# 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 = CoCrFe2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.822681095e+04 2.822681095e+04 1.12 2.269576102e+04 2.269576102e+04 1.14 1.831522972e+04 1.831522972e+04 1.16 1.483203889e+04 1.483203889e+04 1.18 1.205171684e+04 1.205171684e+04 1.20 9.824208744e+03 9.824208744e+03 1.22 8.033226393e+03 8.033226393e+03 1.24 6.588268517e+03 6.588268517e+03 1.26 5.418615446e+03 5.418615446e+03 1.28 4.468786896e+03 4.468786896e+03 1.30 3.695090477e+03 3.695090477e+03 1.32 3.062990966e+03 3.062990966e+03 1.34 2.545093741e+03 2.545093741e+03 1.36 2.119592146e+03 2.119592146e+03 1.38 1.769069877e+03 1.769069877e+03 1.40 1.479572257e+03 1.479572257e+03 1.42 1.239882401e+03 1.239882401e+03 1.44 1.040956322e+03 1.040956322e+03 1.46 8.754810079e+02 8.754810079e+02 1.48 7.375263436e+02 7.375263436e+02 1.50 6.222705298e+02 6.222705298e+02 1.52 5.257818765e+02 5.257818765e+02 1.54 4.448460967e+02 4.448460967e+02 1.56 3.768286055e+02 3.768286055e+02 1.58 3.195645080e+02 3.195645080e+02 1.60 2.712709731e+02 2.712709731e+02 1.62 2.304761371e+02 2.304761371e+02 1.64 1.959615629e+02 1.959615629e+02 1.66 1.667166818e+02 1.667166818e+02 1.68 1.419016305e+02 1.419016305e+02 1.70 1.208169893e+02 1.208169893e+02 1.72 1.028792349e+02 1.028792349e+02 1.74 8.760068284e+01 8.760068284e+01 1.76 7.457285010e+01 7.457285010e+01 1.78 6.345275433e+01 6.345275433e+01 1.80 5.395202941e+01 5.395202941e+01 1.82 4.582791206e+01 4.582791206e+01 1.84 3.887557864e+01 3.887557864e+01 1.86 3.292199935e+01 3.292199935e+01 1.88 2.782086027e+01 2.782086027e+01 1.90 2.344829509e+01 2.344829509e+01 1.92 1.969933250e+01 1.969933250e+01 1.94 1.648474080e+01 1.648474080e+01 1.96 1.372839636e+01 1.372839636e+01 1.98 1.136517925e+01 1.136517925e+01 2.00 9.339486815e+00 9.339486815e+00 2.02 7.603833502e+00 7.603833502e+00 2.04 6.117632466e+00 6.117632466e+00 2.06 4.846056700e+00 4.846056700e+00 2.08 3.759252750e+00 3.759252750e+00 2.10 2.831610152e+00 2.831610152e+00 2.12 2.041120974e+00 2.041120974e+00 2.14 1.368863804e+00 1.368863804e+00 2.16 7.985678877e-01 7.985678877e-01 2.18 3.162443487e-01 3.162443487e-01 2.20 -9.012603617e-02 -9.012603617e-02 2.22 -4.308994221e-01 -4.308994221e-01 2.24 -7.151373485e-01 -7.151373485e-01 2.26 -9.506981963e-01 -9.506981963e-01 2.28 -1.144366540e+00 -1.144366540e+00 2.30 -1.302001277e+00 -1.302001277e+00 2.32 -1.428655629e+00 -1.428655629e+00 2.34 -1.528679940e+00 -1.528679940e+00 2.36 -1.605866670e+00 -1.605866670e+00 2.38 -1.663574904e+00 -1.663574904e+00 2.40 -1.704724918e+00 -1.704724918e+00 2.42 -1.731846533e+00 -1.731846533e+00 2.44 -1.747126741e+00 -1.747126741e+00 2.46 -1.752450384e+00 -1.752450384e+00 2.48 -1.749434898e+00 -1.749434898e+00 2.50 -1.739459916e+00 -1.739459916e+00 2.52 -1.723692495e+00 -1.723692495e+00 2.54 -1.703108536e+00 -1.703108536e+00 2.56 -1.678511086e+00 -1.678511086e+00 2.58 -1.650579071e+00 -1.650579071e+00 2.60 -1.619929288e+00 -1.619929288e+00 2.62 -1.587071191e+00 -1.587071191e+00 2.64 -1.552427595e+00 -1.552427595e+00 2.66 -1.516409589e+00 -1.516409589e+00 2.68 -1.479391311e+00 -1.479391311e+00 2.70 -1.441692876e+00 -1.441692876e+00 2.72 -1.403571921e+00 -1.403571921e+00 2.74 -1.365233685e+00 -1.365233685e+00 2.76 -1.326852081e+00 -1.326852081e+00 2.78 -1.288574282e+00 -1.288574282e+00 2.80 -1.250524094e+00 -1.250524094e+00 2.82 -1.212804807e+00 -1.212804807e+00 2.84 -1.175501607e+00 -1.175501607e+00 2.86 -1.138683591e+00 -1.138683591e+00 2.88 -1.102410254e+00 -1.102410254e+00 2.90 -1.066743514e+00 -1.066743514e+00 2.92 -1.031739409e+00 -1.031739409e+00 2.94 -9.974468522e-01 -9.974468522e-01 2.96 -9.639085430e-01 -9.639085430e-01 2.98 -9.311616963e-01 -9.311616963e-01 3.00 -8.992386226e-01 -8.992386226e-01 3.02 -8.681671732e-01 -8.681671732e-01 3.04 -8.379710683e-01 -8.379710683e-01 3.06 -8.086701224e-01 -8.086701224e-01 3.08 -7.802803796e-01 -7.802803796e-01 3.10 -7.528141695e-01 -7.528141695e-01 3.12 -7.262800947e-01 -7.262800947e-01 3.14 -7.006829563e-01 -7.006829563e-01 3.16 -6.760235725e-01 -6.760235725e-01 3.18 -6.522950236e-01 -6.522950236e-01 3.20 -6.294808756e-01 -6.294808756e-01 3.22 -6.075609724e-01 -6.075609724e-01 3.24 -5.865116747e-01 -5.865116747e-01 3.26 -5.663054816e-01 -5.663054816e-01 3.28 -5.469106278e-01 -5.469106278e-01 3.30 -5.282906585e-01 -5.282906585e-01 3.32 -5.104070482e-01 -5.104070482e-01 3.34 -4.932288195e-01 -4.932288195e-01 3.36 -4.767245052e-01 -4.767245052e-01 3.38 -4.608589556e-01 -4.608589556e-01 3.40 -4.455929810e-01 -4.455929810e-01 3.42 -4.308829841e-01 -4.308829841e-01 3.44 -4.166805844e-01 -4.166805844e-01 3.46 -4.029345543e-01 -4.029345543e-01 3.48 -3.896167127e-01 -3.896167127e-01 3.50 -3.767162282e-01 -3.767162282e-01 3.52 -3.642233115e-01 -3.642233115e-01 3.54 -3.521288589e-01 -3.521288589e-01 3.56 -3.404243877e-01 -3.404243877e-01 3.58 -3.291019670e-01 -3.291019670e-01 3.60 -3.181541460e-01 -3.181541460e-01 3.62 -3.075738805e-01 -3.075738805e-01 3.64 -2.973544562e-01 -2.973544562e-01 3.66 -2.874894113e-01 -2.874894113e-01 3.68 -2.779724566e-01 -2.779724566e-01 3.70 -2.687973953e-01 -2.687973953e-01 3.72 -2.599580408e-01 -2.599580408e-01 3.74 -2.514481343e-01 -2.514481343e-01 3.76 -2.432612612e-01 -2.432612612e-01 3.78 -2.353907671e-01 -2.353907671e-01 3.80 -2.278296735e-01 -2.278296735e-01 3.82 -2.205705925e-01 -2.205705925e-01 3.84 -2.136056420e-01 -2.136056420e-01 3.86 -2.069263600e-01 -2.069263600e-01 3.88 -2.005236193e-01 -2.005236193e-01 3.90 -1.943875417e-01 -1.943875417e-01 3.92 -1.885074123e-01 -1.885074123e-01 3.94 -1.828715938e-01 -1.828715938e-01 3.96 -1.774674413e-01 -1.774674413e-01 3.98 -1.722812160e-01 -1.722812160e-01 4.00 -1.672980003e-01 -1.672980003e-01 4.02 -1.625016125e-01 -1.625016125e-01 4.04 -1.578745210e-01 -1.578745210e-01 4.06 -1.533996721e-01 -1.533996721e-01 4.08 -1.490688305e-01 -1.490688305e-01 4.10 -1.448769157e-01 -1.448769157e-01 4.12 -1.408190367e-01 -1.408190367e-01 4.14 -1.368904837e-01 -1.368904837e-01 4.16 -1.330867217e-01 -1.330867217e-01 4.18 -1.294033837e-01 -1.294033837e-01 4.20 -1.258362651e-01 -1.258362651e-01 4.22 -1.223813170e-01 -1.223813170e-01 4.24 -1.190346410e-01 -1.190346410e-01 4.26 -1.157924832e-01 -1.157924832e-01 4.28 -1.126512289e-01 -1.126512289e-01 4.30 -1.096073972e-01 -1.096073972e-01 4.32 -1.066576362e-01 -1.066576362e-01 4.34 -1.037987180e-01 -1.037987180e-01 4.36 -1.010275336e-01 -1.010275336e-01 4.38 -9.834108913e-02 -9.834108913e-02 4.40 -9.573650065e-02 -9.573650065e-02 4.42 -9.321099048e-02 -9.321099048e-02 4.44 -9.076188292e-02 -9.076188292e-02 4.46 -8.838660039e-02 -8.838660039e-02 4.48 -8.608235420e-02 -8.608235420e-02 4.50 -8.384528122e-02 -8.384528122e-02 4.52 -8.167146573e-02 -8.167146573e-02 4.54 -7.955725436e-02 -7.955725436e-02 4.56 -7.749924693e-02 -7.749924693e-02 4.58 -7.549428734e-02 -7.549428734e-02 4.60 -7.353945463e-02 -7.353945463e-02 4.62 -7.163205404e-02 -7.163205404e-02 4.64 -6.976960816e-02 -6.976960816e-02 4.66 -6.794984820e-02 -6.794984820e-02 4.68 -6.617070526e-02 -6.617070526e-02 4.70 -6.443030174e-02 -6.443030174e-02 4.72 -6.272694276e-02 -6.272694276e-02 4.74 -6.105910769e-02 -6.105910769e-02 4.76 -5.942544171e-02 -5.942544171e-02 4.78 -5.782474748e-02 -5.782474748e-02 4.80 -5.625597674e-02 -5.625597674e-02 4.82 -5.471822218e-02 -5.471822218e-02 4.84 -5.321070912e-02 -5.321070912e-02 4.86 -5.173278747e-02 -5.173278747e-02 4.88 -5.028392354e-02 -5.028392354e-02 4.90 -4.886369205e-02 -4.886369205e-02 4.92 -4.747176811e-02 -4.747176811e-02 4.94 -4.610791925e-02 -4.610791925e-02 4.96 -4.477199751e-02 -4.477199751e-02 4.98 -4.346393158e-02 -4.346393158e-02 5.00 -4.218371894e-02 -4.218371894e-02 5.02 -4.093141807e-02 -4.093141807e-02 5.04 -3.970714070e-02 -3.970714070e-02 5.06 -3.851104406e-02 -3.851104406e-02 5.08 -3.734332322e-02 -3.734332322e-02 5.10 -3.620420339e-02 -3.620420339e-02 5.12 -3.509393233e-02 -3.509393233e-02 5.14 -3.401277271e-02 -3.401277271e-02 5.16 -3.296096089e-02 -3.296096089e-02 5.18 -3.193797800e-02 -3.193797800e-02 5.20 -3.094262599e-02 -3.094262599e-02 5.22 -2.997379410e-02 -2.997379410e-02 5.24 -2.903048200e-02 -2.903048200e-02 5.26 -2.811178848e-02 -2.811178848e-02 5.28 -2.721690018e-02 -2.721690018e-02 5.30 -2.634508022e-02 -2.634508022e-02 5.32 -2.549565696e-02 -2.549565696e-02 5.34 -2.466801267e-02 -2.466801267e-02 5.36 -2.386157222e-02 -2.386157222e-02 5.38 -2.307579179e-02 -2.307579179e-02 5.40 -2.231014757e-02 -2.231014757e-02 5.42 -2.156412442e-02 -2.156412442e-02 5.44 -2.083720463e-02 -2.083720463e-02 5.46 -2.012885655e-02 -2.012885655e-02 5.48 -1.943852334e-02 -1.943852334e-02 5.50 -1.876561163e-02 -1.876561163e-02 5.52 -1.810948024e-02 -1.810948024e-02 5.54 -1.746942885e-02 -1.746942885e-02 5.56 -1.684468673e-02 -1.684468673e-02 5.58 -1.623440142e-02 -1.623440142e-02 5.60 -1.563762740e-02 -1.563762740e-02 5.62 -1.505331485e-02 -1.505331485e-02 5.64 -1.448029828e-02 -1.448029828e-02 5.66 -1.391728527e-02 -1.391728527e-02 5.68 -1.336284515e-02 -1.336284515e-02 5.70 -1.281539768e-02 -1.281539768e-02 5.72 -1.227320586e-02 -1.227320586e-02 5.74 -1.173512203e-02 -1.173512203e-02 5.76 -1.120155805e-02 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