# 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 = AgNi2W # 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 2.199726412e+02 2.199726412e+02 1.30 2.023497154e+02 2.023497154e+02 1.32 1.861227017e+02 1.861227017e+02 1.34 1.711747094e+02 1.711747094e+02 1.36 1.573986695e+02 1.573986695e+02 1.38 1.446970024e+02 1.446970024e+02 1.40 1.329806078e+02 1.329806078e+02 1.42 1.221681494e+02 1.221681494e+02 1.44 1.121856397e+02 1.121856397e+02 1.46 1.029658427e+02 1.029658427e+02 1.48 9.444753454e+01 9.444753454e+01 1.50 8.657497531e+01 8.657497531e+01 1.52 7.929770211e+01 7.929770211e+01 1.54 7.257035932e+01 7.257035932e+01 1.56 6.635218801e+01 6.635218801e+01 1.58 6.060617642e+01 6.060617642e+01 1.60 5.529827567e+01 5.529827567e+01 1.62 5.039698003e+01 5.039698003e+01 1.64 4.587314796e+01 4.587314796e+01 1.66 4.169977177e+01 4.169977177e+01 1.68 3.785172785e+01 3.785172785e+01 1.70 3.430577507e+01 3.430577507e+01 1.72 3.103920485e+01 3.103920485e+01 1.74 2.803015310e+01 2.803015310e+01 1.76 2.525882182e+01 2.525882182e+01 1.78 2.270604729e+01 2.270604729e+01 1.80 2.035330119e+01 2.035330119e+01 1.82 1.818375250e+01 1.818375250e+01 1.84 1.618242841e+01 1.618242841e+01 1.86 1.433619021e+01 1.433619021e+01 1.88 1.263353309e+01 1.263353309e+01 1.90 1.106428061e+01 1.106428061e+01 1.92 9.619259393e+00 9.619259393e+00 1.94 8.290023559e+00 8.290023559e+00 1.96 7.068668917e+00 7.068668917e+00 1.98 5.947737591e+00 5.947737591e+00 2.00 4.920178502e+00 4.920178502e+00 2.02 3.979319956e+00 3.979319956e+00 2.04 3.118829939e+00 3.118829939e+00 2.06 2.332666934e+00 2.332666934e+00 2.08 1.615039886e+00 1.615039886e+00 2.10 9.603963711e-01 9.603963711e-01 2.12 3.634472683e-01 3.634472683e-01 2.14 -1.807790879e-01 -1.807790879e-01 2.16 -6.768729470e-01 -6.768729470e-01 2.18 -1.128993193e+00 -1.128993193e+00 2.20 -1.540849287e+00 -1.540849287e+00 2.22 -1.915720351e+00 -1.915720351e+00 2.24 -2.256396246e+00 -2.256396246e+00 2.26 -2.565516608e+00 -2.565516608e+00 2.28 -2.845592854e+00 -2.845592854e+00 2.30 -3.098910424e+00 -3.098910424e+00 2.32 -3.327596141e+00 -3.327596141e+00 2.34 -3.533656292e+00 -3.533656292e+00 2.36 -3.718931907e+00 -3.718931907e+00 2.38 -3.884791540e+00 -3.884791540e+00 2.40 -4.032408124e+00 -4.032408124e+00 2.42 -4.162910745e+00 -4.162910745e+00 2.44 -4.277351607e+00 -4.277351607e+00 2.46 -4.376703251e+00 -4.376703251e+00 2.48 -4.461873679e+00 -4.461873679e+00 2.50 -4.533725315e+00 -4.533725315e+00 2.52 -4.593088956e+00 -4.593088956e+00 2.54 -4.640770140e+00 -4.640770140e+00 2.56 -4.677549569e+00 -4.677549569e+00 2.58 -4.704180592e+00 -4.704180592e+00 2.60 -4.721386639e+00 -4.721386639e+00 2.62 -4.729858379e+00 -4.729858379e+00 2.64 -4.730250419e+00 -4.730250419e+00 2.66 -4.723188117e+00 -4.723188117e+00 2.68 -4.709270258e+00 -4.709270258e+00 2.70 -4.689072648e+00 -4.689072648e+00 2.72 -4.663151076e+00 -4.663151076e+00 2.74 -4.632041044e+00 -4.632041044e+00 2.76 -4.596233358e+00 -4.596233358e+00 2.78 -4.555986259e+00 -4.555986259e+00 2.80 -4.511447885e+00 -4.511447885e+00 2.82 -4.462787170e+00 -4.462787170e+00 2.84 -4.410257371e+00 -4.410257371e+00 2.86 -4.354101776e+00 -4.354101776e+00 2.88 -4.294271250e+00 -4.294271250e+00 2.90 -4.230745148e+00 -4.230745148e+00 2.92 -4.163551377e+00 -4.163551377e+00 2.94 -4.092773619e+00 -4.092773619e+00 2.96 -4.018569387e+00 -4.018569387e+00 2.98 -3.941184750e+00 -3.941184750e+00 3.00 -3.860923944e+00 -3.860923944e+00 3.02 -3.778137617e+00 -3.778137617e+00 3.04 -3.693209997e+00 -3.693209997e+00 3.06 -3.606541739e+00 -3.606541739e+00 3.08 -3.518530237e+00 -3.518530237e+00 3.10 -3.429549824e+00 -3.429549824e+00 3.12 -3.339934483e+00 -3.339934483e+00 3.14 -3.249965309e+00 -3.249965309e+00 3.16 -3.159864119e+00 -3.159864119e+00 3.18 -3.069793461e+00 -3.069793461e+00 3.20 -2.979862259e+00 -2.979862259e+00 3.22 -2.890135669e+00 -2.890135669e+00 3.24 -2.800647480e+00 -2.800647480e+00 3.26 -2.711413596e+00 -2.711413596e+00 3.28 -2.622445406e+00 -2.622445406e+00 3.30 -2.533762245e+00 -2.533762245e+00 3.32 -2.445402362e+00 -2.445402362e+00 3.34 -2.357431953e+00 -2.357431953e+00 3.36 -2.269951844e+00 -2.269951844e+00 3.38 -2.183101411e+00 -2.183101411e+00 3.40 -2.097059354e+00 -2.097059354e+00 3.42 -2.012041068e+00 -2.012041068e+00 3.44 -1.928292572e+00 -1.928292572e+00 3.46 -1.846081282e+00 -1.846081282e+00 3.48 -1.765684254e+00 -1.765684254e+00 3.50 -1.687374910e+00 -1.687374910e+00 3.52 -1.611409426e+00 -1.611409426e+00 3.54 -1.538014109e+00 -1.538014109e+00 3.56 -1.467374891e+00 -1.467374891e+00 3.58 -1.399629850e+00 -1.399629850e+00 3.60 -1.334865230e+00 -1.334865230e+00 3.62 -1.273115029e+00 -1.273115029e+00 3.64 -1.214363843e+00 -1.214363843e+00 3.66 -1.158552377e+00 -1.158552377e+00 3.68 -1.105584893e+00 -1.105584893e+00 3.70 -1.055337822e+00 -1.055337822e+00 3.72 -1.007668808e+00 -1.007668808e+00 3.74 -9.624255676e-01 -9.624255676e-01 3.76 -9.194540284e-01 -9.194540284e-01 3.78 -8.786053302e-01 -8.786053302e-01 3.80 -8.397413273e-01 -8.397413273e-01 3.82 -8.027383269e-01 -8.027383269e-01 3.84 -7.674888895e-01 -7.674888895e-01 3.86 -7.339016637e-01 -7.339016637e-01 3.88 -7.018994243e-01 -7.018994243e-01 3.90 -6.714157008e-01 -6.714157008e-01 3.92 -6.423905800e-01 -6.423905800e-01 3.94 -6.147663782e-01 -6.147663782e-01 3.96 -5.884838432e-01 -5.884838432e-01 3.98 -5.634794053e-01 -5.634794053e-01 4.00 -5.396837293e-01 -5.396837293e-01 4.02 -5.170215542e-01 -5.170215542e-01 4.04 -4.954125937e-01 -4.954125937e-01 4.06 -4.747731441e-01 -4.747731441e-01 4.08 -4.550180329e-01 -4.550180329e-01 4.10 -4.360625975e-01 -4.360625975e-01 4.12 -4.178244934e-01 -4.178244934e-01 4.14 -4.002252095e-01 -4.002252095e-01 4.16 -3.831912950e-01 -3.831912950e-01 4.18 -3.666553150e-01 -3.666553150e-01 4.20 -3.505566032e-01 -3.505566032e-01 4.22 -3.348418754e-01 -3.348418754e-01 4.24 -3.194657556e-01 -3.194657556e-01 4.26 -3.043912474e-01 -3.043912474e-01 4.28 -2.895901616e-01 -2.895901616e-01 4.30 -2.750434905e-01 -2.750434905e-01 4.32 -2.607416996e-01 -2.607416996e-01 4.34 -2.466848906e-01 -2.466848906e-01 4.36 -2.328827739e-01 -2.328827739e-01 4.38 -2.193543706e-01 -2.193543706e-01 4.40 -2.061273551e-01 -2.061273551e-01 4.42 -1.932369543e-01 -1.932369543e-01 4.44 -1.807243373e-01 -1.807243373e-01 4.46 -1.686344864e-01 -1.686344864e-01 4.48 -1.570136130e-01 -1.570136130e-01 4.50 -1.459062741e-01 -1.459062741e-01 4.52 -1.353524262e-01 -1.353524262e-01 4.54 -1.253847062e-01 -1.253847062e-01 4.56 -1.160262251e-01 -1.160262251e-01 4.58 -1.072891055e-01 -1.072891055e-01 4.60 -9.917389132e-02 -9.917389132e-02 4.62 -9.166983501e-02 -9.166983501e-02 4.64 -8.475595660e-02 -8.475595660e-02 4.66 -7.840268095e-02 -7.840268095e-02 4.68 -7.257382468e-02 -7.257382468e-02 4.70 -6.722871042e-02 -6.722871042e-02 4.72 -6.232420288e-02 -6.232420288e-02 4.74 -5.781622944e-02 -5.781622944e-02 4.76 -5.366189208e-02 -5.366189208e-02 4.78 -4.982096701e-02 -4.982096701e-02 4.80 -4.625615173e-02 -4.625615173e-02 4.82 -4.293371755e-02 -4.293371755e-02 4.84 -3.982396020e-02 -3.982396020e-02 4.86 -3.690141761e-02 -3.690141761e-02 4.88 -3.414489268e-02 -3.414489268e-02 4.90 -3.153732205e-02 -3.153732205e-02 4.92 -2.906551860e-02 -2.906551860e-02 4.94 -2.671980893e-02 -2.671980893e-02 4.96 -2.449358411e-02 -2.449358411e-02 4.98 -2.238278429e-02 -2.238278429e-02 5.00 -2.038533726e-02 -2.038533726e-02 5.02 -1.850057719e-02 -1.850057719e-02 5.04 -1.672867246e-02 -1.672867246e-02 5.06 -1.507009299e-02 -1.507009299e-02 5.08 -1.352504152e-02 -1.352504152e-02 5.10 -1.209309939e-02 -1.209309939e-02 5.12 -1.077337378e-02 -1.077337378e-02 5.14 -9.563978482e-03 -9.563978482e-03 5.16 -8.461966989e-03 -8.461966989e-03 5.18 -7.463376858e-03 -7.463376858e-03 5.20 -6.563346189e-03 -6.563346189e-03 5.22 -5.756279110e-03 -5.756279110e-03 5.24 -5.036037647e-03 -5.036037647e-03 5.26 -4.396140034e-03 -4.396140034e-03 5.28 -3.829949630e-03 -3.829949630e-03 5.30 -3.330843328e-03 -3.330843328e-03 5.32 -2.892352839e-03 -2.892352839e-03 5.34 -2.508276162e-03 -2.508276162e-03 5.36 -2.172759516e-03 -2.172759516e-03 5.38 -1.880352108e-03 -1.880352108e-03 5.40 -1.626037336e-03 -1.626037336e-03 5.42 -1.405244557e-03 -1.405244557e-03 5.44 -1.213845625e-03 -1.213845625e-03 5.46 -1.048140066e-03 -1.048140066e-03 5.48 -9.048323211e-04 -9.048323211e-04 5.50 -7.810039046e-04 -7.810039046e-04 5.52 -6.740827536e-04 -6.740827536e-04 5.54 -5.818115363e-04 -5.818115363e-04 5.56 -5.022162063e-04 -5.022162063e-04 5.58 -4.335757166e-04 -4.335757166e-04 5.60 -3.743934912e-04 -3.743934912e-04 5.62 -3.233710116e-04 -3.233710116e-04 5.64 -2.793836946e-04 -2.793836946e-04 5.66 -2.414591032e-04 -2.414591032e-04 5.68 -2.087574421e-04 -2.087574421e-04 5.70 -1.805542277e-04 -1.805542277e-04 5.72 -1.562249848e-04 -1.562249848e-04 5.74 -1.352318013e-04 -1.352318013e-04 5.76 -1.171115669e-04 -1.171115669e-04 5.78 -1.014657217e-04 -1.014657217e-04 5.80 -8.795134765e-05 -8.795134765e-05 5.82 -7.627344534e-05 -7.627344534e-05 5.84 -6.617825441e-05 -6.617825441e-05 5.86 -5.744748484e-05 -5.744748484e-05 5.88 -4.989334290e-05 -4.989334290e-05 5.90 -4.335424712e-05 -4.335424712e-05 5.92 -3.769114199e-05 -3.769114199e-05 5.94 -3.278432843e-05 -3.278432843e-05 5.96 -2.853074017e-05 -2.853074017e-05 5.98 -2.484160436e-05 -2.484160436e-05 6.00 -2.164043272e-05 -2.164043272e-05