# 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 = Co2FeMg # 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 2.186146702e+02 2.186146702e+02 1.30 2.006711929e+02 2.006711929e+02 1.32 1.841871227e+02 1.841871227e+02 1.34 1.690353476e+02 1.690353476e+02 1.36 1.551018142e+02 1.551018142e+02 1.38 1.422846478e+02 1.422846478e+02 1.40 1.304923984e+02 1.304923984e+02 1.42 1.196420759e+02 1.196420759e+02 1.44 1.096574125e+02 1.096574125e+02 1.46 1.004678973e+02 1.004678973e+02 1.48 9.200878547e+01 9.200878547e+01 1.50 8.422136494e+01 8.422136494e+01 1.52 7.705258107e+01 7.705258107e+01 1.54 7.045407054e+01 7.045407054e+01 1.56 6.438129370e+01 6.438129370e+01 1.58 5.879304620e+01 5.879304620e+01 1.60 5.365115918e+01 5.365115918e+01 1.62 4.892159854e+01 4.892159854e+01 1.64 4.457170310e+01 4.457170310e+01 1.66 4.057052312e+01 4.057052312e+01 1.68 3.688935290e+01 3.688935290e+01 1.70 3.350187483e+01 3.350187483e+01 1.72 3.038418976e+01 3.038418976e+01 1.74 2.751462432e+01 2.751462432e+01 1.76 2.487345523e+01 2.487345523e+01 1.78 2.244271852e+01 2.244271852e+01 1.80 2.020610693e+01 2.020610693e+01 1.82 1.814885596e+01 1.814885596e+01 1.84 1.625755285e+01 1.625755285e+01 1.86 1.451990674e+01 1.451990674e+01 1.88 1.292452735e+01 1.292452735e+01 1.90 1.146074090e+01 1.146074090e+01 1.92 1.011845057e+01 1.011845057e+01 1.94 8.888057367e+00 8.888057367e+00 1.96 7.760451921e+00 7.760451921e+00 1.98 6.727068798e+00 6.727068798e+00 2.00 5.779969698e+00 5.779969698e+00 2.02 4.911913135e+00 4.911913135e+00 2.04 4.116375206e+00 4.116375206e+00 2.06 3.387509243e+00 3.387509243e+00 2.08 2.720063173e+00 2.720063173e+00 2.10 2.109286524e+00 2.109286524e+00 2.12 1.550848132e+00 1.550848132e+00 2.14 1.040772632e+00 1.040772632e+00 2.16 5.753969022e-01 5.753969022e-01 2.18 1.513411511e-01 1.513411511e-01 2.20 -2.345107012e-01 -2.345107012e-01 2.22 -5.850306612e-01 -5.850306612e-01 2.24 -9.028675479e-01 -9.028675479e-01 2.26 -1.190468550e+00 -1.190468550e+00 2.28 -1.450099681e+00 -1.450099681e+00 2.30 -1.683861279e+00 -1.683861279e+00 2.32 -1.893703410e+00 -1.893703410e+00 2.34 -2.081441923e+00 -2.081441923e+00 2.36 -2.248857502e+00 -2.248857502e+00 2.38 -2.397436392e+00 -2.397436392e+00 2.40 -2.528512786e+00 -2.528512786e+00 2.42 -2.643352096e+00 -2.643352096e+00 2.44 -2.743156662e+00 -2.743156662e+00 2.46 -2.829073719e+00 -2.829073719e+00 2.48 -2.902201955e+00 -2.902201955e+00 2.50 -2.963547882e+00 -2.963547882e+00 2.52 -3.013937657e+00 -3.013937657e+00 2.54 -3.054174546e+00 -3.054174546e+00 2.56 -3.085075992e+00 -3.085075992e+00 2.58 -3.107462883e+00 -3.107462883e+00 2.60 -3.122141935e+00 -3.122141935e+00 2.62 -3.129880943e+00 -3.129880943e+00 2.64 -3.131382573e+00 -3.131382573e+00 2.66 -3.127200075e+00 -3.127200075e+00 2.68 -3.117707126e+00 -3.117707126e+00 2.70 -3.103229290e+00 -3.103229290e+00 2.72 -3.084064810e+00 -3.084064810e+00 2.74 -3.060494235e+00 -3.060494235e+00 2.76 -3.032788749e+00 -3.032788749e+00 2.78 -3.001215432e+00 -3.001215432e+00 2.80 -2.966040206e+00 -2.966040206e+00 2.82 -2.927527395e+00 -2.927527395e+00 2.84 -2.885939408e+00 -2.885939408e+00 2.86 -2.841535119e+00 -2.841535119e+00 2.88 -2.794568354e+00 -2.794568354e+00 2.90 -2.745286847e+00 -2.745286847e+00 2.92 -2.693932110e+00 -2.693932110e+00 2.94 -2.640741663e+00 -2.640741663e+00 2.96 -2.585974777e+00 -2.585974777e+00 2.98 -2.529844484e+00 -2.529844484e+00 3.00 -2.472556289e+00 -2.472556289e+00 3.02 -2.414328969e+00 -2.414328969e+00 3.04 -2.355388012e+00 -2.355388012e+00 3.06 -2.295957309e+00 -2.295957309e+00 3.08 -2.236246058e+00 -2.236246058e+00 3.10 -2.176415500e+00 -2.176415500e+00 3.12 -2.116585592e+00 -2.116585592e+00 3.14 -2.056865891e+00 -2.056865891e+00 3.16 -1.997357333e+00 -1.997357333e+00 3.18 -1.938158996e+00 -1.938158996e+00 3.20 -1.879374538e+00 -1.879374538e+00 3.22 -1.821117624e+00 -1.821117624e+00 3.24 -1.763514673e+00 -1.763514673e+00 3.26 -1.706704422e+00 -1.706704422e+00 3.28 -1.650834393e+00 -1.650834393e+00 3.30 -1.596054906e+00 -1.596054906e+00 3.32 -1.542511536e+00 -1.542511536e+00 3.34 -1.490337185e+00 -1.490337185e+00 3.36 -1.439644950e+00 -1.439644950e+00 3.38 -1.390522751e+00 -1.390522751e+00 3.40 -1.343030313e+00 -1.343030313e+00 3.42 -1.297198903e+00 -1.297198903e+00 3.44 -1.253032745e+00 -1.253032745e+00 3.46 -1.210512643e+00 -1.210512643e+00 3.48 -1.169600238e+00 -1.169600238e+00 3.50 -1.130242661e+00 -1.130242661e+00 3.52 -1.092376996e+00 -1.092376996e+00 3.54 -1.055934245e+00 -1.055934245e+00 3.56 -1.020842616e+00 -1.020842616e+00 3.58 -9.870300953e-01 -9.870300953e-01 3.60 -9.544263410e-01 -9.544263410e-01 3.62 -9.229639959e-01 -9.229639959e-01 3.64 -8.925795298e-01 -8.925795298e-01 3.66 -8.632137281e-01 -8.632137281e-01 3.68 -8.348119281e-01 -8.348119281e-01 3.70 -8.073240855e-01 -8.073240855e-01 3.72 -7.807047297e-01 -7.807047297e-01 3.74 -7.549128437e-01 -7.549128437e-01 3.76 -7.299116863e-01 -7.299116863e-01 3.78 -7.056685575e-01 -7.056685575e-01 3.80 -6.821544977e-01 -6.821544977e-01 3.82 -6.593439084e-01 -6.593439084e-01 3.84 -6.372140836e-01 -6.372140836e-01 3.86 -6.157446530e-01 -6.157446530e-01 3.88 -5.949169565e-01 -5.949169565e-01 3.90 -5.747133902e-01 -5.747133902e-01 3.92 -5.551166615e-01 -5.551166615e-01 3.94 -5.361097547e-01 -5.361097547e-01 3.96 -5.176747476e-01 -5.176747476e-01 3.98 -4.997931578e-01 -4.997931578e-01 4.00 -4.824457564e-01 -4.824457564e-01 4.02 -4.656126934e-01 -4.656126934e-01 4.04 -4.492737519e-01 -4.492737519e-01 4.06 -4.334087008e-01 -4.334087008e-01 4.08 -4.179977174e-01 -4.179977174e-01 4.10 -4.030215967e-01 -4.030215967e-01 4.12 -3.884634038e-01 -3.884634038e-01 4.14 -3.743072277e-01 -3.743072277e-01 4.16 -3.605399973e-01 -3.605399973e-01 4.18 -3.471516483e-01 -3.471516483e-01 4.20 -3.341355211e-01 -3.341355211e-01 4.22 -3.214885713e-01 -3.214885713e-01 4.24 -3.092113051e-01 -3.092113051e-01 4.26 -2.973073724e-01 -2.973073724e-01 4.28 -2.857827890e-01 -2.857827890e-01 4.30 -2.746448225e-01 -2.746448225e-01 4.32 -2.639006493e-01 -2.639006493e-01 4.34 -2.535559483e-01 -2.535559483e-01 4.36 -2.436136248e-01 -2.436136248e-01 4.38 -2.340728405e-01 -2.340728405e-01 4.40 -2.249284677e-01 -2.249284677e-01 4.42 -2.161710017e-01 -2.161710017e-01 4.44 -2.077868844e-01 -2.077868844e-01 4.46 -1.997591312e-01 -1.997591312e-01 4.48 -1.920681282e-01 -1.920681282e-01 4.50 -1.846924709e-01 -1.846924709e-01 4.52 -1.776097451e-01 -1.776097451e-01 4.54 -1.707971872e-01 -1.707971872e-01 4.56 -1.642321977e-01 -1.642321977e-01 4.58 -1.578927121e-01 -1.578927121e-01 4.60 -1.517574504e-01 -1.517574504e-01 4.62 -1.458060782e-01 -1.458060782e-01 4.64 -1.400193137e-01 -1.400193137e-01 4.66 -1.343790153e-01 -1.343790153e-01 4.68 -1.288682787e-01 -1.288682787e-01 4.70 -1.234715669e-01 -1.234715669e-01 4.72 -1.181748913e-01 -1.181748913e-01 4.74 -1.129660531e-01 -1.129660531e-01 4.76 -1.078349458e-01 -1.078349458e-01 4.78 -1.027739090e-01 -1.027739090e-01 4.80 -9.777791240e-02 -9.777791240e-02 4.82 -9.284576318e-02 -9.284576318e-02 4.84 -8.797912197e-02 -8.797912197e-02 4.86 -8.318362381e-02 -8.318362381e-02 4.88 -7.846866454e-02 -7.846866454e-02 4.90 -7.384719251e-02 -7.384719251e-02 4.92 -6.933522407e-02 -6.933522407e-02 4.94 -6.495107374e-02 -6.495107374e-02 4.96 -6.071433460e-02 -6.071433460e-02 4.98 -5.664466872e-02 -5.664466872e-02 5.00 -5.276053571e-02 -5.276053571e-02 5.02 -4.907799465e-02 -4.907799465e-02 5.04 -4.560969296e-02 -4.560969296e-02 5.06 -4.236414931e-02 -4.236414931e-02 5.08 -3.934489336e-02 -3.934489336e-02 5.10 -3.655113531e-02 -3.655113531e-02 5.12 -3.397886553e-02 -3.397886553e-02 5.14 -3.162023716e-02 -3.162023716e-02 5.16 -2.946434651e-02 -2.946434651e-02 5.18 -2.749791476e-02 -2.749791476e-02 5.20 -2.570643018e-02 -2.570643018e-02 5.22 -2.407487512e-02 -2.407487512e-02 5.24 -2.258815415e-02 -2.258815415e-02 5.26 -2.123159341e-02 -2.123159341e-02 5.28 -1.999130525e-02 -1.999130525e-02 5.30 -1.885443235e-02 -1.885443235e-02 5.32 -1.780929060e-02 -1.780929060e-02 5.34 -1.684543051e-02 -1.684543051e-02 5.36 -1.595361616e-02 -1.595361616e-02 5.38 -1.512581517e-02 -1.512581517e-02 5.40 -1.435512090e-02 -1.435512090e-02 5.42 -1.363563849e-02 -1.363563849e-02 5.44 -1.296237236e-02 -1.296237236e-02 5.46 -1.233110692e-02 -1.233110692e-02 5.48 -1.173828595e-02 -1.173828595e-02 5.50 -1.118089532e-02 -1.118089532e-02 5.52 -1.065635317e-02 -1.065635317e-02 5.54 -1.016241117e-02 -1.016241117e-02 5.56 -9.697069550e-03 -9.697069550e-03 5.58 -9.258507617e-03 -9.258507617e-03 5.60 -8.845030238e-03 -8.845030238e-03 5.62 -8.455029755e-03 -8.455029755e-03 5.64 -8.086961588e-03 -8.086961588e-03 5.66 -7.739331162e-03 -7.739331162e-03 5.68 -7.410689408e-03 -7.410689408e-03 5.70 -7.099634059e-03 -7.099634059e-03 5.72 -6.804814258e-03 -6.804814258e-03 5.74 -6.524936442e-03 -6.524936442e-03 5.76 -6.258770040e-03 -6.258770040e-03 5.78 -6.005152027e-03 -6.005152027e-03 5.80 -5.762989872e-03 -5.762989872e-03 5.82 -5.531262771e-03 -5.531262771e-03 5.84 -5.309021305e-03 -5.309021305e-03 5.86 -5.095385830e-03 -5.095385830e-03 5.88 -4.889543970e-03 -4.889543970e-03 5.90 -4.690747617e-03 -4.690747617e-03 5.92 -4.498309787e-03 -4.498309787e-03 5.94 -4.311601687e-03 -4.311601687e-03 5.96 -4.130050227e-03 -4.130050227e-03 5.98 -3.953136205e-03 -3.953136205e-03 6.00 -3.780393301e-03 -3.780393301e-03