# 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 = AgMo2Ta # 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 3.403854648e+02 3.403854648e+02 1.30 3.153480464e+02 3.153480464e+02 1.32 2.921846149e+02 2.921846149e+02 1.34 2.707366387e+02 2.707366387e+02 1.36 2.508599616e+02 2.508599616e+02 1.38 2.324243068e+02 2.324243068e+02 1.40 2.153129302e+02 2.153129302e+02 1.42 1.994217621e+02 1.994217621e+02 1.44 1.846576939e+02 1.846576939e+02 1.46 1.709363315e+02 1.709363315e+02 1.48 1.581800018e+02 1.581800018e+02 1.50 1.463166748e+02 1.463166748e+02 1.52 1.352798910e+02 1.352798910e+02 1.54 1.250091985e+02 1.250091985e+02 1.56 1.154504111e+02 1.154504111e+02 1.58 1.065552271e+02 1.065552271e+02 1.60 9.828018989e+01 9.828018989e+01 1.62 9.058533165e+01 9.058533165e+01 1.64 8.343295182e+01 8.343295182e+01 1.66 7.678684535e+01 7.678684535e+01 1.68 7.061205419e+01 7.061205419e+01 1.70 6.487500993e+01 6.487500993e+01 1.72 5.954383762e+01 5.954383762e+01 1.74 5.458861960e+01 5.458861960e+01 1.76 4.998153200e+01 4.998153200e+01 1.78 4.569687769e+01 4.569687769e+01 1.80 4.171107644e+01 4.171107644e+01 1.82 3.800307801e+01 3.800307801e+01 1.84 3.455788264e+01 3.455788264e+01 1.86 3.136004866e+01 3.136004866e+01 1.88 2.839708687e+01 2.839708687e+01 1.90 2.565437506e+01 2.565437506e+01 1.92 2.311715118e+01 2.311715118e+01 1.94 2.077142798e+01 2.077142798e+01 1.96 1.860380322e+01 1.860380322e+01 1.98 1.660138185e+01 1.660138185e+01 2.00 1.475179796e+01 1.475179796e+01 2.02 1.304329386e+01 1.304329386e+01 2.04 1.146480742e+01 1.146480742e+01 2.06 1.000602955e+01 1.000602955e+01 2.08 8.657418737e+00 8.657418737e+00 2.10 7.410185045e+00 7.410185045e+00 2.12 6.256267989e+00 6.256267989e+00 2.14 5.188324745e+00 5.188324745e+00 2.16 4.199727059e+00 4.199727059e+00 2.18 3.284551097e+00 3.284551097e+00 2.20 2.437542859e+00 2.437542859e+00 2.22 1.654050943e+00 1.654050943e+00 2.24 9.299310944e-01 9.299310944e-01 2.26 2.614362801e-01 2.614362801e-01 2.28 -3.548908282e-01 -3.548908282e-01 2.30 -9.223081648e-01 -9.223081648e-01 2.32 -1.443937642e+00 -1.443937642e+00 2.34 -1.922797730e+00 -1.922797730e+00 2.36 -2.361807194e+00 -2.361807194e+00 2.38 -2.763766914e+00 -2.763766914e+00 2.40 -3.131330116e+00 -3.131330116e+00 2.42 -3.466972098e+00 -3.466972098e+00 2.44 -3.772968425e+00 -3.772968425e+00 2.46 -4.051386269e+00 -4.051386269e+00 2.48 -4.304089019e+00 -4.304089019e+00 2.50 -4.532750990e+00 -4.532750990e+00 2.52 -4.738853210e+00 -4.738853210e+00 2.54 -4.923675666e+00 -4.923675666e+00 2.56 -5.088541602e+00 -5.088541602e+00 2.58 -5.234669086e+00 -5.234669086e+00 2.60 -5.363170706e+00 -5.363170706e+00 2.62 -5.475072238e+00 -5.475072238e+00 2.64 -5.571326284e+00 -5.571326284e+00 2.66 -5.652642759e+00 -5.652642759e+00 2.68 -5.719821472e+00 -5.719821472e+00 2.70 -5.773814312e+00 -5.773814312e+00 2.72 -5.815395367e+00 -5.815395367e+00 2.74 -5.845310654e+00 -5.845310654e+00 2.76 -5.864296010e+00 -5.864296010e+00 2.78 -5.873080221e+00 -5.873080221e+00 2.80 -5.872386850e+00 -5.872386850e+00 2.82 -5.862828441e+00 -5.862828441e+00 2.84 -5.844593567e+00 -5.844593567e+00 2.86 -5.817824370e+00 -5.817824370e+00 2.88 -5.782734407e+00 -5.782734407e+00 2.90 -5.739605595e+00 -5.739605595e+00 2.92 -5.688786083e+00 -5.688786083e+00 2.94 -5.630686997e+00 -5.630686997e+00 2.96 -5.565775896e+00 -5.565775896e+00 2.98 -5.494565452e+00 -5.494565452e+00 3.00 -5.417596906e+00 -5.417596906e+00 3.02 -5.335419114e+00 -5.335419114e+00 3.04 -5.248565176e+00 -5.248565176e+00 3.06 -5.157529348e+00 -5.157529348e+00 3.08 -5.062747140e+00 -5.062747140e+00 3.10 -4.964581487e+00 -4.964581487e+00 3.12 -4.863437689e+00 -4.863437689e+00 3.14 -4.759469255e+00 -4.759469255e+00 3.16 -4.652602557e+00 -4.652602557e+00 3.18 -4.542723174e+00 -4.542723174e+00 3.20 -4.429693286e+00 -4.429693286e+00 3.22 -4.313373324e+00 -4.313373324e+00 3.24 -4.193661653e+00 -4.193661653e+00 3.26 -4.070529169e+00 -4.070529169e+00 3.28 -3.944017329e+00 -3.944017329e+00 3.30 -3.814256560e+00 -3.814256560e+00 3.32 -3.681482867e+00 -3.681482867e+00 3.34 -3.546048224e+00 -3.546048224e+00 3.36 -3.408423259e+00 -3.408423259e+00 3.38 -3.269191221e+00 -3.269191221e+00 3.40 -3.129032969e+00 -3.129032969e+00 3.42 -2.988703548e+00 -2.988703548e+00 3.44 -2.849001866e+00 -2.849001866e+00 3.46 -2.710735825e+00 -2.710735825e+00 3.48 -2.574685910e+00 -2.574685910e+00 3.50 -2.441570528e+00 -2.441570528e+00 3.52 -2.312016283e+00 -2.312016283e+00 3.54 -2.186535820e+00 -2.186535820e+00 3.56 -2.065514924e+00 -2.065514924e+00 3.58 -1.949209466e+00 -1.949209466e+00 3.60 -1.837751656e+00 -1.837751656e+00 3.62 -1.731164112e+00 -1.731164112e+00 3.64 -1.629379634e+00 -1.629379634e+00 3.66 -1.532264284e+00 -1.532264284e+00 3.68 -1.439641369e+00 -1.439641369e+00 3.70 -1.351314247e+00 -1.351314247e+00 3.72 -1.267086226e+00 -1.267086226e+00 3.74 -1.186776359e+00 -1.186776359e+00 3.76 -1.110230406e+00 -1.110230406e+00 3.78 -1.037326728e+00 -1.037326728e+00 3.80 -9.679772992e-01 -9.679772992e-01 3.82 -9.021244520e-01 -9.021244520e-01 3.84 -8.397342419e-01 -8.397342419e-01 3.86 -7.807875822e-01 -7.807875822e-01 3.88 -7.252703753e-01 -7.252703753e-01 3.90 -6.731638440e-01 -6.731638440e-01 3.92 -6.244360945e-01 -6.244360945e-01 3.94 -5.790356742e-01 -5.790356742e-01 3.96 -5.368875442e-01 -5.368875442e-01 3.98 -4.978915670e-01 -4.978915670e-01 4.00 -4.619232950e-01 -4.619232950e-01 4.02 -4.288366414e-01 -4.288366414e-01 4.04 -3.984679040e-01 -3.984679040e-01 4.06 -3.706405716e-01 -3.706405716e-01 4.08 -3.451702118e-01 -3.451702118e-01 4.10 -3.218697171e-01 -3.218697171e-01 4.12 -3.005539357e-01 -3.005539357e-01 4.14 -2.810430849e-01 -2.810430849e-01 4.16 -2.631659080e-01 -2.631659080e-01 4.18 -2.467620492e-01 -2.467620492e-01 4.20 -2.316836922e-01 -2.316836922e-01 4.22 -2.177965286e-01 -2.177965286e-01 4.24 -2.049801297e-01 -2.049801297e-01 4.26 -1.931277961e-01 -1.931277961e-01 4.28 -1.821459601e-01 -1.821459601e-01 4.30 -1.719532126e-01 -1.719532126e-01 4.32 -1.624790386e-01 -1.624790386e-01 4.34 -1.536623552e-01 -1.536623552e-01 4.36 -1.454499485e-01 -1.454499485e-01 4.38 -1.377949195e-01 -1.377949195e-01 4.40 -1.306552368e-01 -1.306552368e-01 4.42 -1.239924763e-01 -1.239924763e-01 4.44 -1.177708168e-01 -1.177708168e-01 4.46 -1.119563065e-01 -1.119563065e-01 4.48 -1.065162051e-01 -1.065162051e-01 4.50 -1.014191790e-01 -1.014191790e-01 4.52 -9.663511156e-02 -9.663511156e-02 4.54 -9.213498094e-02 -9.213498094e-02 4.56 -8.789100189e-02 -8.789100189e-02 4.58 -8.387678063e-02 -8.387678063e-02 4.60 -8.006745400e-02 -8.006745400e-02 4.62 -7.643979689e-02 -7.643979689e-02 4.64 -7.297229353e-02 -7.297229353e-02 4.66 -6.964517660e-02 -6.964517660e-02 4.68 -6.644044292e-02 -6.644044292e-02 4.70 -6.334185620e-02 -6.334185620e-02 4.72 -6.033494769e-02 -6.033494769e-02 4.74 -5.740702330e-02 -5.740702330e-02 4.76 -5.454718306e-02 -5.454718306e-02 4.78 -5.174635517e-02 -5.174635517e-02 4.80 -4.899734151e-02 -4.899734151e-02 4.82 -4.629487646e-02 -4.629487646e-02 4.84 -4.363567153e-02 -4.363567153e-02 4.86 -4.101845019e-02 -4.101845019e-02 4.88 -3.844394539e-02 -3.844394539e-02 4.90 -3.591484577e-02 -3.591484577e-02 4.92 -3.343567444e-02 -3.343567444e-02 4.94 -3.101258550e-02 -3.101258550e-02 4.96 -2.865307225e-02 -2.865307225e-02 4.98 -2.636560113e-02 -2.636560113e-02 5.00 -2.415917372e-02 -2.415917372e-02 5.02 -2.204284510e-02 -2.204284510e-02 5.04 -2.002523113e-02 -2.002523113e-02 5.06 -1.811404144e-02 -1.811404144e-02 5.08 -1.631556868e-02 -1.631556868e-02 5.10 -1.463434818e-02 -1.463434818e-02 5.12 -1.307349524e-02 -1.307349524e-02 5.14 -1.163419458e-02 -1.163419458e-02 5.16 -1.031571162e-02 -1.031571162e-02 5.18 -9.115537959e-03 -9.115537959e-03 5.20 -8.029615253e-03 -8.029615253e-03 5.22 -7.052609843e-03 -7.052609843e-03 5.24 -6.178211142e-03 -6.178211142e-03 5.26 -5.399429785e-03 -5.399429785e-03 5.28 -4.708876678e-03 -4.708876678e-03 5.30 -4.099009859e-03 -4.099009859e-03 5.32 -3.562341709e-03 -3.562341709e-03 5.34 -3.091603839e-03 -3.091603839e-03 5.36 -2.679870718e-03 -2.679870718e-03 5.38 -2.320645613e-03 -2.320645613e-03 5.40 -2.007913913e-03 -2.007913913e-03 5.42 -1.736169520e-03 -1.736169520e-03 5.44 -1.500419994e-03 -1.500419994e-03 5.46 -1.296175686e-03 -1.296175686e-03 5.48 -1.119427472e-03 -1.119427472e-03 5.50 -9.666169147e-04 -9.666169147e-04 5.52 -8.346019548e-04 -8.346019548e-04 5.54 -7.206204936e-04 -7.206204936e-04 5.56 -6.222536635e-04 -6.222536635e-04 5.58 -5.373900351e-04 -5.373900351e-04 5.60 -4.641916170e-04 -4.641916170e-04 5.62 -4.010621752e-04 -4.010621752e-04 5.64 -3.466181554e-04 -3.466181554e-04 5.66 -2.996623158e-04 -2.996623158e-04 5.68 -2.591600490e-04 -2.591600490e-04 5.70 -2.242182885e-04 -2.242182885e-04 5.72 -1.940668415e-04 -1.940668415e-04 5.74 -1.680419598e-04 -1.680419598e-04 5.76 -1.455719454e-04 -1.455719454e-04 5.78 -1.261645866e-04 -1.261645866e-04 5.80 -1.093962294e-04 -1.093962294e-04 5.82 -9.490229231e-05 -9.490229231e-05 5.84 -8.236905672e-05 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