# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr # implementation = 2017--Wu-C--Ni-Cr--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 3.243025339e+02 nan nan nan nan 0.68 nan nan nan nan nan 3.036769186e+02 nan nan nan nan 0.70 nan nan nan nan nan 2.842858807e+02 nan nan 3.424525528e+02 nan 0.72 nan nan nan nan nan 2.660583148e+02 nan nan 3.182759254e+02 nan 0.74 nan nan nan nan nan 2.489270889e+02 nan nan 2.957264774e+02 nan 0.76 nan nan nan nan nan 2.328288282e+02 nan nan 2.746965982e+02 nan 0.78 nan 5.206752284e+02 nan nan nan 2.177037099e+02 4.046673680e+02 nan 2.550857827e+02 3.319379690e+02 0.80 nan 4.823834733e+02 nan nan nan 2.034952695e+02 3.763324507e+02 nan 2.368001604e+02 3.103024990e+02 0.82 nan 4.467637092e+02 nan nan nan 1.901502166e+02 3.498857440e+02 nan 2.197520545e+02 2.899864167e+02 0.84 nan 4.136346247e+02 5.148713000e+02 nan nan 1.776182621e+02 3.252040853e+02 nan 2.038595691e+02 2.709123675e+02 0.86 5.177121116e+02 3.828270438e+02 4.799892197e+02 5.177497620e+02 5.177874124e+02 1.658519527e+02 3.021722444e+02 4.894002001e+02 1.890462045e+02 2.530074033e+02 0.88 4.841456626e+02 3.541831133e+02 4.473395325e+02 4.841828923e+02 4.842201219e+02 1.548065156e+02 2.806824287e+02 4.568984474e+02 1.752404980e+02 2.362027372e+02 0.90 4.526246673e+02 3.275555449e+02 4.167843140e+02 4.526614787e+02 4.526982900e+02 1.444397113e+02 2.606338141e+02 4.264251678e+02 1.623756890e+02 2.204335118e+02 0.92 4.230294054e+02 3.028069097e+02 3.881939357e+02 4.230658009e+02 4.231021965e+02 1.347116941e+02 2.419321022e+02 3.978585941e+02 1.503894067e+02 2.056385796e+02 0.94 3.952469429e+02 2.798089798e+02 3.614465768e+02 3.952829252e+02 3.953189074e+02 1.255848797e+02 2.244891028e+02 3.710840587e+02 1.392233788e+02 1.917602957e+02 0.96 3.691707588e+02 2.584421160e+02 3.364277649e+02 3.692063302e+02 3.692419016e+02 1.170238210e+02 2.082223416e+02 3.459935886e+02 1.288231606e+02 1.787443224e+02 0.98 3.447003899e+02 2.385946949e+02 3.130299419e+02 3.447355529e+02 3.447707159e+02 1.089950899e+02 1.930546914e+02 3.224855238e+02 1.191378817e+02 1.665394434e+02 1.00 3.217410966e+02 2.201625760e+02 2.911520570e+02 3.217758536e+02 3.218106107e+02 1.014671651e+02 1.789140273e+02 3.004641566e+02 1.101200104e+02 1.550973896e+02 1.02 3.002035455e+02 2.030486040e+02 2.706991811e+02 3.002378990e+02 3.002722525e+02 9.441032675e+01 1.657329025e+02 2.798393913e+02 1.017251338e+02 1.443726728e+02 1.04 2.800035097e+02 1.871621446e+02 2.515821451e+02 2.800374620e+02 2.800714144e+02 8.779655643e+01 1.534482457e+02 2.605264229e+02 9.391175254e+01 1.343224302e+02 1.06 2.610615850e+02 1.724186512e+02 2.337171985e+02 2.610951386e+02 2.611286923e+02 8.159944254e+01 1.420010774e+02 2.424454342e+02 8.664108953e+01 1.249062764e+02 1.08 2.433029219e+02 1.587392607e+02 2.170256879e+02 2.433360792e+02 2.433692365e+02 7.579409079e+01 1.313362448e+02 2.255213096e+02 7.987691146e+01 1.160861641e+02 1.10 2.266569717e+02 1.460504158e+02 2.014337544e+02 2.266897351e+02 2.267224985e+02 7.035703972e+01 1.214021740e+02 2.096833651e+02 7.358536217e+01 1.078262519e+02 1.12 2.110572466e+02 1.342835134e+02 1.868720481e+02 2.110896184e+02 2.111219902e+02 6.526618056e+01 1.121506381e+02 1.948650938e+02 6.773480707e+01 1.000927801e+02 1.14 1.964410929e+02 1.233745748e+02 1.732754601e+02 1.964730755e+02 1.965050581e+02 6.050068172e+01 1.035365405e+02 1.810039251e+02 6.229568800e+01 9.285395294e+01 1.16 1.827494761e+02 1.132639393e+02 1.605828689e+02 1.827810718e+02 1.828126675e+02 5.604091717e+01 9.551771244e+01 1.680409982e+02 5.724038752e+01 8.607982730e+01 1.18 1.699267784e+02 1.038959774e+02 1.487369030e+02 1.699579896e+02 1.699892007e+02 5.186839884e+01 8.805472353e+01 1.559209480e+02 5.254310240e+01 7.974220789e+01 1.20 1.579206069e+02 9.521882277e+01 1.376837162e+02 1.579514358e+02 1.579822647e+02 4.796571271e+01 8.111070481e+01 1.445917028e+02 4.817972515e+01 7.381454796e+01 1.22 1.466816120e+02 8.718412232e+01 1.273727767e+02 1.467120610e+02 1.467425100e+02 4.431645834e+01 7.465118329e+01 1.340042945e+02 4.412773362e+01 6.827185563e+01 1.24 1.361633164e+02 7.974680279e+01 1.177566683e+02 1.361933878e+02 1.362234592e+02 4.090519178e+01 6.864392717e+01 1.241126781e+02 4.036608764e+01 6.309060545e+01 1.26 1.263219528e+02 7.286485249e+01 1.087909035e+02 1.263516488e+02 1.263813449e+02 3.771737155e+01 6.305880125e+01 1.148735625e+02 3.687513251e+01 5.824865478e+01 1.28 1.171163109e+02 6.649911766e+01 1.004337471e+02 1.171456339e+02 1.171749569e+02 3.473930763e+01 5.786763163e+01 1.062462508e+02 3.363650879e+01 5.372516497e+01 1.30 1.085075929e+02 6.061311212e+01 9.264605080e+01 1.085365451e+02 1.085654973e+02 3.195811321e+01 5.304407921e+01 9.819248886e+01 3.063306798e+01 4.950052671e+01 1.32 1.004592764e+02 5.517283960e+01 8.539109702e+01 1.004878601e+02 1.005164437e+02 2.936165917e+01 4.856352141e+01 9.067632334e+01 2.784879366e+01 4.555628985e+01 1.34 9.293698553e+01 5.014662761e+01 7.863445208e+01 9.296520291e+01 9.299342029e+01 2.693853098e+01 4.440294150e+01 8.366396743e+01 2.526872779e+01 4.187509679e+01 1.36 8.590836881e+01 4.550497244e+01 7.234382820e+01 8.593622212e+01 8.596407544e+01 2.467798806e+01 4.054082512e+01 7.712367433e+01 2.287890183e+01 3.844061993e+01 1.38 7.934298370e+01 4.122039422e+01 6.648895341e+01 7.937047517e+01 7.939796663e+01 2.256992532e+01 3.695706343e+01 7.102561776e+01 2.066627228e+01 3.523750233e+01 1.40 7.321218785e+01 3.726730160e+01 6.104144936e+01 7.323931968e+01 7.326645150e+01 2.060483688e+01 3.363286252e+01 6.534177954e+01 1.861866042e+01 3.225130194e+01 1.42 6.748903607e+01 3.362186536e+01 5.597471617e+01 6.751581045e+01 6.754258483e+01 1.877378178e+01 3.055065871e+01 6.004584335e+01 1.672469596e+01 2.946843873e+01 1.44 6.214818324e+01 3.026190026e+01 5.126382431e+01 6.217460236e+01 6.220102148e+01 1.706835162e+01 2.769403917e+01 5.511309478e+01 1.497376435e+01 2.687614503e+01 1.46 5.716579247e+01 2.716675478e+01 4.688541273e+01 5.719185850e+01 5.721792454e+01 1.548063992e+01 2.504766780e+01 5.052032693e+01 1.335595750e+01 2.446241842e+01 1.48 5.251944843e+01 2.431720808e+01 4.281759313e+01 5.254516355e+01 5.257087867e+01 1.400321330e+01 2.259721572e+01 4.624575152e+01 1.186202768e+01 2.221597749e+01 1.50 4.818807558e+01 2.169537370e+01 3.903985993e+01 4.821344194e+01 4.823880829e+01 1.262908422e+01 2.032929636e+01 4.226891507e+01 1.048334440e+01 2.012621992e+01 1.52 4.415186081e+01 1.928460976e+01 3.553300557e+01 4.417688054e+01 4.420190027e+01 1.135168516e+01 1.823140458e+01 3.857061991e+01 9.211854078e+00 1.818318306e+01 1.54 4.039218057e+01 1.706943492e+01 3.227904091e+01 4.041685581e+01 4.044153105e+01 1.016484443e+01 1.629185980e+01 3.513284968e+01 8.040042364e+00 1.637750663e+01 1.56 3.689153195e+01 1.503545000e+01 2.926112031e+01 3.691586482e+01 3.694019769e+01 9.062763125e+00 1.449975272e+01 3.193869922e+01 6.960898813e+00 1.470039763e+01 1.58 3.363346775e+01 1.316926474e+01 2.646347135e+01 3.365746036e+01 3.368145297e+01 8.039993561e+00 1.284489547e+01 2.897230846e+01 5.967883921e+00 1.314359716e+01 1.60 3.060253508e+01 1.145842944e+01 2.387132851e+01 3.062618953e+01 3.064984398e+01 7.091418776e+00 1.131777492e+01 2.621880005e+01 5.054898246e+00 1.169934917e+01 1.62 2.778421751e+01 9.891371078e+00 2.147087115e+01 2.780753589e+01 2.783085427e+01 6.212233289e+00 9.909509075e+00 2.366422075e+01 4.216253552e+00 1.036037096e+01 1.64 2.516488041e+01 8.457333668e+00 1.924916489e+01 2.518786480e+01 2.521084919e+01 5.397924883e+00 8.611806101e+00 2.129548610e+01 3.446645801e+00 9.119825372e+00 1.66 2.273171946e+01 7.146322631e+00 1.719410680e+01 2.275437193e+01 2.277702440e+01 4.644257451e+00 7.416926142e+00 1.910032833e+01 2.741129905e+00 7.971294586e+00 1.68 2.047271197e+01 5.949052788e+00 1.529437371e+01 2.049503458e+01 2.051735718e+01 3.947254792e+00 6.317645469e+00 1.706724736e+01 2.095096107e+00 6.908755364e+00 1.70 1.837657105e+01 4.856899859e+00 1.353937369e+01 1.839856584e+01 1.842056064e+01 3.303185342e+00 5.307222968e+00 1.518546453e+01 1.504247889e+00 5.926555750e+00 1.72 1.643270234e+01 3.861855164e+00 1.191920054e+01 1.645437136e+01 1.647604037e+01 2.708547764e+00 4.379368772e+00 1.344487916e+01 9.645813176e-01 5.019393096e+00 1.74 1.463116318e+01 2.956483357e+00 1.042459090e+01 1.465250845e+01 1.467385371e+01 2.160057351e+00 3.528214886e+00 1.183602751e+01 4.723657159e-01 4.182293328e+00 1.76 1.296262417e+01 2.133882977e+00 9.046884089e+00 1.298364770e+01 1.300467124e+01 1.654633228e+00 2.748287716e+00 1.035004431e+01 2.412560868e-02 3.410591441e+00 1.78 1.141833283e+01 1.387649628e+00 7.777984291e+00 1.143903664e+01 1.145974045e+01 1.189386250e+00 2.034482333e+00 8.978626367e+00 -3.833761883e-01 2.699913066e+00 1.80 9.990079453e+00 7.118416386e-01 6.610325110e+00 1.001046554e+01 1.003085162e+01 7.616076307e-01 1.382038414e+00 7.713998416e+00 -7.531543513e-01 2.046157155e+00 1.82 8.670164805e+00 1.009480018e-01 5.536836224e+00 8.690235151e+00 8.710305497e+00 3.687581853e-01 7.865176976e-01 6.548880963e+00 -1.088015835e+00 1.445479612e+00 1.84 7.451369748e+00 -4.501415090e-01 4.550912130e+00 7.471126332e+00 7.490882915e+00 8.458224043e-03 2.437829139e-01 5.476459998e+00 -1.390573674e+00 8.942779131e-01 1.86 6.326926566e+00 -9.461642365e-01 3.646382757e+00 6.346371354e+00 6.365816143e+00 -3.215219990e-01 -2.500219565e-01 4.490358498e+00 -1.663259901e+00 3.891765881e-01 1.88 5.290491979e+00 -1.391510642e+00 2.817485907e+00 5.309626931e+00 5.328761882e+00 -6.232712682e-01 -6.984901383e-01 3.584609641e+00 -1.908337619e+00 -7.298643819e-02 1.90 4.336121688e+00 -1.790248562e+00 2.058841373e+00 4.354948749e+00 4.373775810e+00 -8.987458816e-01 -1.104969342e+00 2.753631572e+00 -2.127912286e+00 -4.951727212e-01 1.92 3.458246394e+00 -2.146145824e+00 1.365426648e+00 3.476767503e+00 3.495288612e+00 -1.149777631e+00 -1.472577928e+00 1.992203682e+00 -2.323942265e+00 -8.801554185e-01 1.94 2.651649223e+00 -2.462691325e+00 7.325541350e-01 2.669866308e+00 2.688083393e+00 -1.378081317e+00 -1.804220025e+00 1.295444303e+00 -2.498248680e+00 -1.230530701e+00 1.96 1.911444431e+00 -2.743114691e+00 1.558497542e-01 1.929359410e+00 1.947274389e+00 -1.585261838e+00 -2.102599690e+00 6.587897124e-01 -2.652524642e+00 -1.548728511e+00 1.98 1.233057386e+00 -2.990404590e+00 -3.687671131e-01 1.250672168e+00 1.268286950e+00 -1.772820851e+00 -2.370234135e+00 7.797440416e-02 -2.788343850e+00 -1.837022670e+00 2.00 6.122056677e-01 -3.207325805e+00 -8.451024653e-01 6.295221519e-01 6.468386360e-01 -1.942163060e+00 -2.609466115e+00 -4.509874675e-01 -2.907168646e+00 -2.097540415e+00 2.02 4.488132434e-02 -3.396435138e+00 -1.276705321e+00 6.190139990e-02 7.892147546e-02 -2.094602121e+00 -2.822475512e+00 -9.318195250e-01 -3.010357536e+00 -2.332271357e+00 2.04 -4.726658866e-01 -3.560096226e+00 -1.666884297e+00 -4.559403397e-01 -4.392147927e-01 -2.231366224e+00 -3.011290163e+00 -1.367999576e+00 -3.099172221e+00 -2.543075933e+00 2.06 -9.439442281e-01 -3.700493346e+00 -2.018723123e+00 -9.275113393e-01 -9.110784504e-01 -2.353606452e+00 -3.177795998e+00 -1.762775015e+00 -3.174784192e+00 -2.731693330e+00 2.08 -1.372234827e+00 -3.819644268e+00 -2.335095216e+00 -1.356092736e+00 -1.339950644e+00 -2.462417210e+00 -3.323746510e+00 -2.119177309e+00 -3.238280691e+00 -2.899748973e+00 2.10 -1.760605619e+00 -3.919412221e+00 -2.618677325e+00 -1.744752473e+00 -1.728899327e+00 -2.558762137e+00 -3.450771620e+00 -2.440035606e+00 -3.290670993e+00 -3.048761547e+00 2.12 -2.111924484e+00 -4.001517042e+00 -2.871962334e+00 -2.096358441e+00 -2.080792397e+00 -2.643578162e+00 -3.560385959e+00 -2.727989524e+00 -3.332891026e+00 -3.180149612e+00 2.14 -2.428871601e+00 -4.067545545e+00 -3.097271257e+00 -2.413590828e+00 -2.398310055e+00 -2.717750847e+00 -3.653996615e+00 -2.985501154e+00 -3.365807728e+00 -3.295237824e+00 2.16 -2.713951071e+00 -4.118961175e+00 -3.296764476e+00 -2.698953744e+00 -2.683956418e+00 -2.782095397e+00 -3.732910372e+00 -3.214866343e+00 -3.390226199e+00 -3.395262784e+00 2.18 -2.969501856e+00 -4.157112992e+00 -3.472452281e+00 -2.954786162e+00 -2.940070467e+00 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