# 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 = MoPd2W # 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 3.948194838e+02 3.948194838e+02 1.30 3.661652877e+02 3.661652877e+02 1.32 3.396057638e+02 3.396057638e+02 1.34 3.149688980e+02 3.149688980e+02 1.36 2.921045010e+02 2.921045010e+02 1.38 2.708801857e+02 2.708801857e+02 1.40 2.511767718e+02 2.511767718e+02 1.42 2.328838144e+02 2.328838144e+02 1.44 2.158969341e+02 2.158969341e+02 1.46 2.001173932e+02 2.001173932e+02 1.48 1.854526890e+02 1.854526890e+02 1.50 1.718170147e+02 1.718170147e+02 1.52 1.591313594e+02 1.591313594e+02 1.54 1.473233505e+02 1.473233505e+02 1.56 1.363268187e+02 1.363268187e+02 1.58 1.260810732e+02 1.260810732e+02 1.60 1.165300993e+02 1.165300993e+02 1.62 1.076219642e+02 1.076219642e+02 1.64 9.930851609e+01 9.930851609e+01 1.66 9.154524311e+01 9.154524311e+01 1.68 8.429117124e+01 8.429117124e+01 1.70 7.750880585e+01 7.750880585e+01 1.72 7.116417351e+01 7.116417351e+01 1.74 6.522698505e+01 6.522698505e+01 1.76 5.967083669e+01 5.967083669e+01 1.78 5.447349842e+01 5.447349842e+01 1.80 4.961649685e+01 4.961649685e+01 1.82 4.508524094e+01 4.508524094e+01 1.84 4.086812229e+01 4.086812229e+01 1.86 3.697948153e+01 3.697948153e+01 1.88 3.340662279e+01 3.340662279e+01 1.90 3.012636062e+01 3.012636062e+01 1.92 2.711549500e+01 2.711549500e+01 1.94 2.435157596e+01 2.435157596e+01 1.96 2.181354114e+01 2.181354114e+01 1.98 1.948206622e+01 1.948206622e+01 2.00 1.733962408e+01 1.733962408e+01 2.02 1.537034482e+01 1.537034482e+01 2.04 1.355978507e+01 1.355978507e+01 2.06 1.189468851e+01 1.189468851e+01 2.08 1.036278942e+01 1.036278942e+01 2.10 8.952689007e+00 8.952689007e+00 2.12 7.653813675e+00 7.653813675e+00 2.14 6.456440991e+00 6.456440991e+00 2.16 5.351758188e+00 5.351758188e+00 2.18 4.331910034e+00 4.331910034e+00 2.20 3.390002308e+00 3.390002308e+00 2.22 2.520047925e+00 2.520047925e+00 2.24 1.716863881e+00 1.716863881e+00 2.26 9.759397446e-01 9.759397446e-01 2.28 2.933003382e-01 2.933003382e-01 2.30 -3.346203185e-01 -3.346203185e-01 2.32 -9.110848572e-01 -9.110848572e-01 2.34 -1.439135969e+00 -1.439135969e+00 2.36 -1.921659045e+00 -1.921659045e+00 2.38 -2.361390582e+00 -2.361390582e+00 2.40 -2.760967908e+00 -2.760967908e+00 2.42 -3.123108541e+00 -3.123108541e+00 2.44 -3.450461717e+00 -3.450461717e+00 2.46 -3.745597103e+00 -3.745597103e+00 2.48 -4.010987791e+00 -4.010987791e+00 2.50 -4.248978590e+00 -4.248978590e+00 2.52 -4.461743781e+00 -4.461743781e+00 2.54 -4.651150466e+00 -4.651150466e+00 2.56 -4.818470926e+00 -4.818470926e+00 2.58 -4.964952383e+00 -4.964952383e+00 2.60 -5.091792411e+00 -5.091792411e+00 2.62 -5.200029403e+00 -5.200029403e+00 2.64 -5.290580441e+00 -5.290580441e+00 2.66 -5.364280065e+00 -5.364280065e+00 2.68 -5.421913545e+00 -5.421913545e+00 2.70 -5.464230199e+00 -5.464230199e+00 2.72 -5.491793968e+00 -5.491793968e+00 2.74 -5.505062223e+00 -5.505062223e+00 2.76 -5.504538769e+00 -5.504538769e+00 2.78 -5.490771295e+00 -5.490771295e+00 2.80 -5.464347352e+00 -5.464347352e+00 2.82 -5.425894713e+00 -5.425894713e+00 2.84 -5.376086424e+00 -5.376086424e+00 2.86 -5.315666639e+00 -5.315666639e+00 2.88 -5.246007668e+00 -5.246007668e+00 2.90 -5.167989676e+00 -5.167989676e+00 2.92 -5.082231008e+00 -5.082231008e+00 2.94 -4.989473780e+00 -4.989473780e+00 2.96 -4.890561055e+00 -4.890561055e+00 2.98 -4.786404288e+00 -4.786404288e+00 3.00 -4.677943194e+00 -4.677943194e+00 3.02 -4.566102626e+00 -4.566102626e+00 3.04 -4.451794428e+00 -4.451794428e+00 3.06 -4.335905498e+00 -4.335905498e+00 3.08 -4.219186381e+00 -4.219186381e+00 3.10 -4.102229194e+00 -4.102229194e+00 3.12 -3.985465837e+00 -3.985465837e+00 3.14 -3.869176708e+00 -3.869176708e+00 3.16 -3.753508080e+00 -3.753508080e+00 3.18 -3.638495719e+00 -3.638495719e+00 3.20 -3.524092146e+00 -3.524092146e+00 3.22 -3.410195256e+00 -3.410195256e+00 3.24 -3.296676466e+00 -3.296676466e+00 3.26 -3.183407147e+00 -3.183407147e+00 3.28 -3.070282468e+00 -3.070282468e+00 3.30 -2.957242077e+00 -2.957242077e+00 3.32 -2.844287081e+00 -2.844287081e+00 3.34 -2.731492750e+00 -2.731492750e+00 3.36 -2.619016298e+00 -2.619016298e+00 3.38 -2.507099096e+00 -2.507099096e+00 3.40 -2.396062798e+00 -2.396062798e+00 3.42 -2.286299244e+00 -2.286299244e+00 3.44 -2.178254471e+00 -2.178254471e+00 3.46 -2.072407848e+00 -2.072407848e+00 3.48 -1.969247944e+00 -1.969247944e+00 3.50 -1.869247230e+00 -1.869247230e+00 3.52 -1.772837945e+00 -1.772837945e+00 3.54 -1.680391298e+00 -1.680391298e+00 3.56 -1.592201747e+00 -1.592201747e+00 3.58 -1.508477404e+00 -1.508477404e+00 3.60 -1.429336806e+00 -1.429336806e+00 3.62 -1.354811562e+00 -1.354811562e+00 3.64 -1.284853827e+00 -1.284853827e+00 3.66 -1.219347208e+00 -1.219347208e+00 3.68 -1.158119634e+00 -1.158119634e+00 3.70 -1.100956856e+00 -1.100956856e+00 3.72 -1.047615457e+00 -1.047615457e+00 3.74 -9.978346241e-01 -9.978346241e-01 3.76 -9.513461856e-01 -9.513461856e-01 3.78 -9.078827526e-01 -9.078827526e-01 3.80 -8.671839713e-01 -8.671839713e-01 3.82 -8.290010641e-01 -8.290010641e-01 3.84 -7.930999095e-01 -7.930999095e-01 3.86 -7.592629518e-01 -7.592629518e-01 3.88 -7.272902265e-01 -7.272902265e-01 3.90 -6.969997618e-01 -6.969997618e-01 3.92 -6.682275754e-01 -6.682275754e-01 3.94 -6.408274344e-01 -6.408274344e-01 3.96 -6.146704905e-01 -6.146704905e-01 3.98 -5.896448518e-01 -5.896448518e-01 4.00 -5.656550941e-01 -5.656550941e-01 4.02 -5.426216696e-01 -5.426216696e-01 4.04 -5.204801345e-01 -5.204801345e-01 4.06 -4.991800953e-01 -4.991800953e-01 4.08 -4.786837850e-01 -4.786837850e-01 4.10 -4.589642074e-01 -4.589642074e-01 4.12 -4.400028631e-01 -4.400028631e-01 4.14 -4.217871294e-01 -4.217871294e-01 4.16 -4.043074793e-01 -4.043074793e-01 4.18 -3.875547535e-01 -3.875547535e-01 4.20 -3.715177399e-01 -3.715177399e-01 4.22 -3.561812574e-01 -3.561812574e-01 4.24 -3.415249174e-01 -3.415249174e-01 4.26 -3.275225944e-01 -3.275225944e-01 4.28 -3.141425556e-01 -3.141425556e-01 4.30 -3.013480812e-01 -3.013480812e-01 4.32 -2.890984440e-01 -2.890984440e-01 4.34 -2.773500418e-01 -2.773500418e-01 4.36 -2.660574275e-01 -2.660574275e-01 4.38 -2.551750517e-01 -2.551750517e-01 4.40 -2.446577886e-01 -2.446577886e-01 4.42 -2.344616909e-01 -2.344616909e-01 4.44 -2.245446966e-01 -2.245446966e-01 4.46 -2.148672053e-01 -2.148672053e-01 4.48 -2.053925705e-01 -2.053925705e-01 4.50 -1.960875558e-01 -1.960875558e-01 4.52 -1.869227937e-01 -1.869227937e-01 4.54 -1.778732741e-01 -1.778732741e-01 4.56 -1.689188727e-01 -1.689188727e-01 4.58 -1.600449118e-01 -1.600449118e-01 4.60 -1.512427254e-01 -1.512427254e-01 4.62 -1.425101787e-01 -1.425101787e-01 4.64 -1.338520763e-01 -1.338520763e-01 4.66 -1.252803782e-01 -1.252803782e-01 4.68 -1.168141386e-01 -1.168141386e-01 4.70 -1.084790928e-01 -1.084790928e-01 4.72 -1.003068362e-01 -1.003068362e-01 4.74 -9.233358274e-02 -9.233358274e-02 4.76 -8.459853520e-02 -8.459853520e-02 4.78 -7.714195621e-02 -7.714195621e-02 4.80 -7.000307798e-02 -7.000307798e-02 4.82 -6.321802407e-02 -6.321802407e-02 4.84 -5.681792038e-02 -5.681792038e-02 4.86 -5.082736621e-02 -5.082736621e-02 4.88 -4.526338289e-02 -4.526338289e-02 4.90 -4.013491059e-02 -4.013491059e-02 4.92 -3.544283562e-02 -3.544283562e-02 4.94 -3.118050416e-02 -3.118050416e-02 4.96 -2.733460491e-02 -2.733460491e-02 4.98 -2.388632067e-02 -2.388632067e-02 5.00 -2.081260110e-02 -2.081260110e-02 5.02 -1.808744062e-02 -1.808744062e-02 5.04 -1.568277285e-02 -1.568277285e-02 5.06 -1.357002949e-02 -1.357002949e-02 5.08 -1.172127384e-02 -1.172127384e-02 5.10 -1.010926832e-02 -1.010926832e-02 5.12 -8.708049541e-03 -8.708049541e-03 5.14 -7.493319380e-03 -7.493319380e-03 5.16 -6.442679285e-03 -6.442679285e-03 5.18 -5.535739358e-03 -5.535739358e-03 5.20 -4.754132212e-03 -4.754132212e-03 5.22 -4.081457874e-03 -4.081457874e-03 5.24 -3.503181739e-03 -3.503181739e-03 5.26 -3.006503220e-03 -3.006503220e-03 5.28 -2.580208682e-03 -2.580208682e-03 5.30 -2.214518728e-03 -2.214518728e-03 5.32 -1.900937002e-03 -1.900937002e-03 5.34 -1.632105326e-03 -1.632105326e-03 5.36 -1.401668212e-03 -1.401668212e-03 5.38 -1.204148410e-03 -1.204148410e-03 5.40 -1.034834227e-03 -1.034834227e-03 5.42 -8.896786375e-04 -8.896786375e-04 5.44 -7.652097671e-04 -7.652097671e-04 5.46 -6.584520634e-04 -6.584520634e-04 5.48 -5.668572874e-04 -5.668572874e-04 5.50 -4.882444088e-04 -4.882444088e-04 5.52 -4.207474688e-04 -4.207474688e-04 5.54 -3.627705106e-04 -3.627705106e-04 5.56 -3.129487270e-04 -3.129487270e-04 5.58 -2.701150456e-04 -2.701150456e-04 5.60 -2.332714457e-04 -2.332714457e-04 5.62 -2.015643746e-04 -2.015643746e-04 5.64 -1.742637035e-04 -1.742637035e-04 5.66 -1.507447317e-04 -1.507447317e-04 5.68 -1.304728089e-04 -1.304728089e-04 5.70 -1.129902032e-04 -1.129902032e-04 5.72 -9.790489034e-05 -9.790489034e-05 5.74 -8.488098728e-05 -8.488098728e-05 5.76 -7.363058936e-05 -7.363058936e-05 5.78 -6.390680583e-05 -6.390680583e-05 5.80 -5.549781776e-05 -5.549781776e-05 5.82 -4.822180760e-05 -4.822180760e-05 5.84 -4.192263195e-05 -4.192263195e-05 5.86 -3.646612757e-05 -3.646612757e-05 5.88 -3.173695730e-05 -3.173695730e-05 5.90 -2.763591597e-05 -2.763591597e-05 5.92 -2.407762852e-05 -2.407762852e-05 5.94 -2.098858234e-05 -2.098858234e-05 5.96 -1.830544477e-05 -1.830544477e-05 5.98 -1.597362366e-05 -1.597362366e-05 6.00 -1.394603540e-05 -1.394603540e-05