# 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 = Co # 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 4.128449392e+05 nan 0.82 nan nan nan nan nan nan nan nan 3.068253524e+05 nan 0.84 nan nan nan nan nan nan nan nan 2.296516024e+05 nan 0.86 nan nan nan nan nan nan nan nan 1.730505274e+05 nan 0.88 nan nan nan nan nan 1.597793511e+05 nan nan 1.312389378e+05 nan 0.90 nan nan nan nan nan 1.219364309e+05 nan nan 1.001402946e+05 nan 0.92 nan nan nan nan nan 9.360278248e+04 nan nan 7.685808486e+04 nan 0.94 nan nan nan nan nan 7.225581572e+04 nan nan 5.931852512e+04 nan 0.96 nan nan nan nan nan 5.607621818e+04 nan nan 4.602602819e+04 nan 0.98 nan nan nan nan nan 4.374271920e+04 nan nan 3.589446242e+04 nan 1.00 nan 3.053140786e+04 nan 1.030549572e+05 1.030566988e+05 3.428932613e+04 nan nan 2.812977380e+04 5.262077473e+04 1.02 nan 2.402804066e+04 nan 8.116867103e+04 8.117004096e+04 2.700526143e+04 3.576873128e+04 nan 2.214771827e+04 4.143915413e+04 1.04 nan 1.899359755e+04 nan 6.421880876e+04 6.421989125e+04 2.136431453e+04 2.828960809e+04 nan 1.751578025e+04 3.278021902e+04 1.06 nan 1.507751271e+04 nan 5.102814907e+04 5.102900826e+04 1.697461425e+04 2.247027905e+04 nan 1.391187892e+04 2.604228361e+04 1.08 nan 1.201726847e+04 nan 4.071502028e+04 4.071570513e+04 1.354267433e+04 1.792133322e+04 nan 1.109480936e+04 2.077473010e+04 1.10 nan 9.615211322e+03 nan 3.261549363e+04 3.261604174e+04 1.084749265e+04 1.434954866e+04 nan 8.882948761e+03 1.663823827e+04 1.12 2.622653837e+04 7.721743926e+03 1.965902428e+04 2.622697933e+04 2.622741946e+04 8.721775893e+03 1.153297295e+04 2.085964641e+04 7.138820838e+03 1.337595295e+04 1.14 2.116673897e+04 6.223069787e+03 1.586223818e+04 2.116709448e+04 2.116744876e+04 7.038246179e+03 9.302751369e+03 1.683137806e+04 5.757839453e+03 1.079245982e+04 1.16 1.714320856e+04 5.032205688e+03 1.284344631e+04 1.714349495e+04 1.714378070e+04 5.699595903e+03 7.529798592e+03 1.362849672e+04 4.660052700e+03 8.738363503e+03 1.18 1.393139220e+04 4.082352104e+03 1.043401551e+04 1.393162263e+04 1.393185356e+04 4.631081325e+03 6.114969494e+03 1.107210133e+04 3.784053205e+03 7.098913010e+03 1.20 1.135801995e+04 3.321978465e+03 8.503831308e+03 1.135820572e+04 1.135839310e+04 3.775030277e+03 4.981769486e+03 9.024154831e+03 3.082463057e+03 5.785568810e+03 1.22 9.288808526e+03 2.711158956e+03 6.952061542e+03 9.288959434e+03 9.289112366e+03 3.086748769e+03 4.070921233e+03 7.377684483e+03 2.518568983e+03 4.729717986e+03 1.24 7.619249412e+03 2.218829737e+03 5.700236008e+03 7.619373649e+03 7.619499185e+03 2.531453953e+03 3.336296126e+03 6.049441029e+03 2.063801777e+03 3.877964704e+03 1.26 6.267675541e+03 1.820723189e+03 4.687038440e+03 6.267779273e+03 6.267882859e+03 2.081965468e+03 2.741851628e+03 4.974373139e+03 1.695839016e+03 3.188584732e+03 1.28 5.170017021e+03 1.497807407e+03 3.864367360e+03 5.170104301e+03 5.170190167e+03 1.716960265e+03 2.259314885e+03 4.101448653e+03 1.397170465e+03 2.628846323e+03 1.30 4.275816442e+03 1.235099258e+03 3.194342814e+03 4.275889878e+03 4.275961141e+03 1.419646029e+03 1.866423568e+03 3.390480259e+03 1.154008554e+03 2.172974703e+03 1.32 3.545189452e+03 1.020760359e+03 2.647025091e+03 3.545250658e+03 3.545309603e+03 1.176749663e+03 1.545583579e+03 2.809703793e+03 9.554570469e+02 1.800597735e+03 1.34 2.946496988e+03 8.454040146e+02 2.198665998e+03 2.946546706e+03 2.946595143e+03 9.777425647e+02 1.282841055e+03 2.333922972e+03 7.928741235e+02 1.495555223e+03 1.36 2.454552932e+03 7.015615198e+02 1.830362389e+03 2.454592145e+03 2.454631616e+03 8.142439005e+02 1.067090495e+03 1.943082173e+03 6.593821444e+02 1.244983979e+03 1.38 2.049241376e+03 5.832706506e+02 1.527017694e+03 2.049271698e+03 2.049303635e+03 6.795598266e+02 8.894633872e+02 1.621164610e+03 5.494893128e+02 1.038610917e+03 1.40 1.714443731e+03 4.857560716e+02 1.276536612e+03 1.714467028e+03 1.714492710e+03 5.683266371e+02 7.428544885e+02 1.355337507e+03 4.587961881e+02 8.682052032e+02 1.42 1.437203292e+03 4.051815786e+02 1.069197416e+03 1.437221602e+03 1.437242302e+03 4.762331374e+02 6.215534429e+02 1.135286758e+03 3.837673863e+02 7.271520559e+02 1.44 1.207073477e+03 3.384566393e+02 8.971621223e+02 1.207088738e+03 1.207105739e+03 3.998035518e+02 5.209573563e+02 9.526970536e+02 3.215533064e+02 6.101189715e+02 1.46 1.015606976e+03 2.830837714e+02 7.540933656e+02 1.015620653e+03 1.015635033e+03 3.362274860e+02 4.373450109e+02 8.008451080e+02 2.698503468e+02 5.127945072e+02 1.48 8.559531168e+02 2.370388677e+02 6.348525944e+02 8.559661412e+02 8.559786940e+02 2.832260923e+02 3.676995050e+02 6.742791895e+02 2.267910311e+02 4.316823677e+02 1.50 7.225406926e+02 1.986772374e+02 5.352620169e+02 7.225534626e+02 7.225646989e+02 2.389465863e+02 3.095681138e+02 5.685663069e+02 1.908571273e+02 3.639395623e+02 1.52 6.108269095e+02 1.666587586e+02 4.519153693e+02 6.108392689e+02 6.108494651e+02 2.018782870e+02 2.609514744e+02 4.800922068e+02 1.608110557e+02 3.072481151e+02 1.54 5.170976451e+02 1.398884542e+02 3.820281854e+02 5.171090778e+02 5.171183608e+02 1.707862755e+02 2.202153974e+02 4.059021419e+02 1.356411743e+02 2.597132817e+02 1.56 4.383079814e+02 1.174696203e+02 3.233184107e+02 4.383181275e+02 4.383265606e+02 1.446582249e+02 1.860208677e+02 3.435743437e+02 1.145185223e+02 2.197822664e+02 1.58 3.719558929e+02 9.866640589e+01 2.739110262e+02 3.719645252e+02 3.719720775e+02 1.226620912e+02 1.572681603e+02 2.911191367e+02 9.676219878e+01 1.861795123e+02 1.60 3.159804093e+02 8.287355385e+01 2.322621150e+02 3.159873499e+02 3.159938952e+02 1.041126609e+02 1.330518999e+02 2.468978230e+02 8.181167388e+01 1.578544954e+02 1.62 2.686799894e+02 6.959179312e+01 1.970972121e+02 2.686849794e+02 2.686903251e+02 8.844434641e+01 1.126249662e+02 2.095575406e+02 6.920439371e+01 1.339401204e+02 1.64 2.286462253e+02 5.840827597e+01 1.673613945e+02 2.286491937e+02 2.286531801e+02 7.518897451e+01 9.536954608e+01 1.779789138e+02 5.855784794e+01 1.137186341e+02 1.66 1.947110558e+02 4.898112885e+01 1.421798247e+02 1.947121361e+02 1.947147003e+02 6.395824586e+01 8.077349075e+01 1.512337323e+02 4.955511817e+01 9.659485161e+01 1.68 1.659037460e+02 4.102673315e+01 1.208255497e+02 1.659032284e+02 1.659044617e+02 5.442942746e+01 6.841123516e+01 1.285507574e+02 4.193296216e+01 8.207425236e+01 1.70 1.414158563e+02 3.430932090e+01 1.026932756e+02 1.414141731e+02 1.414142835e+02 4.633371029e+01 5.792845906e+01 1.092879389e+02 3.547215699e+01 6.974506852e+01 1.72 1.205728329e+02 2.863229306e+01 8.727810105e+01 1.205703914e+02 1.205696274e+02 3.944680700e+01 4.902958652e+01 9.290964371e+01 2.998984411e+01 5.926381925e+01 1.74 1.028104093e+02 2.383145869e+01 7.415813999e+01 1.028077398e+02 1.028064157e+02 3.358126333e+01 4.146763455e+01 7.896803690e+01 2.533325753e+01 5.034352334e+01 1.76 8.765582290e+01 1.976957929e+01 6.298009306e+01 8.765350144e+01 8.765194249e+01 2.858015867e+01 3.503588747e+01 6.708812311e+01 2.137455721e+01 4.274407260e+01 1.78 7.471234390e+01 1.633177690e+01 5.344736287e+01 7.471086226e+01 7.470936561e+01 2.431178345e+01 2.956106009e+01 5.695533860e+01 1.800655866e+01 3.626416195e+01 1.80 6.364649763e+01 1.342178239e+01 4.531063624e+01 6.364621415e+01 6.364503171e+01 2.066543137e+01 2.489758138e+01 4.830530785e+01 1.513919192e+01 3.073436364e+01 1.82 5.417756691e+01 1.095876582e+01 3.836008242e+01 5.417859968e+01 5.417791926e+01 1.754793900e+01 2.092290700e+01 4.091545289e+01 1.269664418e+01 2.601190935e+01 1.84 4.606892536e+01 8.874561533e+00 3.241870611e+01 4.607103941e+01 4.607096376e+01 1.488065037e+01 1.753380852e+01 3.459808791e+01 1.061506026e+01 2.197644382e+01 1.86 3.912046928e+01 7.111617152e+00 2.733702888e+01 3.912323100e+01 3.912378559e+01 1.259708129e+01 1.464315174e+01 2.919455636e+01 8.840592749e+00 1.852625834e+01 1.88 3.316251228e+01 5.621339862e+00 2.298869598e+01 3.316554622e+01 3.316670755e+01 1.064099416e+01 1.217724118e+01 2.457050416e+01 7.327692001e+00 1.557518663e+01 1.90 2.805121789e+01 4.362695392e+00 1.926678061e+01 2.805423337e+01 2.805592964e+01 8.964747731e+00 1.007367252e+01 2.061214823e+01 6.037772976e+00 1.305020983e+01 1.92 2.366450944e+01 3.301031315e+00 1.608070789e+01 2.366725053e+01 2.366936504e+01 7.527941811e+00 8.279565228e+00 1.722292647e+01 4.938140577e+00 1.088937645e+01 1.94 1.989850332e+01 2.407030072e+00 1.335351068e+01 1.990084309e+01 1.990325711e+01 6.296287632e+00 6.749961566e+00 1.432079611e+01 4.001085376e+00 9.040018225e+00 1.96 1.666470880e+01 1.655884231e+00 1.101954128e+01 1.666665249e+01 1.666925236e+01 5.240562192e+00 5.446478389e+00 1.183601763e+01 3.203072329e+00 7.457318747e+00 1.98 1.388780358e+01 1.026518542e+00 9.022647483e+00 1.388935981e+01 1.389199856e+01 4.335751647e+00 4.336391822e+00 9.709150546e+00 2.524026218e+00 6.103133646e+00 2.00 1.150358274e+01 5.009243930e-01 7.314902016e+00 1.150470405e+01 1.150719817e+01 3.560501603e+00 3.391799741e+00 7.889449547e+00 1.946830096e+00 4.944978872e+00 2.02 9.457113440e+00 6.368849680e-02 5.855394216e+00 9.457737891e+00 9.459894677e+00 2.896573773e+00 2.588896337e+00 6.333526069e+00 1.456912418e+00 3.955073430e+00 2.04 7.701302280e+00 -2.983555099e-01 4.609176077e+00 7.701417166e+00 7.703069304e+00 2.328365982e+00 1.907368341e+00 5.004255464e+00 1.041864916e+00 3.109598576e+00 2.06 6.195809731e+00 -5.964411654e-01 3.546269898e+00 6.195458168e+00 6.196475447e+00 1.842457543e+00 1.329883127e+00 3.869875416e+00 6.910776933e-01 2.388193514e+00 2.08 4.906062994e+00 -8.401521962e-01 2.640993393e+00 4.905321710e+00 4.905621561e+00 1.427336542e+00 8.416310674e-01 2.903196899e+00 3.954412279e-01 1.773458044e+00 2.10 3.802411307e+00 -1.037660901e+00 1.871327977e+00 3.801335473e+00 3.800894218e+00 1.073129231e+00 4.299128836e-01 2.080904183e+00 1.471212978e-01 1.250521124e+00 2.12 2.859309631e+00 -1.195928246e+00 1.218363612e+00 2.857972584e+00 2.856837397e+00 7.713526960e-01 8.384486216e-02 1.382929894e+00 -6.061529394e-02 8.065784897e-01 2.14 2.054739625e+00 -1.320871865e+00 6.658532654e-01 2.053259679e+00 2.051550902e+00 5.147177315e-01 -2.058735872e-01 7.919967978e-01 -2.335649895e-01 4.306294602e-01 2.16 1.369758725e+00 -1.417526525e+00 1.998367614e-01 1.368236660e+00 1.366092055e+00 2.969625431e-01 -4.472260826e-01 2.932406970e-01 -3.767032648e-01 1.132530566e-01 2.18 7.880668277e-01 -1.490248396e+00 -1.916772982e-01 7.865509877e-01 7.840973353e-01 1.127122383e-01 -6.471148977e-01 -1.261514216e-01 -4.942972431e-01 -1.536237704e-01 2.20 2.956424755e-01 -1.542790587e+00 -5.189806886e-01 2.941208478e-01 2.914729014e-01 -4.263995668e-02 -8.114631625e-01 -4.772000742e-01 -5.900125365e-01 -3.769093601e-01 2.22 -1.196097704e-01 -1.578374918e+00 -7.909325489e-01 -1.212042386e-01 -1.239458319e-01 -1.730527020e-01 -9.453365986e-01 -7.694195573e-01 -6.669971770e-01 -5.625391286e-01 2.24 -4.682725432e-01 -1.599774913e+00 -1.015286507e+00 -4.699865772e-01 -4.727173349e-01 -2.819884247e-01 -1.053093371e+00 -1.011091750e+00 -7.279661556e-01 -7.157329780e-01 2.26 -7.595416648e-01 -1.609364322e+00 -1.198762476e+00 -7.613757989e-01 -7.639864237e-01 -3.724363821e-01 -1.138485116e+00 -1.209382123e+00 -7.752698096e-01 -8.410261797e-01 2.28 -1.001380161e+00 -1.609150284e+00 -1.347155562e+00 -1.003281605e+00 -1.005663699e+00 -4.469594118e-01 -1.204717542e+00 -1.370480589e+00 -8.109317448e-01 -9.423344820e-01 2.30 -1.200683291e+00 -1.600824817e+00 -1.465464021e+00 -1.202541916e+00 -1.204593811e+00 -5.077540113e-01 -1.254561528e+00 -1.499730176e+00 -8.366990391e-01 -1.023037634e+00 2.32 -1.363414528e+00 -1.585812334e+00 -1.557992449e+00 -1.365103092e+00 -1.366737009e+00 -5.566956768e-01 -1.290404662e+00 -1.601727752e+00 -8.540978263e-01 -1.086045748e+00 2.34 -1.494701943e+00 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