# 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 = AgCo2Zr # 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 2.269769873e+02 2.269769873e+02 1.30 2.096119020e+02 2.096119020e+02 1.32 1.935710845e+02 1.935710845e+02 1.34 1.787458399e+02 1.787458399e+02 1.36 1.650374278e+02 1.650374278e+02 1.38 1.523566420e+02 1.523566420e+02 1.40 1.406228531e+02 1.406228531e+02 1.42 1.297625783e+02 1.297625783e+02 1.44 1.197080304e+02 1.197080304e+02 1.46 1.103964539e+02 1.103964539e+02 1.48 1.017703259e+02 1.017703259e+02 1.50 9.377746199e+01 9.377746199e+01 1.52 8.637036724e+01 8.637036724e+01 1.54 7.950523005e+01 7.950523005e+01 1.56 7.314133485e+01 7.314133485e+01 1.58 6.724103166e+01 6.724103166e+01 1.60 6.176975698e+01 6.176975698e+01 1.62 5.669576231e+01 5.669576231e+01 1.64 5.198965554e+01 5.198965554e+01 1.66 4.762402243e+01 4.762402243e+01 1.68 4.357329671e+01 4.357329671e+01 1.70 3.981385757e+01 3.981385757e+01 1.72 3.632406311e+01 3.632406311e+01 1.74 3.308417790e+01 3.308417790e+01 1.76 3.007656495e+01 3.007656495e+01 1.78 2.728458031e+01 2.728458031e+01 1.80 2.469330221e+01 2.469330221e+01 1.82 2.229094168e+01 2.229094168e+01 1.84 2.006458941e+01 2.006458941e+01 1.86 1.800202953e+01 1.800202953e+01 1.88 1.609196887e+01 1.609196887e+01 1.90 1.432397633e+01 1.432397633e+01 1.92 1.268838265e+01 1.268838265e+01 1.94 1.117615950e+01 1.117615950e+01 1.96 9.778790837e+00 9.778790837e+00 1.98 8.488222279e+00 8.488222279e+00 2.00 7.296869458e+00 7.296869458e+00 2.02 6.197643328e+00 6.197643328e+00 2.04 5.183960912e+00 5.183960912e+00 2.06 4.249719381e+00 4.249719381e+00 2.08 3.389237795e+00 3.389237795e+00 2.10 2.597198725e+00 2.597198725e+00 2.12 1.868614921e+00 1.868614921e+00 2.14 1.198820230e+00 1.198820230e+00 2.16 5.834882523e-01 5.834882523e-01 2.18 1.864078867e-02 1.864078867e-02 2.20 -4.993550853e-01 -4.993550853e-01 2.22 -9.738235308e-01 -9.738235308e-01 2.24 -1.407817839e+00 -1.407817839e+00 2.26 -1.804150425e+00 -1.804150425e+00 2.28 -2.165418232e+00 -2.165418232e+00 2.30 -2.494001350e+00 -2.494001350e+00 2.32 -2.792097274e+00 -2.792097274e+00 2.34 -3.061722968e+00 -3.061722968e+00 2.36 -3.304755529e+00 -3.304755529e+00 2.38 -3.522956242e+00 -3.522956242e+00 2.40 -3.717995235e+00 -3.717995235e+00 2.42 -3.891476211e+00 -3.891476211e+00 2.44 -4.044948019e+00 -4.044948019e+00 2.46 -4.179969251e+00 -4.179969251e+00 2.48 -4.298005757e+00 -4.298005757e+00 2.50 -4.400380967e+00 -4.400380967e+00 2.52 -4.488376090e+00 -4.488376090e+00 2.54 -4.563214836e+00 -4.563214836e+00 2.56 -4.626054100e+00 -4.626054100e+00 2.58 -4.677979957e+00 -4.677979957e+00 2.60 -4.719980869e+00 -4.719980869e+00 2.62 -4.752802354e+00 -4.752802354e+00 2.64 -4.777085385e+00 -4.777085385e+00 2.66 -4.793426608e+00 -4.793426608e+00 2.68 -4.802377303e+00 -4.802377303e+00 2.70 -4.804468742e+00 -4.804468742e+00 2.72 -4.800212045e+00 -4.800212045e+00 2.74 -4.789969575e+00 -4.789969575e+00 2.76 -4.774092012e+00 -4.774092012e+00 2.78 -4.752926847e+00 -4.752926847e+00 2.80 -4.726825277e+00 -4.726825277e+00 2.82 -4.696124671e+00 -4.696124671e+00 2.84 -4.661155150e+00 -4.661155150e+00 2.86 -4.622234910e+00 -4.622234910e+00 2.88 -4.579662344e+00 -4.579662344e+00 2.90 -4.533656324e+00 -4.533656324e+00 2.92 -4.484403555e+00 -4.484403555e+00 2.94 -4.432105713e+00 -4.432105713e+00 2.96 -4.376980302e+00 -4.376980302e+00 2.98 -4.319261438e+00 -4.319261438e+00 3.00 -4.259275472e+00 -4.259275472e+00 3.02 -4.197285629e+00 -4.197285629e+00 3.04 -4.133468191e+00 -4.133468191e+00 3.06 -4.068026192e+00 -4.068026192e+00 3.08 -4.001164606e+00 -4.001164606e+00 3.10 -3.933087812e+00 -3.933087812e+00 3.12 -3.863985837e+00 -3.863985837e+00 3.14 -3.794038222e+00 -3.794038222e+00 3.16 -3.723399593e+00 -3.723399593e+00 3.18 -3.652217095e+00 -3.652217095e+00 3.20 -3.580625758e+00 -3.580625758e+00 3.22 -3.508751132e+00 -3.508751132e+00 3.24 -3.436714788e+00 -3.436714788e+00 3.26 -3.364639146e+00 -3.364639146e+00 3.28 -3.292650759e+00 -3.292650759e+00 3.30 -3.220881184e+00 -3.220881184e+00 3.32 -3.149464956e+00 -3.149464956e+00 3.34 -3.078534933e+00 -3.078534933e+00 3.36 -3.008216217e+00 -3.008216217e+00 3.38 -2.938620310e+00 -2.938620310e+00 3.40 -2.869839921e+00 -2.869839921e+00 3.42 -2.801952166e+00 -2.801952166e+00 3.44 -2.735011947e+00 -2.735011947e+00 3.46 -2.669059814e+00 -2.669059814e+00 3.48 -2.604123663e+00 -2.604123663e+00 3.50 -2.540221666e+00 -2.540221666e+00 3.52 -2.477364528e+00 -2.477364528e+00 3.54 -2.415556943e+00 -2.415556943e+00 3.56 -2.354798377e+00 -2.354798377e+00 3.58 -2.295083409e+00 -2.295083409e+00 3.60 -2.236401892e+00 -2.236401892e+00 3.62 -2.178739177e+00 -2.178739177e+00 3.64 -2.122076563e+00 -2.122076563e+00 3.66 -2.066392100e+00 -2.066392100e+00 3.68 -2.011661800e+00 -2.011661800e+00 3.70 -1.957861242e+00 -1.957861242e+00 3.72 -1.904967512e+00 -1.904967512e+00 3.74 -1.852961353e+00 -1.852961353e+00 3.76 -1.801829328e+00 -1.801829328e+00 3.78 -1.751565760e+00 -1.751565760e+00 3.80 -1.702174170e+00 -1.702174170e+00 3.82 -1.653667897e+00 -1.653667897e+00 3.84 -1.606069647e+00 -1.606069647e+00 3.86 -1.559409821e+00 -1.559409821e+00 3.88 -1.513723656e+00 -1.513723656e+00 3.90 -1.469047470e+00 -1.469047470e+00 3.92 -1.425413142e+00 -1.425413142e+00 3.94 -1.382850091e+00 -1.382850091e+00 3.96 -1.341373064e+00 -1.341373064e+00 3.98 -1.300986967e+00 -1.300986967e+00 4.00 -1.261684871e+00 -1.261684871e+00 4.02 -1.223449022e+00 -1.223449022e+00 4.04 -1.186252765e+00 -1.186252765e+00 4.06 -1.150062969e+00 -1.150062969e+00 4.08 -1.114842588e+00 -1.114842588e+00 4.10 -1.080549317e+00 -1.080549317e+00 4.12 -1.047153519e+00 -1.047153519e+00 4.14 -1.014615139e+00 -1.014615139e+00 4.16 -9.829027281e-01 -9.829027281e-01 4.18 -9.519899234e-01 -9.519899234e-01 4.20 -9.218562703e-01 -9.218562703e-01 4.22 -8.924876662e-01 -8.924876662e-01 4.24 -8.638763771e-01 -8.638763771e-01 4.26 -8.360205683e-01 -8.360205683e-01 4.28 -8.089233200e-01 -8.089233200e-01 4.30 -7.825911618e-01 -7.825911618e-01 4.32 -7.570322364e-01 -7.570322364e-01 4.34 -7.322542770e-01 -7.322542770e-01 4.36 -7.082626319e-01 -7.082626319e-01 4.38 -6.850585687e-01 -6.850585687e-01 4.40 -6.626380450e-01 -6.626380450e-01 4.42 -6.409910475e-01 -6.409910475e-01 4.44 -6.201015053e-01 -6.201015053e-01 4.46 -5.999477027e-01 -5.999477027e-01 4.48 -5.805030567e-01 -5.805030567e-01 4.50 -5.617371103e-01 -5.617371103e-01 4.52 -5.436165989e-01 -5.436165989e-01 4.54 -5.261064784e-01 -5.261064784e-01 4.56 -5.091708392e-01 -5.091708392e-01 4.58 -4.927736716e-01 -4.927736716e-01 4.60 -4.768794729e-01 -4.768794729e-01 4.62 -4.614537141e-01 -4.614537141e-01 4.64 -4.464631944e-01 -4.464631944e-01 4.66 -4.318763182e-01 -4.318763182e-01 4.68 -4.176633334e-01 -4.176633334e-01 4.70 -4.037965617e-01 -4.037965617e-01 4.72 -3.902506506e-01 -3.902506506e-01 4.74 -3.770028642e-01 -3.770028642e-01 4.76 -3.640334219e-01 -3.640334219e-01 4.78 -3.513258814e-01 -3.513258814e-01 4.80 -3.388643955e-01 -3.388643955e-01 4.82 -3.266472420e-01 -3.266472420e-01 4.84 -3.146665663e-01 -3.146665663e-01 4.86 -3.029230021e-01 -3.029230021e-01 4.88 -2.914219016e-01 -2.914219016e-01 4.90 -2.801731107e-01 -2.801731107e-01 4.92 -2.691904477e-01 -2.691904477e-01 4.94 -2.584908690e-01 -2.584908690e-01 4.96 -2.480933494e-01 -2.480933494e-01 4.98 -2.380175465e-01 -2.380175465e-01 5.00 -2.282823617e-01 -2.282823617e-01 5.02 -2.189045317e-01 -2.189045317e-01 5.04 -2.098973894e-01 -2.098973894e-01 5.06 -2.012699094e-01 -2.012699094e-01 5.08 -1.930260009e-01 -1.930260009e-01 5.10 -1.851644322e-01 -1.851644322e-01 5.12 -1.776792511e-01 -1.776792511e-01 5.14 -1.705599363e-01 -1.705599363e-01 5.16 -1.637921091e-01 -1.637921091e-01 5.18 -1.573583827e-01 -1.573583827e-01 5.20 -1.512392588e-01 -1.512392588e-01 5.22 -1.454140018e-01 -1.454140018e-01 5.24 -1.398614413e-01 -1.398614413e-01 5.26 -1.345606735e-01 -1.345606735e-01 5.28 -1.294916479e-01 -1.294916479e-01 5.30 -1.246356365e-01 -1.246356365e-01 5.32 -1.199755893e-01 -1.199755893e-01 5.34 -1.154963845e-01 -1.154963845e-01 5.36 -1.111849794e-01 -1.111849794e-01 5.38 -1.070304678e-01 -1.070304678e-01 5.40 -1.030240499e-01 -1.030240499e-01 5.42 -9.915891710e-02 -9.915891710e-02 5.44 -9.543005810e-02 -9.543005810e-02 5.46 -9.183399539e-02 -9.183399539e-02 5.48 -8.836846469e-02 -8.836846469e-02 5.50 -8.503205646e-02 -8.503205646e-02 5.52 -8.182384441e-02 -8.182384441e-02 5.54 -7.874302550e-02 -7.874302550e-02 5.56 -7.578859720e-02 -7.578859720e-02 5.58 -7.295909388e-02 -7.295909388e-02 5.60 -7.025229975e-02 -7.025229975e-02 5.62 -6.766522492e-02 -6.766522492e-02 5.64 -6.519431859e-02 -6.519431859e-02 5.66 -6.283523180e-02 -6.283523180e-02 5.68 -6.058290885e-02 -6.058290885e-02 5.70 -5.843172077e-02 -5.843172077e-02 5.72 -5.637561579e-02 -5.637561579e-02 5.74 -5.440827114e-02 -5.440827114e-02 5.76 -5.252323460e-02 -5.252323460e-02 5.78 -5.071404793e-02 -5.071404793e-02 5.80 -4.897434826e-02 -4.897434826e-02 5.82 -4.729794649e-02 -4.729794649e-02 5.84 -4.567888425e-02 -4.567888425e-02 5.86 -4.411147211e-02 -4.411147211e-02 5.88 -4.259031312e-02 -4.259031312e-02 5.90 -4.111031528e-02 -4.111031528e-02 5.92 -3.966669727e-02 -3.966669727e-02 5.94 -3.825499070e-02 -3.825499070e-02 5.96 -3.687104225e-02 -3.687104225e-02 5.98 -3.551101826e-02 -3.551101826e-02 6.00 -3.417141370e-02 -3.417141370e-02