# 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 = AgFe2Mo # 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 2.457865422e+02 2.457865422e+02 1.30 2.255660964e+02 2.255660964e+02 1.32 2.069842161e+02 2.069842161e+02 1.34 1.898971505e+02 1.898971505e+02 1.36 1.741745214e+02 1.741745214e+02 1.38 1.596985479e+02 1.596985479e+02 1.40 1.463634265e+02 1.463634265e+02 1.42 1.340746981e+02 1.340746981e+02 1.44 1.227482988e+02 1.227482988e+02 1.46 1.123092341e+02 1.123092341e+02 1.48 1.026901392e+02 1.026901392e+02 1.50 9.382996180e+01 9.382996180e+01 1.52 8.567278405e+01 8.567278405e+01 1.54 7.816677099e+01 7.816677099e+01 1.56 7.126336645e+01 7.126336645e+01 1.58 6.491683877e+01 6.491683877e+01 1.60 5.908410880e+01 5.908410880e+01 1.62 5.372469780e+01 5.372469780e+01 1.64 4.880068545e+01 4.880068545e+01 1.66 4.427666455e+01 4.427666455e+01 1.68 4.012174664e+01 4.012174664e+01 1.70 3.630695888e+01 3.630695888e+01 1.72 3.280542381e+01 3.280542381e+01 1.74 2.959094246e+01 2.959094246e+01 1.76 2.663901897e+01 2.663901897e+01 1.78 2.392706048e+01 2.392706048e+01 1.80 2.143441395e+01 2.143441395e+01 1.82 1.914246032e+01 1.914246032e+01 1.84 1.703467206e+01 1.703467206e+01 1.86 1.509654617e+01 1.509654617e+01 1.88 1.331537771e+01 1.331537771e+01 1.90 1.167990616e+01 1.167990616e+01 1.92 1.017991401e+01 1.017991401e+01 1.94 8.805866199e+00 8.805866199e+00 1.96 7.548654981e+00 7.548654981e+00 1.98 6.399473638e+00 6.399473638e+00 2.00 5.349803674e+00 5.349803674e+00 2.02 4.391475545e+00 4.391475545e+00 2.04 3.516755747e+00 3.516755747e+00 2.06 2.718420603e+00 2.718420603e+00 2.08 1.989795656e+00 1.989795656e+00 2.10 1.324760955e+00 1.324760955e+00 2.12 7.177362643e-01 7.177362643e-01 2.14 1.636610304e-01 1.636610304e-01 2.16 -3.420243194e-01 -3.420243194e-01 2.18 -8.033981429e-01 -8.033981429e-01 2.20 -1.224084745e+00 -1.224084745e+00 2.22 -1.607293280e+00 -1.607293280e+00 2.24 -1.955867710e+00 -1.955867710e+00 2.26 -2.272342666e+00 -2.272342666e+00 2.28 -2.558998329e+00 -2.558998329e+00 2.30 -2.817891419e+00 -2.817891419e+00 2.32 -3.050759911e+00 -3.050759911e+00 2.34 -3.259527351e+00 -3.259527351e+00 2.36 -3.446037912e+00 -3.446037912e+00 2.38 -3.611977140e+00 -3.611977140e+00 2.40 -3.758897299e+00 -3.758897299e+00 2.42 -3.888236335e+00 -3.888236335e+00 2.44 -4.001322334e+00 -4.001322334e+00 2.46 -4.099201844e+00 -4.099201844e+00 2.48 -4.182729218e+00 -4.182729218e+00 2.50 -4.252770889e+00 -4.252770889e+00 2.52 -4.310200935e+00 -4.310200935e+00 2.54 -4.355889900e+00 -4.355889900e+00 2.56 -4.390693971e+00 -4.390693971e+00 2.58 -4.415444296e+00 -4.415444296e+00 2.60 -4.430936378e+00 -4.430936378e+00 2.62 -4.437919577e+00 -4.437919577e+00 2.64 -4.437088709e+00 -4.437088709e+00 2.66 -4.429080203e+00 -4.429080203e+00 2.68 -4.414446890e+00 -4.414446890e+00 2.70 -4.393675193e+00 -4.393675193e+00 2.72 -4.367193406e+00 -4.367193406e+00 2.74 -4.335380329e+00 -4.335380329e+00 2.76 -4.298651897e+00 -4.298651897e+00 2.78 -4.257370227e+00 -4.257370227e+00 2.80 -4.211560659e+00 -4.211560659e+00 2.82 -4.160998492e+00 -4.160998492e+00 2.84 -4.105456088e+00 -4.105456088e+00 2.86 -4.044809316e+00 -4.044809316e+00 2.88 -3.979040702e+00 -3.979040702e+00 2.90 -3.908251218e+00 -3.908251218e+00 2.92 -3.832627399e+00 -3.832627399e+00 2.94 -3.752425830e+00 -3.752425830e+00 2.96 -3.667962031e+00 -3.667962031e+00 2.98 -3.579597692e+00 -3.579597692e+00 3.00 -3.487726537e+00 -3.487726537e+00 3.02 -3.392759278e+00 -3.392759278e+00 3.04 -3.295108406e+00 -3.295108406e+00 3.06 -3.195173941e+00 -3.195173941e+00 3.08 -3.093331494e+00 -3.093331494e+00 3.10 -2.989924128e+00 -2.989924128e+00 3.12 -2.885259265e+00 -2.885259265e+00 3.14 -2.779611281e+00 -2.779611281e+00 3.16 -2.673229514e+00 -2.673229514e+00 3.18 -2.566350370e+00 -2.566350370e+00 3.20 -2.459211380e+00 -2.459211380e+00 3.22 -2.352064669e+00 -2.352064669e+00 3.24 -2.245187481e+00 -2.245187481e+00 3.26 -2.138888076e+00 -2.138888076e+00 3.28 -2.033506264e+00 -2.033506264e+00 3.30 -1.929408845e+00 -1.929408845e+00 3.32 -1.826981060e+00 -1.826981060e+00 3.34 -1.726615627e+00 -1.726615627e+00 3.36 -1.628701030e+00 -1.628701030e+00 3.38 -1.533610405e+00 -1.533610405e+00 3.40 -1.441691836e+00 -1.441691836e+00 3.42 -1.353260329e+00 -1.353260329e+00 3.44 -1.268591281e+00 -1.268591281e+00 3.46 -1.187915122e+00 -1.187915122e+00 3.48 -1.111412883e+00 -1.111412883e+00 3.50 -1.039212683e+00 -1.039212683e+00 3.52 -9.713873658e-01 -9.713873658e-01 3.54 -9.079536820e-01 -9.079536820e-01 3.56 -8.488733805e-01 -8.488733805e-01 3.58 -7.940563931e-01 -7.940563931e-01 3.60 -7.433660499e-01 -7.433660499e-01 3.62 -6.966259872e-01 -6.966259872e-01 3.64 -6.536282135e-01 -6.536282135e-01 3.66 -6.141417026e-01 -6.141417026e-01 3.68 -5.779208927e-01 -5.779208927e-01 3.70 -5.447135662e-01 -5.447135662e-01 3.72 -5.142677414e-01 -5.142677414e-01 3.74 -4.863372910e-01 -4.863372910e-01 3.76 -4.606861270e-01 -4.606861270e-01 3.78 -4.370921970e-01 -4.370921970e-01 3.80 -4.153488344e-01 -4.153488344e-01 3.82 -3.952657865e-01 -3.952657865e-01 3.84 -3.766695905e-01 -3.766695905e-01 3.86 -3.594033280e-01 -3.594033280e-01 3.88 -3.433259398e-01 -3.433259398e-01 3.90 -3.283112484e-01 -3.283112484e-01 3.92 -3.142468115e-01 -3.142468115e-01 3.94 -3.010326988e-01 -3.010326988e-01 3.96 -2.885802571e-01 -2.885802571e-01 3.98 -2.768109241e-01 -2.768109241e-01 4.00 -2.656551159e-01 -2.656551159e-01 4.02 -2.550512176e-01 -2.550512176e-01 4.04 -2.449446881e-01 -2.449446881e-01 4.06 -2.352872887e-01 -2.352872887e-01 4.08 -2.260364355e-01 -2.260364355e-01 4.10 -2.171546738e-01 -2.171546738e-01 4.12 -2.086092750e-01 -2.086092750e-01 4.14 -2.003719232e-01 -2.003719232e-01 4.16 -1.924185029e-01 -1.924185029e-01 4.18 -1.847289416e-01 -1.847289416e-01 4.20 -1.772870841e-01 -1.772870841e-01 4.22 -1.700805624e-01 -1.700805624e-01 4.24 -1.631006172e-01 -1.631006172e-01 4.26 -1.563418335e-01 -1.563418335e-01 4.28 -1.498017567e-01 -1.498017567e-01 4.30 -1.434803738e-01 -1.434803738e-01 4.32 -1.373794559e-01 -1.373794559e-01 4.34 -1.315017955e-01 -1.315017955e-01 4.36 -1.258503901e-01 -1.258503901e-01 4.38 -1.204276331e-01 -1.204276331e-01 4.40 -1.152346035e-01 -1.152346035e-01 4.42 -1.102705069e-01 -1.102705069e-01 4.44 -1.055323136e-01 -1.055323136e-01 4.46 -1.010145676e-01 -1.010145676e-01 4.48 -9.670933045e-02 -9.670933045e-02 4.50 -9.260693748e-02 -9.260693748e-02 4.52 -8.869597428e-02 -8.869597428e-02 4.54 -8.496365169e-02 -8.496365169e-02 4.56 -8.139626731e-02 -8.139626731e-02 4.58 -7.797964092e-02 -7.797964092e-02 4.60 -7.469949863e-02 -7.469949863e-02 4.62 -7.154179388e-02 -7.154179388e-02 4.64 -6.849296461e-02 -6.849296461e-02 4.66 -6.554013376e-02 -6.554013376e-02 4.68 -6.267126465e-02 -6.267126465e-02 4.70 -5.987528441e-02 -5.987528441e-02 4.72 -5.714218835e-02 -5.714218835e-02 4.74 -5.446313603e-02 -5.446313603e-02 4.76 -5.183054681e-02 -5.183054681e-02 4.78 -4.923819874e-02 -4.923819874e-02 4.80 -4.668133019e-02 -4.668133019e-02 4.82 -4.415674300e-02 -4.415674300e-02 4.84 -4.166288952e-02 -4.166288952e-02 4.86 -3.919994319e-02 -3.919994319e-02 4.88 -3.676982802e-02 -3.676982802e-02 4.90 -3.437619446e-02 -3.437619446e-02 4.92 -3.202432614e-02 -3.202432614e-02 4.94 -2.972096501e-02 -2.972096501e-02 4.96 -2.747404946e-02 -2.747404946e-02 4.98 -2.529237294e-02 -2.529237294e-02 5.00 -2.318517331e-02 -2.318517331e-02 5.02 -2.116167791e-02 -2.116167791e-02 5.04 -1.923063599e-02 -1.923063599e-02 5.06 -1.739987415e-02 -1.739987415e-02 5.08 -1.567572213e-02 -1.567572213e-02 5.10 -1.406275371e-02 -1.406275371e-02 5.12 -1.256434381e-02 -1.256434381e-02 5.14 -1.118194438e-02 -1.118194438e-02 5.16 -9.915098749e-03 -9.915098749e-03 5.18 -8.761589244e-03 -8.761589244e-03 5.20 -7.717660584e-03 -7.717660584e-03 5.22 -6.778292240e-03 -6.778292240e-03 5.24 -5.937493080e-03 -5.937493080e-03 5.26 -5.188594989e-03 -5.188594989e-03 5.28 -4.524527130e-03 -4.524527130e-03 5.30 -3.938058219e-03 -3.938058219e-03 5.32 -3.421999669e-03 -3.421999669e-03 5.34 -2.969367161e-03 -2.969367161e-03 5.36 -2.573501782e-03 -2.573501782e-03 5.38 -2.228154308e-03 -2.228154308e-03 5.40 -1.927537648e-03 -1.927537648e-03 5.42 -1.666353024e-03 -1.666353024e-03 5.44 -1.439795437e-03 -1.439795437e-03 5.46 -1.243543553e-03 -1.243543553e-03 5.48 -1.073738477e-03 -1.073738477e-03 5.50 -9.269551626e-04 -9.269551626e-04 5.52 -8.001694427e-04 -8.001694427e-04 5.54 -6.907230105e-04 -6.907230105e-04 5.56 -5.962880637e-04 -5.962880637e-04 5.58 -5.148328421e-04 -5.148328421e-04 5.60 -4.445888819e-04 -4.445888819e-04 5.62 -3.840205000e-04 -3.840205000e-04 5.64 -3.317967840e-04 -3.317967840e-04 5.66 -2.867661923e-04 -2.867661923e-04 5.68 -2.479337445e-04 -2.479337445e-04 5.70 -2.144407028e-04 -2.144407028e-04 5.72 -1.855465912e-04 -1.855465912e-04 5.74 -1.606133714e-04 -1.606133714e-04 5.76 -1.390915793e-04 -1.390915793e-04 5.78 -1.205082266e-04 -1.205082266e-04 5.80 -1.044562764e-04 -1.044562764e-04 5.82 -9.058551138e-05 -9.058551138e-05 5.84 -7.859462963e-05 -7.859462963e-05 5.86 -6.822441410e-05 -6.822441410e-05 5.88 -5.925183985e-05 -5.925183985e-05 5.90 -5.148499625e-05 -5.148499625e-05 5.92 -4.475871606e-05 -4.475871606e-05 5.94 -3.893081586e-05 -3.893081586e-05 5.96 -3.387886447e-05 -3.387886447e-05 5.98 -2.949740657e-05 -2.949740657e-05 6.00 -2.569557811e-05 -2.569557811e-05