064e-01 1.86 6.326926554e+00 -9.461642397e-01 3.646382748e+00 6.346371342e+00 6.365816131e+00 -3.215220030e-01 -2.500219616e-01 4.490358488e+00 -1.663259904e+00 3.891765821e-01 1.88 5.290491969e+00 -1.391510645e+00 2.817485899e+00 5.309626920e+00 5.328761871e+00 -6.232712718e-01 -6.984901429e-01 3.584609632e+00 -1.908337622e+00 -7.298644356e-02 1.90 4.336121678e+00 -1.790248565e+00 2.058841367e+00 4.354948740e+00 4.373775801e+00 -8.987458847e-01 -1.104969346e+00 2.753631564e+00 -2.127912289e+00 -4.951727260e-01 1.92 3.458246385e+00 -2.146145826e+00 1.365426642e+00 3.476767494e+00 3.495288603e+00 -1.149777634e+00 -1.472577932e+00 1.992203676e+00 -2.323942267e+00 -8.801554227e-01 1.94 2.651649215e+00 -2.462691327e+00 7.325541297e-01 2.669866300e+00 2.688083385e+00 -1.378081320e+00 -1.804220028e+00 1.295444297e+00 -2.498248682e+00 -1.230530705e+00 1.96 1.911444424e+00 -2.743114692e+00 1.558497496e-01 1.929359404e+00 1.947274383e+00 -1.585261841e+00 -2.102599693e+00 6.587897071e-01 -2.652524644e+00 -1.548728515e+00 1.98 1.233057380e+00 -2.990404591e+00 -3.687671172e-01 1.250672162e+00 1.268286944e+00 -1.772820853e+00 -2.370234137e+00 7.797439960e-02 -2.788343851e+00 -1.837022672e+00 2.00 6.122056626e-01 -3.207325806e+00 -8.451024689e-01 6.295221467e-01 6.468386308e-01 -1.942163061e+00 -2.609466118e+00 -4.509874715e-01 -2.907168648e+00 -2.097540417e+00 2.02 4.488131983e-02 -3.396435139e+00 -1.276705324e+00 6.190139539e-02 7.892147095e-02 -2.094602123e+00 -2.822475513e+00 -9.318195284e-01 -3.010357537e+00 -2.332271360e+00 2.04 -4.726658906e-01 -3.560096227e+00 -1.666884300e+00 -4.559403436e-01 -4.392147966e-01 -2.231366225e+00 -3.011290165e+00 -1.367999579e+00 -3.099172222e+00 -2.543075935e+00 2.06 -9.439442316e-01 -3.700493347e+00 -2.018723125e+00 -9.275113427e-01 -9.110784539e-01 -2.353606453e+00 -3.177795999e+00 -1.762775018e+00 -3.174784192e+00 -2.731693332e+00 2.08 -1.372234830e+00 -3.819644268e+00 -2.335095218e+00 -1.356092739e+00 -1.339950647e+00 -2.462417211e+00 -3.323746511e+00 -2.119177311e+00 -3.238280692e+00 -2.899748974e+00 2.10 -1.760605622e+00 -3.919412222e+00 -2.618677326e+00 -1.744752476e+00 -1.728899329e+00 -2.558762137e+00 -3.450771621e+00 -2.440035608e+00 -3.290670993e+00 -3.048761548e+00 2.12 -2.111924486e+00 -4.001517043e+00 -2.871962336e+00 -2.096358443e+00 -2.080792400e+00 -2.643578163e+00 -3.560385960e+00 -2.727989526e+00 -3.332891026e+00 -3.180149613e+00 2.14 -2.428871603e+00 -4.067545546e+00 -3.097271259e+00 -2.413590830e+00 -2.398310057e+00 -2.717750847e+00 -3.653996615e+00 -2.985501155e+00 -3.365807729e+00 -3.295237825e+00 2.16 -2.713951072e+00 -4.118961175e+00 -3.296764477e+00 -2.698953746e+00 -2.683956419e+00 -2.782095397e+00 -3.732910372e+00 -3.214866344e+00 -3.390226199e+00 -3.395262785e+00 2.18 -2.969501858e+00 -4.157112992e+00 -3.472452282e+00 -2.954786163e+00 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