# 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 = FeMg2Ti # 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 3.367746189e+02 3.367746189e+02 1.30 3.109527688e+02 3.109527688e+02 1.32 2.871409573e+02 2.871409573e+02 1.34 2.651701905e+02 2.651701905e+02 1.36 2.448876549e+02 2.448876549e+02 1.38 2.261559184e+02 2.261559184e+02 1.40 2.088509626e+02 2.088509626e+02 1.42 1.928600064e+02 1.928600064e+02 1.44 1.780800891e+02 1.780800891e+02 1.46 1.644173088e+02 1.644173088e+02 1.48 1.517859953e+02 1.517859953e+02 1.50 1.401075830e+02 1.401075830e+02 1.52 1.293095153e+02 1.293095153e+02 1.54 1.193245037e+02 1.193245037e+02 1.56 1.100902259e+02 1.100902259e+02 1.58 1.015492275e+02 1.015492275e+02 1.60 9.364870692e+01 9.364870692e+01 1.62 8.634010858e+01 8.634010858e+01 1.64 7.957877358e+01 7.957877358e+01 1.66 7.332330603e+01 7.332330603e+01 1.68 6.753501866e+01 6.753501866e+01 1.70 6.217758001e+01 6.217758001e+01 1.72 5.721749803e+01 5.721749803e+01 1.74 5.262418018e+01 5.262418018e+01 1.76 4.836975104e+01 4.836975104e+01 1.78 4.442888757e+01 4.442888757e+01 1.80 4.077852336e+01 4.077852336e+01 1.82 3.739754092e+01 3.739754092e+01 1.84 3.426650348e+01 3.426650348e+01 1.86 3.136745365e+01 3.136745365e+01 1.88 2.868374407e+01 2.868374407e+01 1.90 2.619988583e+01 2.619988583e+01 1.92 2.390140675e+01 2.390140675e+01 1.94 2.177474257e+01 2.177474257e+01 1.96 1.980718169e+01 1.980718169e+01 1.98 1.798686104e+01 1.798686104e+01 2.00 1.630276827e+01 1.630276827e+01 2.02 1.474471436e+01 1.474471436e+01 2.04 1.330328303e+01 1.330328303e+01 2.06 1.196978196e+01 1.196978196e+01 2.08 1.073620932e+01 1.073620932e+01 2.10 9.595229843e+00 9.595229843e+00 2.12 8.540140890e+00 8.540140890e+00 2.14 7.564818365e+00 7.564818365e+00 2.16 6.663647254e+00 6.663647254e+00 2.18 5.831444226e+00 5.831444226e+00 2.20 5.063386343e+00 5.063386343e+00 2.22 4.354949474e+00 4.354949474e+00 2.24 3.701867477e+00 3.701867477e+00 2.26 3.100114248e+00 3.100114248e+00 2.28 2.545903884e+00 2.545903884e+00 2.30 2.035706881e+00 2.035706881e+00 2.32 1.566259863e+00 1.566259863e+00 2.34 1.134575414e+00 1.134575414e+00 2.36 7.379346203e-01 7.379346203e-01 2.38 3.738695043e-01 3.738695043e-01 2.40 4.013136145e-02 4.013136145e-02 2.42 -2.654008255e-01 -2.654008255e-01 2.44 -5.445987240e-01 -5.445987240e-01 2.46 -7.991803955e-01 -7.991803955e-01 2.48 -1.030780270e+00 -1.030780270e+00 2.50 -1.240958502e+00 -1.240958502e+00 2.52 -1.431204866e+00 -1.431204866e+00 2.54 -1.602938538e+00 -1.602938538e+00 2.56 -1.757461670e+00 -1.757461670e+00 2.58 -1.895882672e+00 -1.895882672e+00 2.60 -2.019245893e+00 -2.019245893e+00 2.62 -2.128555231e+00 -2.128555231e+00 2.64 -2.224765512e+00 -2.224765512e+00 2.66 -2.308776556e+00 -2.308776556e+00 2.68 -2.381440499e+00 -2.381440499e+00 2.70 -2.443562636e+00 -2.443562636e+00 2.72 -2.495904166e+00 -2.495904166e+00 2.74 -2.539186075e+00 -2.539186075e+00 2.76 -2.574093773e+00 -2.574093773e+00 2.78 -2.601273185e+00 -2.601273185e+00 2.80 -2.621260014e+00 -2.621260014e+00 2.82 -2.634537068e+00 -2.634537068e+00 2.84 -2.641594265e+00 -2.641594265e+00 2.86 -2.642925827e+00 -2.642925827e+00 2.88 -2.639025422e+00 -2.639025422e+00 2.90 -2.630379851e+00 -2.630379851e+00 2.92 -2.617461936e+00 -2.617461936e+00 2.94 -2.600723646e+00 -2.600723646e+00 2.96 -2.580590564e+00 -2.580590564e+00 2.98 -2.557458403e+00 -2.557458403e+00 3.00 -2.531691474e+00 -2.531691474e+00 3.02 -2.503622305e+00 -2.503622305e+00 3.04 -2.473551116e+00 -2.473551116e+00 3.06 -2.441746454e+00 -2.441746454e+00 3.08 -2.408442658e+00 -2.408442658e+00 3.10 -2.373841787e+00 -2.373841787e+00 3.12 -2.338115302e+00 -2.338115302e+00 3.14 -2.301410684e+00 -2.301410684e+00 3.16 -2.263854834e+00 -2.263854834e+00 3.18 -2.225568820e+00 -2.225568820e+00 3.20 -2.186706279e+00 -2.186706279e+00 3.22 -2.147335444e+00 -2.147335444e+00 3.24 -2.107517803e+00 -2.107517803e+00 3.26 -2.067331624e+00 -2.067331624e+00 3.28 -2.026870256e+00 -2.026870256e+00 3.30 -1.986238737e+00 -1.986238737e+00 3.32 -1.945546618e+00 -1.945546618e+00 3.34 -1.904848006e+00 -1.904848006e+00 3.36 -1.864148937e+00 -1.864148937e+00 3.38 -1.823475420e+00 -1.823475420e+00 3.40 -1.782869003e+00 -1.782869003e+00 3.42 -1.742380929e+00 -1.742380929e+00 3.44 -1.702067316e+00 -1.702067316e+00 3.46 -1.661987130e+00 -1.661987130e+00 3.48 -1.622200903e+00 -1.622200903e+00 3.50 -1.582770233e+00 -1.582770233e+00 3.52 -1.543757303e+00 -1.543757303e+00 3.54 -1.505223904e+00 -1.505223904e+00 3.56 -1.467229669e+00 -1.467229669e+00 3.58 -1.429829611e+00 -1.429829611e+00 3.60 -1.393071354e+00 -1.393071354e+00 3.62 -1.356992696e+00 -1.356992696e+00 3.64 -1.321620089e+00 -1.321620089e+00 3.66 -1.286968385e+00 -1.286968385e+00 3.68 -1.253041852e+00 -1.253041852e+00 3.70 -1.219836162e+00 -1.219836162e+00 3.72 -1.187340872e+00 -1.187340872e+00 3.74 -1.155541966e+00 -1.155541966e+00 3.76 -1.124424102e+00 -1.124424102e+00 3.78 -1.093972372e+00 -1.093972372e+00 3.80 -1.064173520e+00 -1.064173520e+00 3.82 -1.035016615e+00 -1.035016615e+00 3.84 -1.006493244e+00 -1.006493244e+00 3.86 -9.785973088e-01 -9.785973088e-01 3.88 -9.513245107e-01 -9.513245107e-01 3.90 -9.246716413e-01 -9.246716413e-01 3.92 -8.986355942e-01 -8.986355942e-01 3.94 -8.732135278e-01 -8.732135278e-01 3.96 -8.484009063e-01 -8.484009063e-01 3.98 -8.241921474e-01 -8.241921474e-01 4.00 -8.005802503e-01 -8.005802503e-01 4.02 -7.775568837e-01 -7.775568837e-01 4.04 -7.551126080e-01 -7.551126080e-01 4.06 -7.332371613e-01 -7.332371613e-01 4.08 -7.119197523e-01 -7.119197523e-01 4.10 -6.911485958e-01 -6.911485958e-01 4.12 -6.709141476e-01 -6.709141476e-01 4.14 -6.512044482e-01 -6.512044482e-01 4.16 -6.320085972e-01 -6.320085972e-01 4.18 -6.133158895e-01 -6.133158895e-01 4.20 -5.951158237e-01 -5.951158237e-01 4.22 -5.773980898e-01 -5.773980898e-01 4.24 -5.601525458e-01 -5.601525458e-01 4.26 -5.433691908e-01 -5.433691908e-01 4.28 -5.270381405e-01 -5.270381405e-01 4.30 -5.111496068e-01 -5.111496068e-01 4.32 -4.956938837e-01 -4.956938837e-01 4.34 -4.806613387e-01 -4.806613387e-01 4.36 -4.660424076e-01 -4.660424076e-01 4.38 -4.518275920e-01 -4.518275920e-01 4.40 -4.380074560e-01 -4.380074560e-01 4.42 -4.245726215e-01 -4.245726215e-01 4.44 -4.115137597e-01 -4.115137597e-01 4.46 -3.988215796e-01 -3.988215796e-01 4.48 -3.864868128e-01 -3.864868128e-01 4.50 -3.745001965e-01 -3.745001965e-01 4.52 -3.628524555e-01 -3.628524555e-01 4.54 -3.515342851e-01 -3.515342851e-01 4.56 -3.405363375e-01 -3.405363375e-01 4.58 -3.298492121e-01 -3.298492121e-01 4.60 -3.194634522e-01 -3.194634522e-01 4.62 -3.093695497e-01 -3.093695497e-01 4.64 -2.995579576e-01 -2.995579576e-01 4.66 -2.900191125e-01 -2.900191125e-01 4.68 -2.807434669e-01 -2.807434669e-01 4.70 -2.717215336e-01 -2.717215336e-01 4.72 -2.629439406e-01 -2.629439406e-01 4.74 -2.544014995e-01 -2.544014995e-01 4.76 -2.460852869e-01 -2.460852869e-01 4.78 -2.379867396e-01 -2.379867396e-01 4.80 -2.300973430e-01 -2.300973430e-01 4.82 -2.224105061e-01 -2.224105061e-01 4.84 -2.149189376e-01 -2.149189376e-01 4.86 -2.076167084e-01 -2.076167084e-01 4.88 -2.004988698e-01 -2.004988698e-01 4.90 -1.935615629e-01 -1.935615629e-01 4.92 -1.868020938e-01 -1.868020938e-01 4.94 -1.802189582e-01 -1.802189582e-01 4.96 -1.738117960e-01 -1.738117960e-01 4.98 -1.675812659e-01 -1.675812659e-01 5.00 -1.615288332e-01 -1.615288332e-01 5.02 -1.556564759e-01 -1.556564759e-01 5.04 -1.499663295e-01 -1.499663295e-01 5.06 -1.444602985e-01 -1.444602985e-01 5.08 -1.391396736e-01 -1.391396736e-01 5.10 -1.340047942e-01 -1.340047942e-01 5.12 -1.290547904e-01 -1.290547904e-01 5.14 -1.242874297e-01 -1.242874297e-01 5.16 -1.196990755e-01 -1.196990755e-01 5.18 -1.152847530e-01 -1.152847530e-01 5.20 -1.110383040e-01 -1.110383040e-01 5.22 -1.069526048e-01 -1.069526048e-01 5.24 -1.030198183e-01 -1.030198183e-01 5.26 -9.923165584e-02 -9.923165584e-02 5.28 -9.557962519e-02 -9.557962519e-02 5.30 -9.205525133e-02 -9.205525133e-02 5.32 -8.865025990e-02 -8.865025990e-02 5.34 -8.535671988e-02 -8.535671988e-02 5.36 -8.216714530e-02 -8.216714530e-02 5.38 -7.907455822e-02 -7.907455822e-02 5.40 -7.607251766e-02 -7.607251766e-02 5.42 -7.315511874e-02 -7.315511874e-02 5.44 -7.031696947e-02 -7.031696947e-02 5.46 -6.755315147e-02 -6.755315147e-02 5.48 -6.485917247e-02 -6.485917247e-02 5.50 -6.223091947e-02 -6.223091947e-02 5.52 -5.966462072e-02 -5.966462072e-02 5.54 -5.715682451e-02 -5.715682451e-02 5.56 -5.470440246e-02 -5.470440246e-02 5.58 -5.230457520e-02 -5.230457520e-02 5.60 -4.995496151e-02 -4.995496151e-02 5.62 -4.765365603e-02 -4.765365603e-02 5.64 -4.539931665e-02 -4.539931665e-02 5.66 -4.319125369e-02 -4.319125369e-02 5.68 -4.102950782e-02 -4.102950782e-02 5.70 -3.891490248e-02 -3.891490248e-02 5.72 -3.684905794e-02 -3.684905794e-02 5.74 -3.483435635e-02 -3.483435635e-02 5.76 -3.287381164e-02 -3.287381164e-02 5.78 -3.097063172e-02 -3.097063172e-02 5.80 -2.912821259e-02 -2.912821259e-02 5.82 -2.735091303e-02 -2.735091303e-02 5.84 -2.564291907e-02 -2.564291907e-02 5.86 -2.400796538e-02 -2.400796538e-02 5.88 -2.244910881e-02 -2.244910881e-02 5.90 -2.096854626e-02 -2.096854626e-02 5.92 -1.956749107e-02 -1.956749107e-02 5.94 -1.824611510e-02 -1.824611510e-02 5.96 -1.700355673e-02 -1.700355673e-02 5.98 -1.583798838e-02 -1.583798838e-02 6.00 -1.474673230e-02 -1.474673230e-02