# 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 = FeNiTa2 # 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 2.513657689e+02 2.513657689e+02 1.30 2.313617479e+02 2.313617479e+02 1.32 2.129105304e+02 2.129105304e+02 1.34 1.958780032e+02 1.958780032e+02 1.36 1.801469916e+02 1.801469916e+02 1.38 1.656147490e+02 1.656147490e+02 1.40 1.521901217e+02 1.521901217e+02 1.42 1.397911302e+02 1.397911302e+02 1.44 1.283427754e+02 1.283427754e+02 1.46 1.177749568e+02 1.177749568e+02 1.48 1.080207934e+02 1.080207934e+02 1.50 9.901572950e+01 9.901572950e+01 1.52 9.069762227e+01 9.069762227e+01 1.54 8.300768960e+01 8.300768960e+01 1.56 7.589181704e+01 7.589181704e+01 1.58 6.930155806e+01 6.930155806e+01 1.60 6.319440876e+01 6.319440876e+01 1.62 5.753337323e+01 5.753337323e+01 1.64 5.228609165e+01 5.228609165e+01 1.66 4.742381795e+01 4.742381795e+01 1.68 4.292046365e+01 4.292046365e+01 1.70 3.875184014e+01 3.875184014e+01 1.72 3.489515146e+01 3.489515146e+01 1.74 3.132874771e+01 3.132874771e+01 1.76 2.803211905e+01 2.803211905e+01 1.78 2.498604612e+01 2.498604612e+01 1.80 2.217278362e+01 2.217278362e+01 1.82 1.958240647e+01 1.958240647e+01 1.84 1.720430550e+01 1.720430550e+01 1.86 1.502380571e+01 1.502380571e+01 1.88 1.302712277e+01 1.302712277e+01 1.90 1.120096629e+01 1.120096629e+01 1.92 9.532433493e+00 9.532433493e+00 1.94 8.008787113e+00 8.008787113e+00 1.96 6.617430155e+00 6.617430155e+00 1.98 5.346051319e+00 5.346051319e+00 2.00 4.182894196e+00 4.182894196e+00 2.02 3.117091986e+00 3.117091986e+00 2.04 2.138982054e+00 2.138982054e+00 2.06 1.240310114e+00 1.240310114e+00 2.08 4.142653996e-01 4.142653996e-01 2.10 -3.446539923e-01 -3.446539923e-01 2.12 -1.040892519e+00 -1.040892519e+00 2.14 -1.678129570e+00 -1.678129570e+00 2.16 -2.259548797e+00 -2.259548797e+00 2.18 -2.788050160e+00 -2.788050160e+00 2.20 -3.266398731e+00 -3.266398731e+00 2.22 -3.697320752e+00 -3.697320752e+00 2.24 -4.083562452e+00 -4.083562452e+00 2.26 -4.427925333e+00 -4.427925333e+00 2.28 -4.733287062e+00 -4.733287062e+00 2.30 -5.002610804e+00 -5.002610804e+00 2.32 -5.238938466e+00 -5.238938466e+00 2.34 -5.445358315e+00 -5.445358315e+00 2.36 -5.624940012e+00 -5.624940012e+00 2.38 -5.780641680e+00 -5.780641680e+00 2.40 -5.915207946e+00 -5.915207946e+00 2.42 -6.031084966e+00 -6.031084966e+00 2.44 -6.130373018e+00 -6.130373018e+00 2.46 -6.214627182e+00 -6.214627182e+00 2.48 -6.285316346e+00 -6.285316346e+00 2.50 -6.343929778e+00 -6.343929778e+00 2.52 -6.391666110e+00 -6.391666110e+00 2.54 -6.429512030e+00 -6.429512030e+00 2.56 -6.458305698e+00 -6.458305698e+00 2.58 -6.478782542e+00 -6.478782542e+00 2.60 -6.491483463e+00 -6.491483463e+00 2.62 -6.496500094e+00 -6.496500094e+00 2.64 -6.493930881e+00 -6.493930881e+00 2.66 -6.483967780e+00 -6.483967780e+00 2.68 -6.466863230e+00 -6.466863230e+00 2.70 -6.442905025e+00 -6.442905025e+00 2.72 -6.412396665e+00 -6.412396665e+00 2.74 -6.375641308e+00 -6.375641308e+00 2.76 -6.332928523e+00 -6.332928523e+00 2.78 -6.284524074e+00 -6.284524074e+00 2.80 -6.230661542e+00 -6.230661542e+00 2.82 -6.171543857e+00 -6.171543857e+00 2.84 -6.107347255e+00 -6.107347255e+00 2.86 -6.038228837e+00 -6.038228837e+00 2.88 -5.964336119e+00 -5.964336119e+00 2.90 -5.885816204e+00 -5.885816204e+00 2.92 -5.802822306e+00 -5.802822306e+00 2.94 -5.715470961e+00 -5.715470961e+00 2.96 -5.623815787e+00 -5.623815787e+00 2.98 -5.527941568e+00 -5.527941568e+00 3.00 -5.427965202e+00 -5.427965202e+00 3.02 -5.324018450e+00 -5.324018450e+00 3.04 -5.216244746e+00 -5.216244746e+00 3.06 -5.104793750e+00 -5.104793750e+00 3.08 -4.989819604e+00 -4.989819604e+00 3.10 -4.871483909e+00 -4.871483909e+00 3.12 -4.749963403e+00 -4.749963403e+00 3.14 -4.625461856e+00 -4.625461856e+00 3.16 -4.498223743e+00 -4.498223743e+00 3.18 -4.368505215e+00 -4.368505215e+00 3.20 -4.236588143e+00 -4.236588143e+00 3.22 -4.102853994e+00 -4.102853994e+00 3.24 -3.967791468e+00 -3.967791468e+00 3.26 -3.831991537e+00 -3.831991537e+00 3.28 -3.696132408e+00 -3.696132408e+00 3.30 -3.560954036e+00 -3.560954036e+00 3.32 -3.427223488e+00 -3.427223488e+00 3.34 -3.295694109e+00 -3.295694109e+00 3.36 -3.167062797e+00 -3.167062797e+00 3.38 -3.041930241e+00 -3.041930241e+00 3.40 -2.920768657e+00 -2.920768657e+00 3.42 -2.803900380e+00 -2.803900380e+00 3.44 -2.691488943e+00 -2.691488943e+00 3.46 -2.583542455e+00 -2.583542455e+00 3.48 -2.479927522e+00 -2.479927522e+00 3.50 -2.380391016e+00 -2.380391016e+00 3.52 -2.284586603e+00 -2.284586603e+00 3.54 -2.192103166e+00 -2.192103166e+00 3.56 -2.102492821e+00 -2.102492821e+00 3.58 -2.015296918e+00 -2.015296918e+00 3.60 -1.930069130e+00 -1.930069130e+00 3.62 -1.846395275e+00 -1.846395275e+00 3.64 -1.763909936e+00 -1.763909936e+00 3.66 -1.682310057e+00 -1.682310057e+00 3.68 -1.601365766e+00 -1.601365766e+00 3.70 -1.520928520e+00 -1.520928520e+00 3.72 -1.440936488e+00 -1.440936488e+00 3.74 -1.361416880e+00 -1.361416880e+00 3.76 -1.282484817e+00 -1.282484817e+00 3.78 -1.204338262e+00 -1.204338262e+00 3.80 -1.127248714e+00 -1.127248714e+00 3.82 -1.051547602e+00 -1.051547602e+00 3.84 -9.776087727e-01 -9.776087727e-01 3.86 -9.058279308e-01 -9.058279308e-01 3.88 -8.366004013e-01 -8.366004013e-01 3.90 -7.702989078e-01 -7.702989078e-01 3.92 -7.072532213e-01 -7.072532213e-01 3.94 -6.477333975e-01 -6.477333975e-01 3.96 -5.919379128e-01 -5.919379128e-01 3.98 -5.399874094e-01 -5.399874094e-01 4.00 -4.919240652e-01 -4.919240652e-01 4.02 -4.477159682e-01 -4.477159682e-01 4.04 -4.072654110e-01 -4.072654110e-01 4.06 -3.704197777e-01 -3.704197777e-01 4.08 -3.369836890e-01 -3.369836890e-01 4.10 -3.067312397e-01 -3.067312397e-01 4.12 -2.794174391e-01 -2.794174391e-01 4.14 -2.547882668e-01 -2.547882668e-01 4.16 -2.325890537e-01 -2.325890537e-01 4.18 -2.125711197e-01 -2.125711197e-01 4.20 -1.944967693e-01 -1.944967693e-01 4.22 -1.781428477e-01 -1.781428477e-01 4.24 -1.633031057e-01 -1.633031057e-01 4.26 -1.497896303e-01 -1.497896303e-01 4.28 -1.374335741e-01 -1.374335741e-01 4.30 -1.260853796e-01 -1.260853796e-01 4.32 -1.156146416e-01 -1.156146416e-01 4.34 -1.059097020e-01 -1.059097020e-01 4.36 -9.687701791e-02 -9.687701791e-02 4.38 -8.844029455e-02 -8.844029455e-02 4.40 -8.053936196e-02 -8.053936196e-02 4.42 -7.312874773e-02 -7.312874773e-02 4.44 -6.617584279e-02 -6.617584279e-02 4.46 -5.965837173e-02 -5.965837173e-02 4.48 -5.356340224e-02 -5.356340224e-02 4.50 -4.788389893e-02 -4.788389893e-02 4.52 -4.261596315e-02 -4.261596315e-02 4.54 -3.775654095e-02 -3.775654095e-02 4.56 -3.330145872e-02 -3.330145872e-02 4.58 -2.924391336e-02 -2.924391336e-02 4.60 -2.557353296e-02 -2.557353296e-02 4.62 -2.227600871e-02 -2.227600871e-02 4.64 -1.933299518e-02 -1.933299518e-02 4.66 -1.672289331e-02 -1.672289331e-02 4.68 -1.442216718e-02 -1.442216718e-02 4.70 -1.240553531e-02 -1.240553531e-02 4.72 -1.064690340e-02 -1.064690340e-02 4.74 -9.120218797e-03 -9.120218797e-03 4.76 -7.800176680e-03 -7.800176680e-03 4.78 -6.662757297e-03 -6.662757297e-03 4.80 -5.685596694e-03 -5.685596694e-03 4.82 -4.848209167e-03 -4.848209167e-03 4.84 -4.132084579e-03 -4.132084579e-03 4.86 -3.520690923e-03 -3.520690923e-03 4.88 -2.999406228e-03 -2.999406228e-03 4.90 -2.555403631e-03 -2.555403631e-03 4.92 -2.177508226e-03 -2.177508226e-03 4.94 -1.856040186e-03 -1.856040186e-03 4.96 -1.582654784e-03 -1.582654784e-03 4.98 -1.350186660e-03 -1.350186660e-03 5.00 -1.152503089e-03 -1.152503089e-03 5.02 -9.843689975e-04 -9.843689975e-04 5.04 -8.413250231e-04 -8.413250231e-04 5.06 -7.195789178e-04 -7.195789178e-04 5.08 -6.159099034e-04 -6.159099034e-04 5.10 -5.275851852e-04 -5.275851852e-04 5.12 -4.522875996e-04 -4.522875996e-04 5.14 -3.880532725e-04 -3.880532725e-04 5.16 -3.332181534e-04 -3.332181534e-04 5.18 -2.863723336e-04 -2.863723336e-04 5.20 -2.463211332e-04 -2.463211332e-04 5.22 -2.120520332e-04 -2.120520332e-04 5.24 -1.827066279e-04 -1.827066279e-04 5.26 -1.575568710e-04 -1.575568710e-04 5.28 -1.359849785e-04 -1.359849785e-04 5.30 -1.174664411e-04 -1.174664411e-04 5.32 -1.015556718e-04 -1.015556718e-04 5.34 -8.787388334e-05 -8.787388334e-05 5.36 -7.609885235e-05 -7.609885235e-05 5.38 -6.595627461e-05 -6.595627461e-05 5.40 -5.721246420e-05 -5.721246420e-05 5.42 -4.966818577e-05 -4.966818577e-05 5.44 -4.315344224e-05 -4.315344224e-05 5.46 -3.752306808e-05 -3.752306808e-05 5.48 -3.265300183e-05 -3.265300183e-05 5.50 -2.843713133e-05 -2.843713133e-05 5.52 -2.478462227e-05 -2.478462227e-05 5.54 -2.161765426e-05 -2.161765426e-05 5.56 -1.886950125e-05 -1.886950125e-05 5.58 -1.648290251e-05 -1.648290251e-05 5.60 -1.440867945e-05 -1.440867945e-05 5.62 -1.260456005e-05 -1.260456005e-05 5.64 -1.103417913e-05 -1.103417913e-05 5.66 -9.666227470e-06 -9.666227470e-06 5.68 -8.473726998e-06 -8.473726998e-06 5.70 -7.433412941e-06 -7.433412941e-06 5.72 -6.525206679e-06 -6.525206679e-06 5.74 -5.731765666e-06 -5.731765666e-06 5.76 -5.038098813e-06 -5.038098813e-06 5.78 -4.431237565e-06 -4.431237565e-06 5.80 -3.899954375e-06 -3.899954375e-06 5.82 -3.434521551e-06 -3.434521551e-06 5.84 -3.026504522e-06 -3.026504522e-06 5.86 -2.668584470e-06 -2.668584470e-06 5.88 -2.354406035e-06 -2.354406035e-06 5.90 -2.078446442e-06 -2.078446442e-06 5.92 -1.835902955e-06 -1.835902955e-06 5.94 -1.622596013e-06 -1.622596013e-06 5.96 -1.434885797e-06 -1.434885797e-06 5.98 -1.269600309e-06 -1.269600309e-06 6.00 -1.123973338e-06 -1.123973338e-06