# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoFe # 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 2024-04-11 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan nan nan nan nan 0.90 nan nan nan nan nan nan nan nan 0.92 nan nan nan nan nan nan nan nan 0.94 nan nan nan nan nan nan nan nan 0.96 nan nan nan nan nan nan nan nan 0.98 nan nan nan nan nan nan nan nan 1.00 nan nan nan nan 2.294822234e+02 2.294822234e+02 nan nan 1.02 nan nan nan nan 2.079310452e+02 2.079310452e+02 nan nan 1.04 nan nan nan nan 1.884914655e+02 1.884914655e+02 nan nan 1.06 nan nan nan nan 1.709416822e+02 1.709416822e+02 nan nan 1.08 nan nan nan nan 1.550861471e+02 1.550861471e+02 nan nan 1.10 nan nan nan nan 1.407504777e+02 1.407504777e+02 nan nan 1.12 2.232710491e+02 2.232710491e+02 nan nan 1.277774600e+02 1.277774600e+02 nan nan 1.14 2.027482809e+02 2.027482809e+02 nan nan 1.160242440e+02 1.160242440e+02 nan nan 1.16 1.841000778e+02 1.841000778e+02 nan nan 1.053615110e+02 1.053615110e+02 nan nan 1.18 1.671487575e+02 1.671487575e+02 nan nan 9.567413429e+01 9.567413429e+01 nan nan 1.20 1.517349205e+02 1.517349205e+02 nan nan 8.686168934e+01 8.686168934e+01 nan nan 1.22 1.377152803e+02 1.377152803e+02 nan nan 7.883763422e+01 7.883763422e+01 nan nan 1.24 1.249618773e+02 1.249618773e+02 nan nan 7.152739083e+01 7.152739083e+01 nan nan 1.26 1.133610620e+02 1.133610620e+02 nan nan 6.486592433e+01 6.486592433e+01 nan nan 1.28 1.028109085e+02 1.028109085e+02 1.588115078e+02 1.588115078e+02 5.879514923e+01 5.879514923e+01 1.758925340e+02 1.758925340e+02 1.30 9.321782385e+01 9.321782385e+01 1.446744851e+02 1.446744851e+02 5.326166765e+01 5.326166765e+01 1.604876397e+02 1.604876397e+02 1.32 8.449386393e+01 8.449386393e+01 1.317388939e+02 1.317388939e+02 4.821614003e+01 4.821614003e+01 1.463849557e+02 1.463849557e+02 1.34 7.655579088e+01 7.655579088e+01 1.198947910e+02 1.198947910e+02 4.361539423e+01 4.361539423e+01 1.334718875e+02 1.334718875e+02 1.36 6.932610974e+01 6.932610974e+01 1.090455010e+02 1.090455010e+02 3.941849603e+01 3.941849603e+01 1.216457190e+02 1.216457190e+02 1.38 6.273492554e+01 6.273492554e+01 9.910613445e+01 9.910613445e+01 3.558778214e+01 3.558778214e+01 1.108130245e+02 1.108130245e+02 1.40 5.672093773e+01 5.672093773e+01 9.000128321e+01 9.000128321e+01 3.208961812e+01 3.208961812e+01 1.008888007e+02 1.008888007e+02 1.42 5.123097226e+01 5.123097226e+01 8.166280506e+01 8.166280506e+01 2.889403589e+01 2.889403589e+01 9.179538888e+01 9.179538888e+01 1.44 4.621844076e+01 4.621844076e+01 7.402810036e+01 7.402810036e+01 2.597416959e+01 2.597416959e+01 8.346171335e+01 8.346171335e+01 1.46 4.164151378e+01 4.164151378e+01 6.703925236e+01 6.703925236e+01 2.330578933e+01 2.330578933e+01 7.582285362e+01 7.582285362e+01 1.48 3.746168579e+01 3.746168579e+01 6.064307511e+01 6.064307511e+01 2.086714157e+01 2.086714157e+01 6.881969989e+01 6.881969989e+01 1.50 3.364361690e+01 3.364361690e+01 5.479132889e+01 5.479132889e+01 1.863889008e+01 1.863889008e+01 6.239857934e+01 6.239857934e+01 1.52 3.015716602e+01 3.015716602e+01 4.944029357e+01 4.944029357e+01 1.660381513e+01 1.660381513e+01 5.651085979e+01 5.651085979e+01 1.54 2.697357687e+01 2.697357687e+01 4.454982015e+01 4.454982015e+01 1.474631083e+01 1.474631083e+01 5.111252635e+01 5.111252635e+01 1.56 2.406678283e+01 2.406678283e+01 4.008253313e+01 4.008253313e+01 1.305199853e+01 1.305199853e+01 4.616369255e+01 4.616369255e+01 1.58 2.141343770e+01 2.141343770e+01 3.600345280e+01 3.600345280e+01 1.150756366e+01 1.150756366e+01 4.162803798e+01 4.162803798e+01 1.60 1.899237231e+01 1.899237231e+01 3.227984206e+01 3.227984206e+01 1.010068501e+01 1.010068501e+01 3.747224431e+01 3.747224431e+01 1.62 1.678418730e+01 1.678418730e+01 2.888089462e+01 2.888089462e+01 8.819948904e+00 8.819948904e+00 3.366556745e+01 3.366556745e+01 1.64 1.477094279e+01 1.477094279e+01 2.577929463e+01 2.577929463e+01 7.654742584e+00 7.654742584e+00 3.017954420e+01 3.017954420e+01 1.66 1.293595224e+01 1.293595224e+01 2.294962027e+01 2.294962027e+01 6.595173242e+00 6.595173242e+00 2.698864094e+01 2.698864094e+01 1.68 1.126377425e+01 1.126377425e+01 2.036730071e+01 2.036730071e+01 5.632054641e+00 5.632054641e+00 2.407034630e+01 2.407034630e+01 1.70 9.740344000e+00 9.740344000e+00 1.801003104e+01 1.801003104e+01 4.756934052e+00 4.756934052e+00 2.140266722e+01 2.140266722e+01 1.72 8.353020571e+00 8.353020571e+00 1.585780161e+01 1.585780161e+01 3.962077649e+00 3.962077649e+00 1.896545547e+01 1.896545547e+01 1.74 7.090435621e+00 7.090435621e+00 1.389271531e+01 1.389271531e+01 3.240392452e+00 3.240392452e+00 1.674028783e+01 1.674028783e+01 1.76 5.942250783e+00 5.942250783e+00 1.209873318e+01 1.209873318e+01 2.585362130e+00 2.585362130e+00 1.471026841e+01 1.471026841e+01 1.78 4.898975978e+00 4.898975978e+00 1.046149357e+01 1.046149357e+01 1.991066908e+00 1.991066908e+00 1.285977657e+01 1.285977657e+01 1.80 3.951884150e+00 3.951884150e+00 8.968198500e+00 8.968198500e+00 1.452252898e+00 1.452252898e+00 1.117419554e+01 1.117419554e+01 1.82 3.092962363e+00 3.092962363e+00 7.607467570e+00 7.607467570e+00 9.643473978e-01 9.643473978e-01 9.639695607e+00 9.639695607e+00 1.84 2.314846050e+00 2.314846050e+00 6.369106831e+00 6.369106831e+00 5.233677856e-01 5.233677856e-01 8.243140101e+00 8.243140101e+00 1.86 1.610738934e+00 1.610738934e+00 5.243832219e+00 5.243832219e+00 1.257673316e-01 1.257673316e-01 6.972126826e+00 6.972126826e+00 1.88 9.743496790e-01 9.743496790e-01 4.223012280e+00 4.223012280e+00 -2.317125835e-01 -2.317125835e-01 5.815108183e+00 5.815108183e+00 1.90 3.998651998e-01 3.998651998e-01 3.298465505e+00 3.298465505e+00 -5.521541184e-01 -5.521541184e-01 4.761512131e+00 4.761512131e+00 1.92 -1.180432122e-01 -1.180432122e-01 2.462325037e+00 2.462325037e+00 -8.385452107e-01 -8.385452107e-01 3.801820048e+00 3.801820048e+00 1.94 -5.842030677e-01 -5.842030677e-01 1.706980681e+00 1.706980681e+00 -1.093846367e+00 -1.093846367e+00 2.927589458e+00 2.927589458e+00 1.96 -1.002941774e+00 -1.002941774e+00 1.025100228e+00 1.025100228e+00 -1.321139813e+00 -1.321139813e+00 2.131412837e+00 2.131412837e+00 1.98 -1.378125711e+00 -1.378125711e+00 4.097123724e-01 4.097123724e-01 -1.523300324e+00 -1.523300324e+00 1.406811277e+00 1.406811277e+00 2.00 -1.713235491e+00 -1.713235491e+00 -1.456809256e-01 -1.456809256e-01 -1.703077062e+00 -1.703077062e+00 7.480880461e-01 7.480880461e-01 2.02 -2.011451029e+00 -2.011451029e+00 -6.469988849e-01 -6.469988849e-01 -1.863100236e+00 -1.863100236e+00 1.501815364e-01 1.501815364e-01 2.04 -2.275710905e+00 -2.275710905e+00 -1.099517033e+00 -1.099517033e+00 -2.005763533e+00 -2.005763533e+00 -3.914576506e-01 -3.914576506e-01 2.06 -2.508729480e+00 -2.508729480e+00 -1.507861090e+00 -1.507861090e+00 -2.133139821e+00 -2.133139821e+00 -8.809656700e-01 -8.809656700e-01 2.08 -2.712990102e+00 -2.712990102e+00 -1.876053104e+00 -1.876053104e+00 -2.246900086e+00 -2.246900086e+00 -1.322151661e+00 -1.322151661e+00 2.10 -2.890749297e+00 -2.890749297e+00 -2.207589501e+00 -2.207589501e+00 -2.348210420e+00 -2.348210420e+00 -1.718576144e+00 -1.718576144e+00 2.12 -3.044069872e+00 -3.044069872e+00 -2.505531488e+00 -2.505531488e+00 -2.437930178e+00 -2.437930178e+00 -2.073615823e+00 -2.073615823e+00 2.14 -3.174874346e+00 -3.174874346e+00 -2.772592534e+00 -2.772592534e+00 -2.516786891e+00 -2.516786891e+00 -2.390504595e+00 -2.390504595e+00 2.16 -3.285001029e+00 -3.285001029e+00 -3.011211150e+00 -3.011211150e+00 -2.585403802e+00 -2.585403802e+00 -2.672344622e+00 -2.672344622e+00 2.18 -3.376334314e+00 -3.376334314e+00 -3.223602996e+00 -3.223602996e+00 -2.644068955e+00 -2.644068955e+00 -2.922092097e+00 -2.922092097e+00 2.20 -3.450665164e+00 -3.450665164e+00 -3.411794698e+00 -3.411794698e+00 -2.692948489e+00 -2.692948489e+00 -3.142533608e+00 -3.142533608e+00 2.22 -3.509636358e+00 -3.509636358e+00 -3.577647291e+00 -3.577647291e+00 -2.732332438e+00 -2.732332438e+00 -3.336270848e+00 -3.336270848e+00 2.24 -3.554917605e+00 -3.554917605e+00 -3.722876186e+00 -3.722876186e+00 -2.762593467e+00 -2.762593467e+00 -3.505720977e+00 -3.505720977e+00 2.26 -3.588156016e+00 -3.588156016e+00 -3.849069777e+00 -3.849069777e+00 -2.784159803e+00 -2.784159803e+00 -3.653126749e+00 -3.653126749e+00 2.28 -3.610930377e+00 -3.610930377e+00 -3.957705370e+00 -3.957705370e+00 -2.797501468e+00 -2.797501468e+00 -3.780565760e+00 -3.780565760e+00 2.30 -3.624723749e+00 -3.624723749e+00 -4.050160808e+00 -4.050160808e+00 -2.803121760e+00 -2.803121760e+00 -3.889952779e+00 -3.889952779e+00 2.32 -3.630775050e+00 -3.630775050e+00 -4.127721454e+00 -4.127721454e+00 -2.801549102e+00 -2.801549102e+00 -3.983037048e+00 -3.983037048e+00 2.34 -3.630067882e+00 -3.630067882e+00 -4.191589891e+00 -4.191589891e+00 -2.793327370e+00 -2.793327370e+00 -4.061401639e+00 -4.061401639e+00 2.36 -3.623511568e+00 -3.623511568e+00 -4.242982204e+00 -4.242982204e+00 -2.779004764e+00 -2.779004764e+00 -4.126471441e+00 -4.126471441e+00 2.38 -3.611929514e+00 -3.611929514e+00 -4.282839482e+00 -4.282839482e+00 -2.759122293e+00 -2.759122293e+00 -4.179556148e+00 -4.179556148e+00 2.40 -3.595978431e+00 -3.595978431e+00 -4.311978669e+00 -4.311978669e+00 -2.734203291e+00 -2.734203291e+00 -4.221911391e+00 -4.221911391e+00 2.42 -3.575767050e+00 -3.575767050e+00 -4.331180139e+00 -4.331180139e+00 -2.704745231e+00 -2.704745231e+00 -4.254489562e+00 -4.254489562e+00 2.44 -3.551281953e+00 -3.551281953e+00 -4.341191294e+00 -4.341191294e+00 -2.671214702e+00 -2.671214702e+00 -4.278165374e+00 -4.278165374e+00 2.46 -3.522647700e+00 -3.522647700e+00 -4.342733248e+00 -4.342733248e+00 -2.634046130e+00 -2.634046130e+00 -4.293770358e+00 -4.293770358e+00 2.48 -3.490077657e+00 -3.490077657e+00 -4.336510582e+00 -4.336510582e+00 -2.593644534e+00 -2.593644534e+00 -4.302088242e+00 -4.302088242e+00 2.50 -3.453834202e+00 -3.453834202e+00 -4.323099916e+00 -4.323099916e+00 -2.550392384e+00 -2.550392384e+00 -4.303847516e+00 -4.303847516e+00 2.52 -3.414198201e+00 -3.414198201e+00 -4.302941567e+00 -4.302941567e+00 -2.504659968e+00 -2.504659968e+00 -4.299713834e+00 -4.299713834e+00 2.54 -3.371446920e+00 -3.371446920e+00 -4.276523722e+00 -4.276523722e+00 -2.456817339e+00 -2.456817339e+00 -4.290151325e+00 -4.290151325e+00 2.56 -3.325840805e+00 -3.325840805e+00 -4.244383124e+00 -4.244383124e+00 -2.407244077e+00 -2.407244077e+00 -4.275465718e+00 -4.275465718e+00 2.58 -3.277618760e+00 -3.277618760e+00 -4.207090263e+00 -4.207090263e+00 -2.356331731e+00 -2.356331731e+00 -4.255951434e+00 -4.255951434e+00 2.60 -3.226999662e+00 -3.226999662e+00 -4.165228155e+00 -4.165228155e+00 -2.304474722e+00 -2.304474722e+00 -4.231891531e+00 -4.231891531e+00 2.62 -3.174186773e+00 -3.174186773e+00 -4.119300303e+00 -4.119300303e+00 -2.252049672e+00 -2.252049672e+00 -4.203555386e+00 -4.203555386e+00 2.64 -3.119372131e+00 -3.119372131e+00 -4.069435283e+00 -4.069435283e+00 -2.199389150e+00 -2.199389150e+00 -4.171197578e+00 -4.171197578e+00 2.66 -3.062739243e+00 -3.062739243e+00 -4.015671522e+00 -4.015671522e+00 -2.146759492e+00 -2.146759492e+00 -4.135037273e+00 -4.135037273e+00 2.68 -3.004463710e+00 -3.004463710e+00 -3.958076214e+00 -3.958076214e+00 -2.094350559e+00 -2.094350559e+00 -4.095049943e+00 -4.095049943e+00 2.70 -2.944712263e+00 -2.944712263e+00 -3.896733699e+00 -3.896733699e+00 -2.042279236e+00 -2.042279236e+00 -4.051105337e+00 -4.051105337e+00 2.72 -2.883641213e+00 -2.883641213e+00 -3.831744758e+00 -3.831744758e+00 -1.990602624e+00 -1.990602624e+00 -4.003138118e+00 -4.003138118e+00 2.74 -2.821395453e+00 -2.821395453e+00 -3.763232782e+00 -3.763232782e+00 -1.939334621e+00 -1.939334621e+00 -3.951143745e+00 -3.951143745e+00 2.76 -2.758109056e+00 -2.758109056e+00 -3.691352454e+00 -3.691352454e+00 -1.888460951e+00 -1.888460951e+00 -3.895174784e+00 -3.895174784e+00 2.78 -2.693908040e+00 -2.693908040e+00 -3.616297636e+00 -3.616297636e+00 -1.837950426e+00 -1.837950426e+00 -3.835337900e+00 -3.835337900e+00 2.80 -2.628915102e+00 -2.628915102e+00 -3.538306263e+00 -3.538306263e+00 -1.787762428e+00 -1.787762428e+00 -3.771788444e+00 -3.771788444e+00 2.82 -2.563255175e+00 -2.563255175e+00 -3.457660831e+00 -3.457660831e+00 -1.737851689e+00 -1.737851689e+00 -3.704720942e+00 -3.704720942e+00 2.84 -2.497059802e+00 -2.497059802e+00 -3.374683763e+00 -3.374683763e+00 -1.688171603e+00 -1.688171603e+00 -3.634356267e+00 -3.634356267e+00 2.86 -2.430468158e+00 -2.430468158e+00 -3.289727711e+00 -3.289727711e+00 -1.638677069e+00 -1.638677069e+00 -3.560928298e+00 -3.560928298e+00 2.88 -2.363623407e+00 -2.363623407e+00 -3.203161857e+00 -3.203161857e+00 -1.589327498e+00 -1.589327498e+00 -3.484673011e+00 -3.484673011e+00 2.90 -2.296664974e+00 -2.296664974e+00 -3.115356255e+00 -3.115356255e+00 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