# 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 = FeTaTi2 # 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 2.773780690e+02 2.773780690e+02 1.30 2.558814686e+02 2.558814686e+02 1.32 2.360466678e+02 2.360466678e+02 1.34 2.177338008e+02 2.177338008e+02 1.36 2.008172749e+02 2.008172749e+02 1.38 1.851849782e+02 1.851849782e+02 1.40 1.707363894e+02 1.707363894e+02 1.42 1.573803651e+02 1.573803651e+02 1.44 1.450333719e+02 1.450333719e+02 1.46 1.336181897e+02 1.336181897e+02 1.48 1.230627699e+02 1.230627699e+02 1.50 1.132994100e+02 1.132994100e+02 1.52 1.042645681e+02 1.042645681e+02 1.54 9.589926185e+01 9.589926185e+01 1.56 8.814964660e+01 8.814964660e+01 1.58 8.096727600e+01 8.096727600e+01 1.60 7.430881740e+01 7.430881740e+01 1.62 6.813539598e+01 6.813539598e+01 1.64 6.241184214e+01 6.241184214e+01 1.66 5.710595980e+01 5.710595980e+01 1.68 5.218790053e+01 5.218790053e+01 1.70 4.762979003e+01 4.762979003e+01 1.72 4.340565726e+01 4.340565726e+01 1.74 3.949150846e+01 3.949150846e+01 1.76 3.586530889e+01 3.586530889e+01 1.78 3.250678979e+01 3.250678979e+01 1.80 2.939718387e+01 2.939718387e+01 1.82 2.651910881e+01 2.651910881e+01 1.84 2.385952312e+01 2.385952312e+01 1.86 2.140441802e+01 2.140441802e+01 1.88 1.913927496e+01 1.913927496e+01 1.90 1.705013954e+01 1.705013954e+01 1.92 1.512375881e+01 1.512375881e+01 1.94 1.334755902e+01 1.334755902e+01 1.96 1.170966016e+01 1.170966016e+01 1.98 1.019893945e+01 1.019893945e+01 2.00 8.805094072e+00 8.805094072e+00 2.02 7.518671844e+00 7.518671844e+00 2.04 6.331073788e+00 6.331073788e+00 2.06 5.234548716e+00 5.234548716e+00 2.08 4.222184458e+00 4.222184458e+00 2.10 3.287877785e+00 3.287877785e+00 2.12 2.426260419e+00 2.426260419e+00 2.14 1.632578987e+00 1.632578987e+00 2.16 9.025520992e-01 9.025520992e-01 2.18 2.322339082e-01 2.322339082e-01 2.20 -3.820967381e-01 -3.820967381e-01 2.22 -9.440172033e-01 -9.440172033e-01 2.24 -1.457012200e+00 -1.457012200e+00 2.26 -1.924496389e+00 -1.924496389e+00 2.28 -2.349811103e+00 -2.349811103e+00 2.30 -2.736200449e+00 -2.736200449e+00 2.32 -3.086776847e+00 -3.086776847e+00 2.34 -3.404480986e+00 -3.404480986e+00 2.36 -3.692044610e+00 -3.692044610e+00 2.38 -3.951961694e+00 -3.951961694e+00 2.40 -4.186474795e+00 -4.186474795e+00 2.42 -4.397578696e+00 -4.397578696e+00 2.44 -4.587038831e+00 -4.587038831e+00 2.46 -4.756420639e+00 -4.756420639e+00 2.48 -4.907124436e+00 -4.907124436e+00 2.50 -5.040385277e+00 -5.040385277e+00 2.52 -5.157296000e+00 -5.157296000e+00 2.54 -5.259065077e+00 -5.259065077e+00 2.56 -5.346825295e+00 -5.346825295e+00 2.58 -5.421628358e+00 -5.421628358e+00 2.60 -5.484453716e+00 -5.484453716e+00 2.62 -5.536213814e+00 -5.536213814e+00 2.64 -5.577757841e+00 -5.577757841e+00 2.66 -5.609816618e+00 -5.609816618e+00 2.68 -5.632883757e+00 -5.632883757e+00 2.70 -5.647407507e+00 -5.647407507e+00 2.72 -5.653831845e+00 -5.653831845e+00 2.74 -5.652594691e+00 -5.652594691e+00 2.76 -5.644215150e+00 -5.644215150e+00 2.78 -5.629067896e+00 -5.629067896e+00 2.80 -5.607469590e+00 -5.607469590e+00 2.82 -5.579758470e+00 -5.579758470e+00 2.84 -5.546294683e+00 -5.546294683e+00 2.86 -5.507459316e+00 -5.507459316e+00 2.88 -5.463651604e+00 -5.463651604e+00 2.90 -5.415284099e+00 -5.415284099e+00 2.92 -5.362737294e+00 -5.362737294e+00 2.94 -5.306231713e+00 -5.306231713e+00 2.96 -5.245981991e+00 -5.245981991e+00 2.98 -5.182235878e+00 -5.182235878e+00 3.00 -5.115266505e+00 -5.115266505e+00 3.02 -5.045367812e+00 -5.045367812e+00 3.04 -4.972842729e+00 -4.972842729e+00 3.06 -4.897988967e+00 -4.897988967e+00 3.08 -4.821083527e+00 -4.821083527e+00 3.10 -4.742370671e+00 -4.742370671e+00 3.12 -4.661996402e+00 -4.661996402e+00 3.14 -4.579952528e+00 -4.579952528e+00 3.16 -4.496214586e+00 -4.496214586e+00 3.18 -4.410771521e+00 -4.410771521e+00 3.20 -4.323637121e+00 -4.323637121e+00 3.22 -4.234860544e+00 -4.234860544e+00 3.24 -4.144534035e+00 -4.144534035e+00 3.26 -4.052796785e+00 -4.052796785e+00 3.28 -3.959834416e+00 -3.959834416e+00 3.30 -3.865874070e+00 -3.865874070e+00 3.32 -3.771175468e+00 -3.771175468e+00 3.34 -3.676018795e+00 -3.676018795e+00 3.36 -3.580690697e+00 -3.580690697e+00 3.38 -3.485469978e+00 -3.485469978e+00 3.40 -3.390614659e+00 -3.390614659e+00 3.42 -3.296351984e+00 -3.296351984e+00 3.44 -3.202872010e+00 -3.202872010e+00 3.46 -3.110325593e+00 -3.110325593e+00 3.48 -3.018826034e+00 -3.018826034e+00 3.50 -2.928453540e+00 -2.928453540e+00 3.52 -2.839261167e+00 -2.839261167e+00 3.54 -2.751280872e+00 -2.751280872e+00 3.56 -2.664528653e+00 -2.664528653e+00 3.58 -2.579008391e+00 -2.579008391e+00 3.60 -2.494714685e+00 -2.494714685e+00 3.62 -2.411635472e+00 -2.411635472e+00 3.64 -2.329755335e+00 -2.329755335e+00 3.66 -2.249060060e+00 -2.249060060e+00 3.68 -2.169542412e+00 -2.169542412e+00 3.70 -2.091208539e+00 -2.091208539e+00 3.72 -2.014084033e+00 -2.014084033e+00 3.74 -1.938218640e+00 -1.938218640e+00 3.76 -1.863688786e+00 -1.863688786e+00 3.78 -1.790597415e+00 -1.790597415e+00 3.80 -1.719071044e+00 -1.719071044e+00 3.82 -1.649254252e+00 -1.649254252e+00 3.84 -1.581302165e+00 -1.581302165e+00 3.86 -1.515371687e+00 -1.515371687e+00 3.88 -1.451612362e+00 -1.451612362e+00 3.90 -1.390157742e+00 -1.390157742e+00 3.92 -1.331118007e+00 -1.331118007e+00 3.94 -1.274574722e+00 -1.274574722e+00 3.96 -1.220577254e+00 -1.220577254e+00 3.98 -1.169142020e+00 -1.169142020e+00 4.00 -1.120253500e+00 -1.120253500e+00 4.02 -1.073867018e+00 -1.073867018e+00 4.04 -1.029912741e+00 -1.029912741e+00 4.06 -9.883003973e-01 -9.883003973e-01 4.08 -9.489242545e-01 -9.489242545e-01 4.10 -9.116678102e-01 -9.116678102e-01 4.12 -8.764088653e-01 -8.764088653e-01 4.14 -8.430223594e-01 -8.430223594e-01 4.16 -8.113842454e-01 -8.113842454e-01 4.18 -7.813737766e-01 -7.813737766e-01 4.20 -7.528753304e-01 -7.528753304e-01 4.22 -7.257796547e-01 -7.257796547e-01 4.24 -6.999846242e-01 -6.999846242e-01 4.26 -6.753956010e-01 -6.753956010e-01 4.28 -6.519254879e-01 -6.519254879e-01 4.30 -6.294945528e-01 -6.294945528e-01 4.32 -6.080300941e-01 -6.080300941e-01 4.34 -5.874660011e-01 -5.874660011e-01 4.36 -5.677422528e-01 -5.677422528e-01 4.38 -5.488043905e-01 -5.488043905e-01 4.40 -5.306029866e-01 -5.306029866e-01 4.42 -5.130931282e-01 -5.130931282e-01 4.44 -4.962339263e-01 -4.962339263e-01 4.46 -4.799880587e-01 -4.799880587e-01 4.48 -4.643213485e-01 -4.643213485e-01 4.50 -4.492023816e-01 -4.492023816e-01 4.52 -4.346021616e-01 -4.346021616e-01 4.54 -4.204938011e-01 -4.204938011e-01 4.56 -4.068522482e-01 -4.068522482e-01 4.58 -3.936540459e-01 -3.936540459e-01 4.60 -3.808771226e-01 -3.808771226e-01 4.62 -3.685006130e-01 -3.685006130e-01 4.64 -3.565047081e-01 -3.565047081e-01 4.66 -3.448705355e-01 -3.448705355e-01 4.68 -3.335800688e-01 -3.335800688e-01 4.70 -3.226160697e-01 -3.226160697e-01 4.72 -3.119620638e-01 -3.119620638e-01 4.74 -3.016023527e-01 -3.016023527e-01 4.76 -2.915220650e-01 -2.915220650e-01 4.78 -2.817072481e-01 -2.817072481e-01 4.80 -2.721449170e-01 -2.721449170e-01 4.82 -2.628235719e-01 -2.628235719e-01 4.84 -2.537328548e-01 -2.537328548e-01 4.86 -2.448641504e-01 -2.448641504e-01 4.88 -2.362107056e-01 -2.362107056e-01 4.90 -2.277678234e-01 -2.277678234e-01 4.92 -2.195329991e-01 -2.195329991e-01 4.94 -2.115059657e-01 -2.115059657e-01 4.96 -2.036886119e-01 -2.036886119e-01 4.98 -1.960847510e-01 -1.960847510e-01 5.00 -1.886997298e-01 -1.886997298e-01 5.02 -1.815398859e-01 -1.815398859e-01 5.04 -1.746118886e-01 -1.746118886e-01 5.06 -1.679220190e-01 -1.679220190e-01 5.08 -1.614753546e-01 -1.614753546e-01 5.10 -1.552750433e-01 -1.552750433e-01 5.12 -1.493225154e-01 -1.493225154e-01 5.14 -1.436166719e-01 -1.436166719e-01 5.16 -1.381537416e-01 -1.381537416e-01 5.18 -1.329273902e-01 -1.329273902e-01 5.20 -1.279289887e-01 -1.279289887e-01 5.22 -1.231479902e-01 -1.231479902e-01 5.24 -1.185723651e-01 -1.185723651e-01 5.26 -1.141890436e-01 -1.141890436e-01 5.28 -1.099843307e-01 -1.099843307e-01 5.30 -1.059442667e-01 -1.059442667e-01 5.32 -1.020549223e-01 -1.020549223e-01 5.34 -9.830262587e-02 -9.830262587e-02 5.36 -9.467412759e-02 -9.467412759e-02 5.38 -9.115671128e-02 -9.115671128e-02 5.40 -8.773826640e-02 -8.773826640e-02 5.42 -8.440733295e-02 -8.440733295e-02 5.44 -8.115313205e-02 -8.115313205e-02 5.46 -7.796559302e-02 -7.796559302e-02 5.48 -7.483538666e-02 -7.483538666e-02 5.50 -7.175397194e-02 -7.175397194e-02 5.52 -6.871366163e-02 -6.871366163e-02 5.54 -6.570770994e-02 -6.570770994e-02 5.56 -6.273042264e-02 -6.273042264e-02 5.58 -5.977728754e-02 -5.977728754e-02 5.60 -5.684511953e-02 -5.684511953e-02 5.62 -5.393221137e-02 -5.393221137e-02 5.64 -5.103847734e-02 -5.103847734e-02 5.66 -4.816557430e-02 -4.816557430e-02 5.68 -4.531697918e-02 -4.531697918e-02 5.70 -4.249800747e-02 -4.249800747e-02 5.72 -3.971575207e-02 -3.971575207e-02 5.74 -3.697892820e-02 -3.697892820e-02 5.76 -3.429761717e-02 -3.429761717e-02 5.78 -3.168291153e-02 -3.168291153e-02 5.80 -2.914647555e-02 -2.914647555e-02 5.82 -2.670004221e-02 -2.670004221e-02 5.84 -2.435488372e-02 -2.435488372e-02 5.86 -2.212129511e-02 -2.212129511e-02 5.88 -2.000813096e-02 -2.000813096e-02 5.90 -1.802243101e-02 -1.802243101e-02 5.92 -1.616902757e-02 -1.616902757e-02 5.94 -1.445036864e-02 -1.445036864e-02 5.96 -1.286723561e-02 -1.286723561e-02 5.98 -1.141828310e-02 -1.141828310e-02 6.00 -1.010021872e-02 -1.010021872e-02