# 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 = Fe2NiPd # 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 1.985848062e+02 1.985848062e+02 1.30 1.818784049e+02 1.818784049e+02 1.32 1.665291015e+02 1.665291015e+02 1.34 1.524221611e+02 1.524221611e+02 1.36 1.394535941e+02 1.394535941e+02 1.38 1.275281335e+02 1.275281335e+02 1.40 1.165581817e+02 1.165581817e+02 1.42 1.064637452e+02 1.064637452e+02 1.44 9.717276208e+01 9.717276208e+01 1.46 8.862085962e+01 8.862085962e+01 1.48 8.075019434e+01 8.075019434e+01 1.50 7.350788630e+01 7.350788630e+01 1.52 6.684476774e+01 6.684476774e+01 1.54 6.071470476e+01 6.071470476e+01 1.56 5.507426640e+01 5.507426640e+01 1.58 4.988253858e+01 4.988253858e+01 1.60 4.510116980e+01 4.510116980e+01 1.62 4.069464830e+01 4.069464830e+01 1.64 3.663501545e+01 3.663501545e+01 1.66 3.291209575e+01 3.291209575e+01 1.68 2.950141580e+01 2.950141580e+01 1.70 2.637914985e+01 2.637914985e+01 1.72 2.352370626e+01 2.352370626e+01 1.74 2.091499981e+01 2.091499981e+01 1.76 1.853393164e+01 1.853393164e+01 1.78 1.636216584e+01 1.636216584e+01 1.80 1.438218751e+01 1.438218751e+01 1.82 1.257751706e+01 1.257751706e+01 1.84 1.093290922e+01 1.093290922e+01 1.86 9.434427731e+00 9.434427731e+00 1.88 8.069398076e+00 8.069398076e+00 1.90 6.826299873e+00 6.826299873e+00 1.92 5.694646979e+00 5.694646979e+00 1.94 4.664871032e+00 4.664871032e+00 1.96 3.728209881e+00 3.728209881e+00 1.98 2.876606599e+00 2.876606599e+00 2.00 2.102632490e+00 2.102632490e+00 2.02 1.399445901e+00 1.399445901e+00 2.04 7.607856225e-01 7.607856225e-01 2.06 1.809820826e-01 1.809820826e-01 2.08 -3.450376212e-01 -3.450376212e-01 2.10 -8.217691177e-01 -8.217691177e-01 2.12 -1.253179600e+00 -1.253179600e+00 2.14 -1.642779110e+00 -1.642779110e+00 2.16 -1.993701706e+00 -1.993701706e+00 2.18 -2.308784459e+00 -2.308784459e+00 2.20 -2.590635946e+00 -2.590635946e+00 2.22 -2.841690021e+00 -2.841690021e+00 2.24 -3.064243996e+00 -3.064243996e+00 2.26 -3.260482829e+00 -3.260482829e+00 2.28 -3.432492661e+00 -3.432492661e+00 2.30 -3.582267305e+00 -3.582267305e+00 2.32 -3.711709391e+00 -3.711709391e+00 2.34 -3.822624926e+00 -3.822624926e+00 2.36 -3.916709866e+00 -3.916709866e+00 2.38 -3.995531982e+00 -3.995531982e+00 2.40 -4.060513499e+00 -4.060513499e+00 2.42 -4.112929103e+00 -4.112929103e+00 2.44 -4.153921280e+00 -4.153921280e+00 2.46 -4.184524755e+00 -4.184524755e+00 2.48 -4.206023382e+00 -4.206023382e+00 2.50 -4.219360021e+00 -4.219360021e+00 2.52 -4.225090577e+00 -4.225090577e+00 2.54 -4.223594536e+00 -4.223594536e+00 2.56 -4.215218579e+00 -4.215218579e+00 2.58 -4.200325230e+00 -4.200325230e+00 2.60 -4.179277487e+00 -4.179277487e+00 2.62 -4.152451838e+00 -4.152451838e+00 2.64 -4.120271822e+00 -4.120271822e+00 2.66 -4.083072526e+00 -4.083072526e+00 2.68 -4.040909292e+00 -4.040909292e+00 2.70 -3.993837699e+00 -3.993837699e+00 2.72 -3.941983008e+00 -3.941983008e+00 2.74 -3.885533214e+00 -3.885533214e+00 2.76 -3.824731995e+00 -3.824731995e+00 2.78 -3.759870765e+00 -3.759870765e+00 2.80 -3.691280318e+00 -3.691280318e+00 2.82 -3.619323195e+00 -3.619323195e+00 2.84 -3.544387388e+00 -3.544387388e+00 2.86 -3.466880756e+00 -3.466880756e+00 2.88 -3.387224436e+00 -3.387224436e+00 2.90 -3.305843453e+00 -3.305843453e+00 2.92 -3.223153787e+00 -3.223153787e+00 2.94 -3.139546772e+00 -3.139546772e+00 2.96 -3.055373201e+00 -3.055373201e+00 2.98 -2.970930210e+00 -2.970930210e+00 3.00 -2.886453680e+00 -2.886453680e+00 3.02 -2.802117617e+00 -2.802117617e+00 3.04 -2.718040370e+00 -2.718040370e+00 3.06 -2.634296203e+00 -2.634296203e+00 3.08 -2.550930061e+00 -2.550930061e+00 3.10 -2.467973368e+00 -2.467973368e+00 3.12 -2.385459164e+00 -2.385459164e+00 3.14 -2.303435402e+00 -2.303435402e+00 3.16 -2.221975686e+00 -2.221975686e+00 3.18 -2.141186967e+00 -2.141186967e+00 3.20 -2.061213788e+00 -2.061213788e+00 3.22 -1.982238767e+00 -1.982238767e+00 3.24 -1.904479104e+00 -1.904479104e+00 3.26 -1.828179150e+00 -1.828179150e+00 3.28 -1.753599478e+00 -1.753599478e+00 3.30 -1.681003352e+00 -1.681003352e+00 3.32 -1.610641934e+00 -1.610641934e+00 3.34 -1.542739845e+00 -1.542739845e+00 3.36 -1.477482671e+00 -1.477482671e+00 3.38 -1.415007784e+00 -1.415007784e+00 3.40 -1.355399264e+00 -1.355399264e+00 3.42 -1.298687119e+00 -1.298687119e+00 3.44 -1.244850394e+00 -1.244850394e+00 3.46 -1.193823303e+00 -1.193823303e+00 3.48 -1.145503304e+00 -1.145503304e+00 3.50 -1.099760016e+00 -1.099760016e+00 3.52 -1.056444039e+00 -1.056444039e+00 3.54 -1.015394984e+00 -1.015394984e+00 3.56 -9.764482783e-01 -9.764482783e-01 3.58 -9.394405984e-01 -9.394405984e-01 3.60 -9.042139252e-01 -9.042139252e-01 3.62 -8.706183820e-01 -8.706183820e-01 3.64 -8.385140682e-01 -8.385140682e-01 3.66 -8.077721251e-01 -8.077721251e-01 3.68 -7.782752637e-01 -7.782752637e-01 3.70 -7.499179456e-01 -7.499179456e-01 3.72 -7.226063662e-01 -7.226063662e-01 3.74 -6.962583297e-01 -6.962583297e-01 3.76 -6.708030524e-01 -6.708030524e-01 3.78 -6.461808718e-01 -6.461808718e-01 3.80 -6.223427976e-01 -6.223427976e-01 3.82 -5.992498090e-01 -5.992498090e-01 3.84 -5.768718145e-01 -5.768718145e-01 3.86 -5.551862247e-01 -5.551862247e-01 3.88 -5.341761704e-01 -5.341761704e-01 3.90 -5.138284871e-01 -5.138284871e-01 3.92 -4.941316762e-01 -4.941316762e-01 3.94 -4.750740971e-01 -4.750740971e-01 3.96 -4.566426132e-01 -4.566426132e-01 3.98 -4.388218702e-01 -4.388218702e-01 4.00 -4.215942245e-01 -4.215942245e-01 4.02 -4.049402279e-01 -4.049402279e-01 4.04 -3.888394412e-01 -3.888394412e-01 4.06 -3.732713676e-01 -3.732713676e-01 4.08 -3.582161215e-01 -3.582161215e-01 4.10 -3.436552196e-01 -3.436552196e-01 4.12 -3.295715620e-01 -3.295715620e-01 4.14 -3.159489523e-01 -3.159489523e-01 4.16 -3.027714972e-01 -3.027714972e-01 4.18 -2.900228405e-01 -2.900228405e-01 4.20 -2.776854267e-01 -2.776854267e-01 4.22 -2.657399709e-01 -2.657399709e-01 4.24 -2.541652651e-01 -2.541652651e-01 4.26 -2.429383863e-01 -2.429383863e-01 4.28 -2.320353003e-01 -2.320353003e-01 4.30 -2.214317958e-01 -2.214317958e-01 4.32 -2.111046132e-01 -2.111046132e-01 4.34 -2.010324798e-01 -2.010324798e-01 4.36 -1.911978786e-01 -1.911978786e-01 4.38 -1.815876538e-01 -1.815876538e-01 4.40 -1.721935617e-01 -1.721935617e-01 4.42 -1.630125570e-01 -1.630125570e-01 4.44 -1.540466042e-01 -1.540466042e-01 4.46 -1.453020204e-01 -1.453020204e-01 4.48 -1.367884134e-01 -1.367884134e-01 4.50 -1.285173376e-01 -1.285173376e-01 4.52 -1.205008375e-01 -1.205008375e-01 4.54 -1.127500701e-01 -1.127500701e-01 4.56 -1.052741886e-01 -1.052741886e-01 4.58 -9.807962406e-02 -9.807962406e-02 4.60 -9.116983522e-02 -9.116983522e-02 4.62 -8.454551574e-02 -8.454551574e-02 4.64 -7.820517627e-02 -7.820517627e-02 4.66 -7.214596440e-02 -7.214596440e-02 4.68 -6.636456112e-02 -6.636456112e-02 4.70 -6.085799585e-02 -6.085799585e-02 4.72 -5.562425073e-02 -5.562425073e-02 4.74 -5.066257046e-02 -5.066257046e-02 4.76 -4.597344723e-02 -4.597344723e-02 4.78 -4.155830333e-02 -4.155830333e-02 4.80 -3.741893767e-02 -3.741893767e-02 4.82 -3.355683369e-02 -3.355683369e-02 4.84 -2.997243655e-02 -2.997243655e-02 4.86 -2.666449912e-02 -2.666449912e-02 4.88 -2.362958589e-02 -2.362958589e-02 4.90 -2.086178425e-02 -2.086178425e-02 4.92 -1.835263587e-02 -1.835263587e-02 4.94 -1.609119537e-02 -1.609119537e-02 4.96 -1.406385150e-02 -1.406385150e-02 4.98 -1.225631558e-02 -1.225631558e-02 5.00 -1.065316164e-02 -1.065316164e-02 5.02 -9.238098466e-03 -9.238098466e-03 5.04 -7.994508249e-03 -7.994508249e-03 5.06 -6.905908988e-03 -6.905908988e-03 5.08 -5.956327631e-03 -5.956327631e-03 5.10 -5.130581657e-03 -5.130581657e-03 5.12 -4.414474508e-03 -4.414474508e-03 5.14 -3.794915237e-03 -3.794915237e-03 5.16 -3.259975085e-03 -3.259975085e-03 5.18 -2.798894291e-03 -2.798894291e-03 5.20 -2.402051672e-03 -2.402051672e-03 5.22 -2.060908033e-03 -2.060908033e-03 5.24 -1.767932683e-03 -1.767932683e-03 5.26 -1.516520428e-03 -1.516520428e-03 5.28 -1.300904693e-03 -1.300904693e-03 5.30 -1.116070906e-03 -1.116070906e-03 5.32 -9.576730174e-04 -9.576730174e-04 5.34 -8.219550066e-04 -8.219550066e-04 5.36 -7.056784685e-04 -7.056784685e-04 5.38 -6.060567998e-04 -6.060567998e-04 5.40 -5.206960824e-04 -5.206960824e-04 5.42 -4.475424951e-04 -4.475424951e-04 5.44 -3.848358959e-04 -3.848358959e-04 5.46 -3.310691145e-04 -3.310691145e-04 5.48 -2.849524443e-04 -2.849524443e-04 5.50 -2.453828033e-04 -2.453828033e-04 5.52 -2.114170509e-04 -2.114170509e-04 5.54 -1.822489689e-04 -1.822489689e-04 5.56 -1.571894535e-04 -1.571894535e-04 5.58 -1.356495064e-04 -1.356495064e-04 5.60 -1.171256534e-04 -1.171256534e-04 5.62 -1.011874616e-04 -1.011874616e-04 5.64 -8.746686484e-05 -8.746686484e-05 5.66 -7.564904380e-05 -7.564904380e-05 5.68 -6.546463855e-05 -6.546463855e-05 5.70 -5.668310330e-05 -5.668310330e-05 5.72 -4.910703702e-05 -4.910703702e-05 5.74 -4.256734815e-05 -4.256734815e-05 5.76 -3.691913080e-05 -3.691913080e-05 5.78 -3.203814804e-05 -3.203814804e-05 5.80 -2.781783261e-05 -2.781783261e-05 5.82 -2.416672864e-05 -2.416672864e-05 5.84 -2.100630897e-05 -2.100630897e-05 5.86 -1.826911258e-05 -1.826911258e-05 5.88 -1.589715464e-05 -1.589715464e-05 5.90 -1.384056885e-05 -1.384056885e-05 5.92 -1.205644766e-05 -1.205644766e-05 5.94 -1.050785118e-05 -1.050785118e-05 5.96 -9.162959856e-06 -9.162959856e-06 5.98 -7.994349729e-06 -7.994349729e-06 6.00 -6.978372271e-06 -6.978372271e-06