# 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 = AgNi2Ta # 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 2.059502790e+02 2.059502790e+02 1.30 1.898478931e+02 1.898478931e+02 1.32 1.749800978e+02 1.749800978e+02 1.34 1.612427419e+02 1.612427419e+02 1.36 1.485447234e+02 1.485447234e+02 1.38 1.368063511e+02 1.368063511e+02 1.40 1.259567270e+02 1.259567270e+02 1.42 1.159313499e+02 1.159313499e+02 1.44 1.066701067e+02 1.066701067e+02 1.46 9.811559273e+01 9.811559273e+01 1.48 9.021211508e+01 9.021211508e+01 1.50 8.290573826e+01 8.290573826e+01 1.52 7.614525196e+01 7.614525196e+01 1.54 6.988345243e+01 6.988345243e+01 1.56 6.407802174e+01 6.407802174e+01 1.58 5.869166606e+01 5.869166606e+01 1.60 5.369169257e+01 5.369169257e+01 1.62 4.904938464e+01 4.904938464e+01 1.64 4.473933765e+01 4.473933765e+01 1.66 4.073874764e+01 4.073874764e+01 1.68 3.702671348e+01 3.702671348e+01 1.70 3.358648291e+01 3.358648291e+01 1.72 3.040250881e+01 3.040250881e+01 1.74 2.745667958e+01 2.745667958e+01 1.76 2.473259635e+01 2.473259635e+01 1.78 2.221533149e+01 2.221533149e+01 1.80 1.989035876e+01 1.989035876e+01 1.82 1.774457101e+01 1.774457101e+01 1.84 1.576614223e+01 1.576614223e+01 1.86 1.394423636e+01 1.394423636e+01 1.88 1.226864723e+01 1.226864723e+01 1.90 1.072946951e+01 1.072946951e+01 1.92 9.316884708e+00 9.316884708e+00 1.94 8.021104092e+00 8.021104092e+00 1.96 6.832462393e+00 6.832462393e+00 1.98 5.741617611e+00 5.741617611e+00 2.00 4.739791820e+00 4.739791820e+00 2.02 3.818987966e+00 3.818987966e+00 2.04 2.972133838e+00 2.972133838e+00 2.06 2.193127781e+00 2.193127781e+00 2.08 1.476786299e+00 1.476786299e+00 2.10 8.187172268e-01 8.187172268e-01 2.12 2.151558272e-01 2.151558272e-01 2.14 -3.372001774e-01 -3.372001774e-01 2.16 -8.413330615e-01 -8.413330615e-01 2.18 -1.300016134e+00 -1.300016134e+00 2.20 -1.715894618e+00 -1.715894618e+00 2.22 -2.091541832e+00 -2.091541832e+00 2.24 -2.429496626e+00 -2.429496626e+00 2.26 -2.732287992e+00 -2.732287992e+00 2.28 -3.002452628e+00 -3.002452628e+00 2.30 -3.242548413e+00 -3.242548413e+00 2.32 -3.455139837e+00 -3.455139837e+00 2.34 -3.642665554e+00 -3.642665554e+00 2.36 -3.807883756e+00 -3.807883756e+00 2.38 -3.953478232e+00 -3.953478232e+00 2.40 -4.081854719e+00 -4.081854719e+00 2.42 -4.195070044e+00 -4.195070044e+00 2.44 -4.294741871e+00 -4.294741871e+00 2.46 -4.381754322e+00 -4.381754322e+00 2.48 -4.456764384e+00 -4.456764384e+00 2.50 -4.520433142e+00 -4.520433142e+00 2.52 -4.573415681e+00 -4.573415681e+00 2.54 -4.616356381e+00 -4.616356381e+00 2.56 -4.649887148e+00 -4.649887148e+00 2.58 -4.674626682e+00 -4.674626682e+00 2.60 -4.691179824e+00 -4.691179824e+00 2.62 -4.700137272e+00 -4.700137272e+00 2.64 -4.702071831e+00 -4.702071831e+00 2.66 -4.697538074e+00 -4.697538074e+00 2.68 -4.687076306e+00 -4.687076306e+00 2.70 -4.671213164e+00 -4.671213164e+00 2.72 -4.650461819e+00 -4.650461819e+00 2.74 -4.625319487e+00 -4.625319487e+00 2.76 -4.596260737e+00 -4.596260737e+00 2.78 -4.563719174e+00 -4.563719174e+00 2.80 -4.527939397e+00 -4.527939397e+00 2.82 -4.489028262e+00 -4.489028262e+00 2.84 -4.447097225e+00 -4.447097225e+00 2.86 -4.402260940e+00 -4.402260940e+00 2.88 -4.354635213e+00 -4.354635213e+00 2.90 -4.304345680e+00 -4.304345680e+00 2.92 -4.251617008e+00 -4.251617008e+00 2.94 -4.196510573e+00 -4.196510573e+00 2.96 -4.139049590e+00 -4.139049590e+00 2.98 -4.079281568e+00 -4.079281568e+00 3.00 -4.017274369e+00 -4.017274369e+00 3.02 -3.953112350e+00 -3.953112350e+00 3.04 -3.886892646e+00 -3.886892646e+00 3.06 -3.818724291e+00 -3.818724291e+00 3.08 -3.748733539e+00 -3.748733539e+00 3.10 -3.677051064e+00 -3.677051064e+00 3.12 -3.603806409e+00 -3.603806409e+00 3.14 -3.529127425e+00 -3.529127425e+00 3.16 -3.453141390e+00 -3.453141390e+00 3.18 -3.375977905e+00 -3.375977905e+00 3.20 -3.297773258e+00 -3.297773258e+00 3.22 -3.218675495e+00 -3.218675495e+00 3.24 -3.138849194e+00 -3.138849194e+00 3.26 -3.058478820e+00 -3.058478820e+00 3.28 -2.977769631e+00 -2.977769631e+00 3.30 -2.896945434e+00 -2.896945434e+00 3.32 -2.816242921e+00 -2.816242921e+00 3.34 -2.735902930e+00 -2.735902930e+00 3.36 -2.656159506e+00 -2.656159506e+00 3.38 -2.577228085e+00 -2.577228085e+00 3.40 -2.499294333e+00 -2.499294333e+00 3.42 -2.422505049e+00 -2.422505049e+00 3.44 -2.346962204e+00 -2.346962204e+00 3.46 -2.272720671e+00 -2.272720671e+00 3.48 -2.199789648e+00 -2.199789648e+00 3.50 -2.128137328e+00 -2.128137328e+00 3.52 -2.057698063e+00 -2.057698063e+00 3.54 -1.988381138e+00 -1.988381138e+00 3.56 -1.920080309e+00 -1.920080309e+00 3.58 -1.852683366e+00 -1.852683366e+00 3.60 -1.786081186e+00 -1.786081186e+00 3.62 -1.720175897e+00 -1.720175897e+00 3.64 -1.654887971e+00 -1.654887971e+00 3.66 -1.590162148e+00 -1.590162148e+00 3.68 -1.525972178e+00 -1.525972178e+00 3.70 -1.462324356e+00 -1.462324356e+00 3.72 -1.399259784e+00 -1.399259784e+00 3.74 -1.336855259e+00 -1.336855259e+00 3.76 -1.275222588e+00 -1.275222588e+00 3.78 -1.214506140e+00 -1.214506140e+00 3.80 -1.154878465e+00 -1.154878465e+00 3.82 -1.096533887e+00 -1.096533887e+00 3.84 -1.039680186e+00 -1.039680186e+00 3.86 -9.845286925e-01 -9.845286925e-01 3.88 -9.312833945e-01 -9.312833945e-01 3.90 -8.801299047e-01 -8.801299047e-01 3.92 -8.312252804e-01 -8.312252804e-01 3.94 -7.846896947e-01 -7.846896947e-01 3.96 -7.406007639e-01 -7.406007639e-01 3.98 -6.989910110e-01 -6.989910110e-01 4.00 -6.598485019e-01 -6.598485019e-01 4.02 -6.231202878e-01 -6.231202878e-01 4.04 -5.887179832e-01 -5.887179832e-01 4.06 -5.565246596e-01 -5.565246596e-01 4.08 -5.264022509e-01 -5.264022509e-01 4.10 -4.981987947e-01 -4.981987947e-01 4.12 -4.717550373e-01 -4.717550373e-01 4.14 -4.469101104e-01 -4.469101104e-01 4.16 -4.235062015e-01 -4.235062015e-01 4.18 -4.013922279e-01 -4.013922279e-01 4.20 -3.804266287e-01 -3.804266287e-01 4.22 -3.604794152e-01 -3.604794152e-01 4.24 -3.414336253e-01 -3.414336253e-01 4.26 -3.231863126e-01 -3.231863126e-01 4.28 -3.056491727e-01 -3.056491727e-01 4.30 -2.887488798e-01 -2.887488798e-01 4.32 -2.724271742e-01 -2.724271742e-01 4.34 -2.566407109e-01 -2.566407109e-01 4.36 -2.413606518e-01 -2.413606518e-01 4.38 -2.265719567e-01 -2.265719567e-01 4.40 -2.122723083e-01 -2.122723083e-01 4.42 -1.984706042e-01 -1.984706042e-01 4.44 -1.851849636e-01 -1.851849636e-01 4.46 -1.724402448e-01 -1.724402448e-01 4.48 -1.602651410e-01 -1.602651410e-01 4.50 -1.486890101e-01 -1.486890101e-01 4.52 -1.377386734e-01 -1.377386734e-01 4.54 -1.274354674e-01 -1.274354674e-01 4.56 -1.177928314e-01 -1.177928314e-01 4.58 -1.088146569e-01 -1.088146569e-01 4.60 -1.004945246e-01 -1.004945246e-01 4.62 -9.281582717e-02 -9.281582717e-02 4.64 -8.575267818e-02 -8.575267818e-02 4.66 -7.927141727e-02 -7.927141727e-02 4.68 -7.333248006e-02 -7.333248006e-02 4.70 -6.789239075e-02 -6.789239075e-02 4.72 -6.290569516e-02 -6.290569516e-02 4.74 -5.832639578e-02 -5.832639578e-02 4.76 -5.410998164e-02 -5.410998164e-02 4.78 -5.021490813e-02 -5.021490813e-02 4.80 -4.660276847e-02 -4.660276847e-02 4.82 -4.323890401e-02 -4.323890401e-02 4.84 -4.009282349e-02 -4.009282349e-02 4.86 -3.713839603e-02 -3.713839603e-02 4.88 -3.435385327e-02 -3.435385327e-02 4.90 -3.172164176e-02 -3.172164176e-02 4.92 -2.922815199e-02 -2.922815199e-02 4.94 -2.686334526e-02 -2.686334526e-02 4.96 -2.462029551e-02 -2.462029551e-02 4.98 -2.249466672e-02 -2.249466672e-02 5.00 -2.048414565e-02 -2.048414565e-02 5.02 -1.858785565e-02 -1.858785565e-02 5.04 -1.680578039e-02 -1.680578039e-02 5.06 -1.513822772e-02 -1.513822772e-02 5.08 -1.358527182e-02 -1.358527182e-02 5.10 -1.214635156e-02 -1.214635156e-02 5.12 -1.082045985e-02 -1.082045985e-02 5.14 -9.605616718e-03 -9.605616718e-03 5.16 -8.498792429e-03 -8.498792429e-03 5.18 -7.495950761e-03 -7.495950761e-03 5.20 -6.592164424e-03 -6.592164424e-03 5.22 -5.781779641e-03 -5.781779641e-03 5.24 -5.058607192e-03 -5.058607192e-03 5.26 -4.416119995e-03 -4.416119995e-03 5.28 -3.847641359e-03 -3.847641359e-03 5.30 -3.346512803e-03 -3.346512803e-03 5.32 -2.906234810e-03 -2.906234810e-03 5.34 -2.520577821e-03 -2.520577821e-03 5.36 -2.183663744e-03 -2.183663744e-03 5.38 -1.890020341e-03 -1.890020341e-03 5.40 -1.634612101e-03 -1.634612101e-03 5.42 -1.412851707e-03 -1.412851707e-03 5.44 -1.220596307e-03 -1.220596307e-03 5.46 -1.054132461e-03 -1.054132461e-03 5.48 -9.101531751e-04 -9.101531751e-04 5.50 -7.857298759e-04 -7.857298759e-04 5.52 -6.782816037e-04 -6.782816037e-04 5.54 -5.855431763e-04 -5.855431763e-04 5.56 -5.055336203e-04 -5.055336203e-04 5.58 -4.365257744e-04 -4.365257744e-04 5.60 -3.770176647e-04 -3.770176647e-04 5.62 -3.257060067e-04 -3.257060067e-04 5.64 -2.814620075e-04 -2.814620075e-04 5.66 -2.433095112e-04 -2.433095112e-04 5.68 -2.104054362e-04 -2.104054362e-04 5.70 -1.820223947e-04 -1.820223947e-04 5.72 -1.575333432e-04 -1.575333432e-04 5.74 -1.363980987e-04 -1.363980987e-04 5.76 -1.181515425e-04 -1.181515425e-04 5.78 -1.023933372e-04 -1.023933372e-04 5.80 -8.877899149e-05 -8.877899149e-05 5.82 -7.701211362e-05 -7.701211362e-05 5.84 -6.683770997e-05 -6.683770997e-05 5.86 -5.803639817e-05 -5.803639817e-05 5.88 -5.041941666e-05 -5.041941666e-05 5.90 -4.382432615e-05 -4.382432615e-05 5.92 -3.811131066e-05 -3.811131066e-05 5.94 -3.315999675e-05 -3.315999675e-05 5.96 -2.886671993e-05 -2.886671993e-05 5.98 -2.514217656e-05 -2.514217656e-05 6.00 -2.190940724e-05 -2.190940724e-05