# 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 = Co2FeW # 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 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.116387672e+02 2.116387672e+02 1.30 1.936533893e+02 1.936533893e+02 1.32 1.771553904e+02 1.771553904e+02 1.34 1.620123893e+02 1.620123893e+02 1.36 1.481040320e+02 1.481040320e+02 1.38 1.353218504e+02 1.353218504e+02 1.40 1.235690005e+02 1.235690005e+02 1.42 1.127594238e+02 1.127594238e+02 1.44 1.028162196e+02 1.028162196e+02 1.46 9.366989117e+01 9.366989117e+01 1.48 8.525726924e+01 8.525726924e+01 1.50 7.752099269e+01 7.752099269e+01 1.52 7.040890614e+01 7.040890614e+01 1.54 6.387327186e+01 6.387327186e+01 1.56 5.787013584e+01 5.787013584e+01 1.58 5.235891350e+01 5.235891350e+01 1.60 4.730199718e+01 4.730199718e+01 1.62 4.266429411e+01 4.266429411e+01 1.64 3.841278356e+01 3.841278356e+01 1.66 3.451625046e+01 3.451625046e+01 1.68 3.094534364e+01 3.094534364e+01 1.70 2.767329031e+01 2.767329031e+01 1.72 2.467485424e+01 2.467485424e+01 1.74 2.192657230e+01 2.192657230e+01 1.76 1.940679475e+01 1.940679475e+01 1.78 1.709729151e+01 1.709729151e+01 1.80 1.498092269e+01 1.498092269e+01 1.82 1.304160976e+01 1.304160976e+01 1.84 1.126509007e+01 1.126509007e+01 1.86 9.638742618e+00 9.638742618e+00 1.88 8.151337612e+00 8.151337612e+00 1.90 6.792738643e+00 6.792738643e+00 1.92 5.553601052e+00 5.553601052e+00 1.94 4.425126802e+00 4.425126802e+00 1.96 3.398921776e+00 3.398921776e+00 1.98 2.466958335e+00 2.466958335e+00 2.00 1.621607316e+00 1.621607316e+00 2.02 8.556870123e-01 8.556870123e-01 2.04 1.624825906e-01 1.624825906e-01 2.06 -4.642806865e-01 -4.642806865e-01 2.08 -1.030489880e+00 -1.030489880e+00 2.10 -1.541686955e+00 -1.541686955e+00 2.12 -2.003077793e+00 -2.003077793e+00 2.14 -2.419504444e+00 -2.419504444e+00 2.16 -2.795393528e+00 -2.795393528e+00 2.18 -3.134702979e+00 -3.134702979e+00 2.20 -3.440890771e+00 -3.440890771e+00 2.22 -3.716833102e+00 -3.716833102e+00 2.24 -3.965049219e+00 -3.965049219e+00 2.26 -4.187880127e+00 -4.187880127e+00 2.28 -4.387304772e+00 -4.387304772e+00 2.30 -4.565029762e+00 -4.565029762e+00 2.32 -4.722563044e+00 -4.722563044e+00 2.34 -4.861200228e+00 -4.861200228e+00 2.36 -4.981765537e+00 -4.981765537e+00 2.38 -5.084997192e+00 -5.084997192e+00 2.40 -5.171695389e+00 -5.171695389e+00 2.42 -5.242686993e+00 -5.242686993e+00 2.44 -5.298805584e+00 -5.298805584e+00 2.46 -5.340882936e+00 -5.340882936e+00 2.48 -5.369747678e+00 -5.369747678e+00 2.50 -5.386227869e+00 -5.386227869e+00 2.52 -5.391155929e+00 -5.391155929e+00 2.54 -5.385375038e+00 -5.385375038e+00 2.56 -5.369744420e+00 -5.369744420e+00 2.58 -5.345169583e+00 -5.345169583e+00 2.60 -5.312588207e+00 -5.312588207e+00 2.62 -5.272755456e+00 -5.272755456e+00 2.64 -5.226376431e+00 -5.226376431e+00 2.66 -5.174087132e+00 -5.174087132e+00 2.68 -5.116440255e+00 -5.116440255e+00 2.70 -5.053909988e+00 -5.053909988e+00 2.72 -4.986901354e+00 -4.986901354e+00 2.74 -4.915771356e+00 -4.915771356e+00 2.76 -4.840758942e+00 -4.840758942e+00 2.78 -4.762085243e+00 -4.762085243e+00 2.80 -4.680020336e+00 -4.680020336e+00 2.82 -4.594837527e+00 -4.594837527e+00 2.84 -4.506622617e+00 -4.506622617e+00 2.86 -4.415442471e+00 -4.415442471e+00 2.88 -4.321417159e+00 -4.321417159e+00 2.90 -4.224708621e+00 -4.224708621e+00 2.92 -4.125513980e+00 -4.125513980e+00 2.94 -4.024063508e+00 -4.024063508e+00 2.96 -3.920621943e+00 -3.920621943e+00 2.98 -3.815490615e+00 -3.815490615e+00 3.00 -3.709007193e+00 -3.709007193e+00 3.02 -3.601540083e+00 -3.601540083e+00 3.04 -3.493475801e+00 -3.493475801e+00 3.06 -3.385199903e+00 -3.385199903e+00 3.08 -3.277074468e+00 -3.277074468e+00 3.10 -3.169416741e+00 -3.169416741e+00 3.12 -3.062483596e+00 -3.062483596e+00 3.14 -2.956464810e+00 -2.956464810e+00 3.16 -2.851485707e+00 -2.851485707e+00 3.18 -2.747617519e+00 -2.747617519e+00 3.20 -2.644892593e+00 -2.644892593e+00 3.22 -2.543321432e+00 -2.543321432e+00 3.24 -2.442909085e+00 -2.442909085e+00 3.26 -2.343669249e+00 -2.343669249e+00 3.28 -2.245635236e+00 -2.245635236e+00 3.30 -2.148867566e+00 -2.148867566e+00 3.32 -2.053458383e+00 -2.053458383e+00 3.34 -1.959533064e+00 -1.959533064e+00 3.36 -1.867249452e+00 -1.867249452e+00 3.38 -1.776795007e+00 -1.776795007e+00 3.40 -1.688382102e+00 -1.688382102e+00 3.42 -1.602241517e+00 -1.602241517e+00 3.44 -1.518614254e+00 -1.518614254e+00 3.46 -1.437741889e+00 -1.437741889e+00 3.48 -1.359855920e+00 -1.359855920e+00 3.50 -1.285166821e+00 -1.285166821e+00 3.52 -1.213853703e+00 -1.213853703e+00 3.54 -1.146055522e+00 -1.146055522e+00 3.56 -1.081864682e+00 -1.081864682e+00 3.58 -1.021323587e+00 -1.021323587e+00 3.60 -9.644243188e-01 -9.644243188e-01 3.62 -9.111112761e-01 -9.111112761e-01 3.64 -8.612862487e-01 -8.612862487e-01 3.66 -8.148152311e-01 -8.148152311e-01 3.68 -7.715361904e-01 -7.715361904e-01 3.70 -7.312670566e-01 -7.312670566e-01 3.72 -6.938133290e-01 -6.938133290e-01 3.74 -6.589748656e-01 -6.589748656e-01 3.76 -6.265515991e-01 -6.265515991e-01 3.78 -5.963480795e-01 -5.963480795e-01 3.80 -5.681768665e-01 -5.681768665e-01 3.82 -5.418608735e-01 -5.418608735e-01 3.84 -5.172348147e-01 -5.172348147e-01 3.86 -4.941459190e-01 -4.941459190e-01 3.88 -4.724540759e-01 -4.724540759e-01 3.90 -4.520315599e-01 -4.520315599e-01 3.92 -4.327624635e-01 -4.327624635e-01 3.94 -4.145419417e-01 -4.145419417e-01 3.96 -3.972753560e-01 -3.972753560e-01 3.98 -3.808773851e-01 -3.808773851e-01 4.00 -3.652711548e-01 -3.652711548e-01 4.02 -3.503874293e-01 -3.503874293e-01 4.04 -3.361638966e-01 -3.361638966e-01 4.06 -3.225445713e-01 -3.225445713e-01 4.08 -3.094793338e-01 -3.094793338e-01 4.10 -2.969236130e-01 -2.969236130e-01 4.12 -2.848382132e-01 -2.848382132e-01 4.14 -2.731892659e-01 -2.731892659e-01 4.16 -2.619482761e-01 -2.619482761e-01 4.18 -2.510922036e-01 -2.510922036e-01 4.20 -2.406035041e-01 -2.406035041e-01 4.22 -2.304700347e-01 -2.304700347e-01 4.24 -2.206847284e-01 -2.206847284e-01 4.26 -2.112449600e-01 -2.112449600e-01 4.28 -2.021515692e-01 -2.021515692e-01 4.30 -1.934075717e-01 -1.934075717e-01 4.32 -1.850166652e-01 -1.850166652e-01 4.34 -1.769816933e-01 -1.769816933e-01 4.36 -1.693032408e-01 -1.693032408e-01 4.38 -1.619783006e-01 -1.619783006e-01 4.40 -1.550003985e-01 -1.550003985e-01 4.42 -1.483590918e-01 -1.483590918e-01 4.44 -1.420400721e-01 -1.420400721e-01 4.46 -1.360257913e-01 -1.360257913e-01 4.48 -1.302962603e-01 -1.302962603e-01 4.50 -1.248298872e-01 -1.248298872e-01 4.52 -1.196042527e-01 -1.196042527e-01 4.54 -1.145967609e-01 -1.145967609e-01 4.56 -1.097851386e-01 -1.097851386e-01 4.58 -1.051477914e-01 -1.051477914e-01 4.60 -1.006640361e-01 -1.006640361e-01 4.62 -9.631424596e-02 -9.631424596e-02 4.64 -9.207994385e-02 -9.207994385e-02 4.66 -8.794387739e-02 -8.794387739e-02 4.68 -8.389010681e-02 -8.389010681e-02 4.70 -7.990412925e-02 -7.990412925e-02 4.72 -7.597305708e-02 -7.597305708e-02 4.74 -7.208585966e-02 -7.208585966e-02 4.76 -6.823366905e-02 -6.823366905e-02 4.78 -6.441013887e-02 -6.441013887e-02 4.80 -6.061183269e-02 -6.061183269e-02 4.82 -5.683860504e-02 -5.683860504e-02 4.84 -5.309392262e-02 -5.309392262e-02 4.86 -4.938506599e-02 -4.938506599e-02 4.88 -4.572314493e-02 -4.572314493e-02 4.90 -4.212286902e-02 -4.212286902e-02 4.92 -3.860203359e-02 -3.860203359e-02 4.94 -3.518071370e-02 -3.518071370e-02 4.96 -3.188020149e-02 -3.188020149e-02 4.98 -2.872176330e-02 -2.872176330e-02 5.00 -2.572533557e-02 -2.572533557e-02 5.02 -2.290829575e-02 -2.290829575e-02 5.04 -2.028443680e-02 -2.028443680e-02 5.06 -1.786325019e-02 -1.786325019e-02 5.08 -1.564925971e-02 -1.564925971e-02 5.10 -1.364246131e-02 -1.364246131e-02 5.12 -1.183916205e-02 -1.183916205e-02 5.14 -1.023182820e-02 -1.023182820e-02 5.16 -8.809869750e-03 -8.809869750e-03 5.18 -7.560488228e-03 -7.560488228e-03 5.20 -6.469496072e-03 -6.469496072e-03 5.22 -5.522048412e-03 -5.522048412e-03 5.24 -4.703252825e-03 -4.703252825e-03 5.26 -3.998644031e-03 -3.998644031e-03 5.28 -3.394526787e-03 -3.394526787e-03 5.30 -2.878200773e-03 -2.878200773e-03 5.32 -2.438086795e-03 -2.438086795e-03 5.34 -2.063775259e-03 -2.063775259e-03 5.36 -1.746016915e-03 -1.746016915e-03 5.38 -1.476673405e-03 -1.476673405e-03 5.40 -1.248642078e-03 -1.248642078e-03 5.42 -1.055766358e-03 -1.055766358e-03 5.44 -8.927400543e-04 -8.927400543e-04 5.46 -7.550115617e-04 -7.550115617e-04 5.48 -6.386919110e-04 -6.386919110e-04 5.50 -5.404690973e-04 -5.404690973e-04 5.52 -4.575300066e-04 -4.575300066e-04 5.54 -3.874904555e-04 -3.874904555e-04 5.56 -3.283333200e-04 -3.283333200e-04 5.58 -2.783543878e-04 -2.783543878e-04 5.60 -2.361153653e-04 -2.361153653e-04 5.62 -2.004033686e-04 -2.004033686e-04 5.64 -1.701961946e-04 -1.701961946e-04 5.66 -1.446326806e-04 -1.446326806e-04 5.68 -1.229874969e-04 -1.229874969e-04 5.70 -1.046497726e-04 -1.046497726e-04 5.72 -8.910501508e-05 -8.910501508e-05 5.74 -7.591984366e-05 -7.591984366e-05 5.76 -6.472911880e-05 -6.472911880e-05 5.78 -5.522510372e-05 -5.522510372e-05 5.80 -4.714834541e-05 -4.714834541e-05 5.82 -4.028000719e-05 -4.028000719e-05 5.84 -3.443542460e-05 -3.443542460e-05 5.86 -2.945869081e-05 -2.945869081e-05 5.88 -2.521810781e-05 -2.521810781e-05 5.90 -2.160236477e-05 -2.160236477e-05 5.92 -1.851732707e-05 -1.851732707e-05 5.94 -1.588333788e-05 -1.588333788e-05 5.96 -1.363294986e-05 -1.363294986e-05 5.98 -1.170901777e-05 -1.170901777e-05 6.00 -1.006309395e-05 -1.006309395e-05