# 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 = Mo2NiW # 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 2.854064773e+02 2.854064773e+02 1.30 2.632503603e+02 2.632503603e+02 1.32 2.428377831e+02 2.428377831e+02 1.34 2.240113053e+02 2.240113053e+02 1.36 2.066228895e+02 2.066228895e+02 1.38 1.905365533e+02 1.905365533e+02 1.40 1.756313701e+02 1.756313701e+02 1.42 1.618032483e+02 1.618032483e+02 1.44 1.489643610e+02 1.489643610e+02 1.46 1.370404145e+02 1.370404145e+02 1.48 1.259671337e+02 1.259671337e+02 1.50 1.156873925e+02 1.156873925e+02 1.52 1.061495821e+02 1.061495821e+02 1.54 9.730687825e+01 9.730687825e+01 1.56 8.911667793e+01 8.911667793e+01 1.58 8.153976036e+01 8.153976036e+01 1.60 7.453925581e+01 7.453925581e+01 1.62 6.807970823e+01 6.807970823e+01 1.64 6.212638893e+01 6.212638893e+01 1.66 5.664486916e+01 5.664486916e+01 1.68 5.160083864e+01 5.160083864e+01 1.70 4.696015839e+01 4.696015839e+01 1.72 4.268910560e+01 4.268910560e+01 1.74 3.875476278e+01 3.875476278e+01 1.76 3.512553043e+01 3.512553043e+01 1.78 3.177174393e+01 3.177174393e+01 1.80 2.866633701e+01 2.866633701e+01 1.82 2.578596938e+01 2.578596938e+01 1.84 2.311104729e+01 2.311104729e+01 1.86 2.062921149e+01 2.062921149e+01 1.88 1.832768306e+01 1.832768306e+01 1.90 1.619490324e+01 1.619490324e+01 1.92 1.422116306e+01 1.422116306e+01 1.94 1.239785600e+01 1.239785600e+01 1.96 1.071689598e+01 1.071689598e+01 1.98 9.170345042e+00 9.170345042e+00 2.00 7.750220520e+00 7.750220520e+00 2.02 6.448419072e+00 6.448419072e+00 2.04 5.256705227e+00 5.256705227e+00 2.06 4.166741788e+00 4.166741788e+00 2.08 3.170163728e+00 3.170163728e+00 2.10 2.258704376e+00 2.258704376e+00 2.12 1.424372000e+00 1.424372000e+00 2.14 6.596542952e-01 6.596542952e-01 2.16 -4.228979383e-02 -4.228979383e-02 2.18 -6.874951218e-01 -6.874951218e-01 2.20 -1.281141684e+00 -1.281141684e+00 2.22 -1.827595414e+00 -1.827595414e+00 2.24 -2.330517001e+00 -2.330517001e+00 2.26 -2.793005270e+00 -2.793005270e+00 2.28 -3.217743885e+00 -3.217743885e+00 2.30 -3.607130153e+00 -3.607130153e+00 2.32 -3.963374113e+00 -3.963374113e+00 2.34 -4.288562007e+00 -4.288562007e+00 2.36 -4.584683673e+00 -4.584683673e+00 2.38 -4.853630983e+00 -4.853630983e+00 2.40 -5.097181613e+00 -5.097181613e+00 2.42 -5.316983592e+00 -5.316983592e+00 2.44 -5.514523346e+00 -5.514523346e+00 2.46 -5.691133550e+00 -5.691133550e+00 2.48 -5.848141448e+00 -5.848141448e+00 2.50 -5.986762325e+00 -5.986762325e+00 2.52 -6.108101874e+00 -6.108101874e+00 2.54 -6.213164134e+00 -6.213164134e+00 2.56 -6.302858437e+00 -6.302858437e+00 2.58 -6.378007439e+00 -6.378007439e+00 2.60 -6.439357701e+00 -6.439357701e+00 2.62 -6.487525654e+00 -6.487525654e+00 2.64 -6.522698241e+00 -6.522698241e+00 2.66 -6.545440221e+00 -6.545440221e+00 2.68 -6.556434679e+00 -6.556434679e+00 2.70 -6.556368534e+00 -6.556368534e+00 2.72 -6.545940415e+00 -6.545940415e+00 2.74 -6.525862372e+00 -6.525862372e+00 2.76 -6.496855472e+00 -6.496855472e+00 2.78 -6.459614526e+00 -6.459614526e+00 2.80 -6.414447444e+00 -6.414447444e+00 2.82 -6.361404114e+00 -6.361404114e+00 2.84 -6.300590354e+00 -6.300590354e+00 2.86 -6.232171245e+00 -6.232171245e+00 2.88 -6.156368248e+00 -6.156368248e+00 2.90 -6.073335363e+00 -6.073335363e+00 2.92 -5.983154668e+00 -5.983154668e+00 2.94 -5.886012679e+00 -5.886012679e+00 2.96 -5.782206145e+00 -5.782206145e+00 2.98 -5.672129344e+00 -5.672129344e+00 3.00 -5.556253554e+00 -5.556253554e+00 3.02 -5.435099320e+00 -5.435099320e+00 3.04 -5.309203938e+00 -5.309203938e+00 3.06 -5.179087800e+00 -5.179087800e+00 3.08 -5.045223778e+00 -5.045223778e+00 3.10 -4.908013384e+00 -4.908013384e+00 3.12 -4.767772267e+00 -4.767772267e+00 3.14 -4.624726092e+00 -4.624726092e+00 3.16 -4.479016406e+00 -4.479016406e+00 3.18 -4.330715055e+00 -4.330715055e+00 3.20 -4.179845168e+00 -4.179845168e+00 3.22 -4.026406664e+00 -4.026406664e+00 3.24 -3.870404433e+00 -3.870404433e+00 3.26 -3.711877564e+00 -3.711877564e+00 3.28 -3.550928182e+00 -3.550928182e+00 3.30 -3.387748396e+00 -3.387748396e+00 3.32 -3.222643717e+00 -3.222643717e+00 3.34 -3.056051017e+00 -3.056051017e+00 3.36 -2.888548969e+00 -2.888548969e+00 3.38 -2.720858966e+00 -2.720858966e+00 3.40 -2.553834951e+00 -2.553834951e+00 3.42 -2.388441479e+00 -2.388441479e+00 3.44 -2.225720559e+00 -2.225720559e+00 3.46 -2.066749263e+00 -2.066749263e+00 3.48 -1.912591484e+00 -1.912591484e+00 3.50 -1.764248221e+00 -1.764248221e+00 3.52 -1.622611129e+00 -1.622611129e+00 3.54 -1.488423768e+00 -1.488423768e+00 3.56 -1.362253879e+00 -1.362253879e+00 3.58 -1.244478570e+00 -1.244478570e+00 3.60 -1.135282603e+00 -1.135282603e+00 3.62 -1.034668500e+00 -1.034668500e+00 3.64 -9.424760723e-01 -9.424760723e-01 3.66 -8.584084335e-01 -8.584084335e-01 3.68 -7.820614283e-01 -7.820614283e-01 3.70 -7.129537629e-01 -7.129537629e-01 3.72 -6.505556463e-01 -6.505556463e-01 3.74 -5.943144060e-01 -5.943144060e-01 3.76 -5.436761467e-01 -5.436761467e-01 3.78 -4.981030270e-01 -4.981030270e-01 3.80 -4.570861031e-01 -4.570861031e-01 3.82 -4.201539453e-01 -4.201539453e-01 3.84 -3.868774036e-01 -3.868774036e-01 3.86 -3.568710265e-01 -3.568710265e-01 3.88 -3.297917427e-01 -3.297917427e-01 3.90 -3.053355118e-01 -3.053355118e-01 3.92 -2.832327091e-01 -2.832327091e-01 3.94 -2.632430065e-01 -2.632430065e-01 3.96 -2.451504202e-01 -2.451504202e-01 3.98 -2.287590239e-01 -2.287590239e-01 4.00 -2.138895949e-01 -2.138895949e-01 4.02 -2.003772486e-01 -2.003772486e-01 4.04 -1.880699258e-01 -1.880699258e-01 4.06 -1.768274220e-01 -1.768274220e-01 4.08 -1.665208995e-01 -1.665208995e-01 4.10 -1.570329315e-01 -1.570329315e-01 4.12 -1.482567509e-01 -1.482567509e-01 4.14 -1.400958317e-01 -1.400958317e-01 4.16 -1.324632512e-01 -1.324632512e-01 4.18 -1.252818209e-01 -1.252818209e-01 4.20 -1.184830390e-01 -1.184830390e-01 4.22 -1.120065020e-01 -1.120065020e-01 4.24 -1.057995054e-01 -1.057995054e-01 4.26 -9.981673036e-02 -9.981673036e-02 4.28 -9.402004738e-02 -9.402004738e-02 4.30 -8.837843972e-02 -8.837843972e-02 4.32 -8.286802503e-02 -8.286802503e-02 4.34 -7.747212926e-02 -7.747212926e-02 4.36 -7.218134328e-02 -7.218134328e-02 4.38 -6.699347494e-02 -6.699347494e-02 4.40 -6.191330151e-02 -6.191330151e-02 4.42 -5.695203375e-02 -5.695203375e-02 4.44 -5.212642848e-02 -5.212642848e-02 4.46 -4.745752847e-02 -4.745752847e-02 4.48 -4.296908055e-02 -4.296908055e-02 4.50 -3.868571325e-02 -3.868571325e-02 4.52 -3.463104097e-02 -3.463104097e-02 4.54 -3.082588006e-02 -3.082588006e-02 4.56 -2.728673832e-02 -2.728673832e-02 4.58 -2.402476129e-02 -2.402476129e-02 4.60 -2.104517972e-02 -2.104517972e-02 4.62 -1.834726773e-02 -1.834726773e-02 4.64 -1.592453091e-02 -1.592453091e-02 4.66 -1.376564014e-02 -1.376564014e-02 4.68 -1.185611766e-02 -1.185611766e-02 4.70 -1.017858619e-02 -1.017858619e-02 4.72 -8.713837343e-03 -8.713837343e-03 4.74 -7.441815827e-03 -7.441815827e-03 4.76 -6.342437368e-03 -6.342437368e-03 4.78 -5.396223042e-03 -5.396223042e-03 4.80 -4.584754963e-03 -4.584754963e-03 4.82 -3.890972847e-03 -3.890972847e-03 4.84 -3.299337711e-03 -3.299337711e-03 4.86 -2.795891932e-03 -2.795891932e-03 4.88 -2.368242411e-03 -2.368242411e-03 4.90 -2.005490680e-03 -2.005490680e-03 4.92 -1.698129332e-03 -1.698129332e-03 4.94 -1.437919837e-03 -1.437919837e-03 4.96 -1.217762900e-03 -1.217762900e-03 4.98 -1.031569177e-03 -1.031569177e-03 5.00 -8.741355603e-04 -8.741355603e-04 5.02 -7.410301604e-04 -7.410301604e-04 5.04 -6.284876778e-04 -6.284876778e-04 5.06 -5.333157730e-04 -5.333157730e-04 5.08 -4.528123538e-04 -4.528123538e-04 5.10 -3.846932501e-04 -3.846932501e-04 5.12 -3.270294850e-04 -3.270294850e-04 5.14 -2.781932268e-04 -2.781932268e-04 5.16 -2.368114684e-04 -2.368114684e-04 5.18 -2.017265000e-04 -2.017265000e-04 5.20 -1.719622957e-04 -1.719622957e-04 5.22 -1.466960114e-04 -1.466960114e-04 5.24 -1.252338689e-04 -1.252338689e-04 5.26 -1.069907906e-04 -1.069907906e-04 5.28 -9.147322239e-05 -9.147322239e-05 5.30 -7.826466431e-05 -7.826466431e-05 5.32 -6.701348943e-05 -6.701348943e-05 5.34 -5.742269625e-05 -5.742269625e-05 5.36 -4.924129042e-05 -4.924129042e-05 5.38 -4.225703822e-05 -4.225703822e-05 5.40 -3.629037385e-05 -3.629037385e-05 5.42 -3.118927648e-05 -3.118927648e-05 5.44 -2.682496202e-05 -2.682496202e-05 5.46 -2.308825911e-05 -2.308825911e-05 5.48 -1.988655962e-05 -1.988655962e-05 5.50 -1.714125166e-05 -1.714125166e-05 5.52 -1.478555767e-05 -1.478555767e-05 5.54 -1.276271291e-05 -1.276271291e-05 5.56 -1.102442979e-05 -1.102442979e-05 5.58 -9.529602612e-06 -9.529602612e-06 5.60 -8.243214292e-06 -8.243214292e-06 5.62 -7.135413095e-06 -7.135413095e-06 5.64 -6.180732425e-06 -6.180732425e-06 5.66 -5.357431069e-06 -5.357431069e-06 5.68 -4.646934933e-06 -4.646934933e-06 5.70 -4.033364342e-06 -4.033364342e-06 5.72 -3.503133512e-06 -3.503133512e-06 5.74 -3.044610950e-06 -3.044610950e-06 5.76 -2.647831303e-06 -2.647831303e-06 5.78 -2.304250697e-06 -2.304250697e-06 5.80 -2.006538866e-06 -2.006538866e-06 5.82 -1.748402398e-06 -1.748402398e-06 5.84 -1.524434348e-06 -1.524434348e-06 5.86 -1.329986193e-06 -1.329986193e-06 5.88 -1.161058732e-06 -1.161058732e-06 5.90 -1.014209057e-06 -1.014209057e-06 5.92 -8.864711890e-07 -8.864711890e-07 5.94 -7.752883064e-07 -7.752883064e-07 5.96 -6.784548471e-07 -6.784548471e-07 5.98 -5.940670031e-07 -5.940670031e-07 6.00 -5.204803664e-07 -5.204803664e-07