# 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 = Ag2CoPt # 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 2.577991265e+02 2.577991265e+02 1.30 2.388703791e+02 2.388703791e+02 1.32 2.213008972e+02 2.213008972e+02 1.34 2.049896632e+02 2.049896632e+02 1.36 1.898457169e+02 1.898457169e+02 1.38 1.757817689e+02 1.757817689e+02 1.40 1.627118308e+02 1.627118308e+02 1.42 1.505535803e+02 1.505535803e+02 1.44 1.392323136e+02 1.392323136e+02 1.46 1.286832985e+02 1.286832985e+02 1.48 1.188513449e+02 1.188513449e+02 1.50 1.096882339e+02 1.096882339e+02 1.52 1.011494479e+02 1.011494479e+02 1.54 9.319173460e+01 9.319173460e+01 1.56 8.577240741e+01 8.577240741e+01 1.58 7.885000559e+01 7.885000559e+01 1.60 7.238528249e+01 7.238528249e+01 1.62 6.634193324e+01 6.634193324e+01 1.64 6.068709962e+01 6.068709962e+01 1.66 5.539219690e+01 5.539219690e+01 1.68 5.047838941e+01 5.047838941e+01 1.70 4.595140932e+01 4.595140932e+01 1.72 4.178400795e+01 4.178400795e+01 1.74 3.795070675e+01 3.795070675e+01 1.76 3.442678741e+01 3.442678741e+01 1.78 3.118791334e+01 3.118791334e+01 1.80 2.821052703e+01 2.821052703e+01 1.82 2.547253947e+01 2.547253947e+01 1.84 2.295379688e+01 2.295379688e+01 1.86 2.063615106e+01 2.063615106e+01 1.88 1.850326343e+01 1.850326343e+01 1.90 1.654034241e+01 1.654034241e+01 1.92 1.473392683e+01 1.473392683e+01 1.94 1.307172989e+01 1.307172989e+01 1.96 1.154252531e+01 1.154252531e+01 1.98 1.013606534e+01 1.013606534e+01 2.00 8.843013579e+00 8.843013579e+00 2.02 7.654864506e+00 7.654864506e+00 2.04 6.563837211e+00 6.563837211e+00 2.06 5.562759222e+00 5.562759222e+00 2.08 4.644963849e+00 4.644963849e+00 2.10 3.804213198e+00 3.804213198e+00 2.12 3.034648621e+00 3.034648621e+00 2.14 2.330768274e+00 2.330768274e+00 2.16 1.687429858e+00 1.687429858e+00 2.18 1.099870353e+00 1.099870353e+00 2.20 5.637278784e-01 5.637278784e-01 2.22 7.505082811e-02 7.505082811e-02 2.24 -3.697132882e-01 -3.697132882e-01 2.26 -7.737479601e-01 -7.737479601e-01 2.28 -1.139910342e+00 -1.139910342e+00 2.30 -1.470779646e+00 -1.470779646e+00 2.32 -1.768706492e+00 -1.768706492e+00 2.34 -2.035860131e+00 -2.035860131e+00 2.36 -2.274364488e+00 -2.274364488e+00 2.38 -2.487400614e+00 -2.487400614e+00 2.40 -2.676855656e+00 -2.676855656e+00 2.42 -2.844129256e+00 -2.844129256e+00 2.44 -2.990648195e+00 -2.990648195e+00 2.46 -3.117860754e+00 -3.117860754e+00 2.48 -3.227230262e+00 -3.227230262e+00 2.50 -3.320228869e+00 -3.320228869e+00 2.52 -3.398347685e+00 -3.398347685e+00 2.54 -3.463072669e+00 -3.463072669e+00 2.56 -3.515782606e+00 -3.515782606e+00 2.58 -3.557796856e+00 -3.557796856e+00 2.60 -3.590342863e+00 -3.590342863e+00 2.62 -3.614522358e+00 -3.614522358e+00 2.64 -3.631286962e+00 -3.631286962e+00 2.66 -3.641427050e+00 -3.641427050e+00 2.68 -3.645572846e+00 -3.645572846e+00 2.70 -3.644175780e+00 -3.644175780e+00 2.72 -3.637549945e+00 -3.637549945e+00 2.74 -3.625937194e+00 -3.625937194e+00 2.76 -3.609532308e+00 -3.609532308e+00 2.78 -3.588503174e+00 -3.588503174e+00 2.80 -3.563006412e+00 -3.563006412e+00 2.82 -3.533199351e+00 -3.533199351e+00 2.84 -3.499250128e+00 -3.499250128e+00 2.86 -3.461426356e+00 -3.461426356e+00 2.88 -3.420042485e+00 -3.420042485e+00 2.90 -3.375211235e+00 -3.375211235e+00 2.92 -3.327119270e+00 -3.327119270e+00 2.94 -3.276038087e+00 -3.276038087e+00 2.96 -3.222318297e+00 -3.222318297e+00 2.98 -3.166375202e+00 -3.166375202e+00 3.00 -3.108665434e+00 -3.108665434e+00 3.02 -3.049657298e+00 -3.049657298e+00 3.04 -2.989801637e+00 -2.989801637e+00 3.06 -2.929512456e+00 -2.929512456e+00 3.08 -2.869138492e+00 -2.869138492e+00 3.10 -2.808952237e+00 -2.808952237e+00 3.12 -2.749206193e+00 -2.749206193e+00 3.14 -2.690117884e+00 -2.690117884e+00 3.16 -2.631813996e+00 -2.631813996e+00 3.18 -2.574351971e+00 -2.574351971e+00 3.20 -2.517742637e+00 -2.517742637e+00 3.22 -2.461968949e+00 -2.461968949e+00 3.24 -2.407000412e+00 -2.407000412e+00 3.26 -2.352803416e+00 -2.352803416e+00 3.28 -2.299348029e+00 -2.299348029e+00 3.30 -2.246611954e+00 -2.246611954e+00 3.32 -2.194582332e+00 -2.194582332e+00 3.34 -2.143256009e+00 -2.143256009e+00 3.36 -2.092638754e+00 -2.092638754e+00 3.38 -2.042743834e+00 -2.042743834e+00 3.40 -1.993590246e+00 -1.993590246e+00 3.42 -1.945200819e+00 -1.945200819e+00 3.44 -1.897600343e+00 -1.897600343e+00 3.46 -1.850813854e+00 -1.850813854e+00 3.48 -1.804865103e+00 -1.804865103e+00 3.50 -1.759775278e+00 -1.759775278e+00 3.52 -1.715561962e+00 -1.715561962e+00 3.54 -1.672238340e+00 -1.672238340e+00 3.56 -1.629812617e+00 -1.629812617e+00 3.58 -1.588287640e+00 -1.588287640e+00 3.60 -1.547660706e+00 -1.547660706e+00 3.62 -1.507923537e+00 -1.507923537e+00 3.64 -1.469062416e+00 -1.469062416e+00 3.66 -1.431058484e+00 -1.431058484e+00 3.68 -1.393888186e+00 -1.393888186e+00 3.70 -1.357523867e+00 -1.357523867e+00 3.72 -1.321934481e+00 -1.321934481e+00 3.74 -1.287086411e+00 -1.287086411e+00 3.76 -1.252944345e+00 -1.252944345e+00 3.78 -1.219472163e+00 -1.219472163e+00 3.80 -1.186633787e+00 -1.186633787e+00 3.82 -1.154393949e+00 -1.154393949e+00 3.84 -1.122718825e+00 -1.122718825e+00 3.86 -1.091576509e+00 -1.091576509e+00 3.88 -1.060937326e+00 -1.060937326e+00 3.90 -1.030773988e+00 -1.030773988e+00 3.92 -1.001061632e+00 -1.001061632e+00 3.94 -9.717778069e-01 -9.717778069e-01 3.96 -9.429024415e-01 -9.429024415e-01 3.98 -9.144179202e-01 -9.144179202e-01 4.00 -8.863092884e-01 -8.863092884e-01 4.02 -8.585646525e-01 -8.585646525e-01 4.04 -8.311757901e-01 -8.311757901e-01 4.06 -8.041389442e-01 -8.041389442e-01 4.08 -7.774557334e-01 -7.774557334e-01 4.10 -7.511340589e-01 -7.511340589e-01 4.12 -7.251888792e-01 -7.251888792e-01 4.14 -6.996426129e-01 -6.996426129e-01 4.16 -6.745250958e-01 -6.745250958e-01 4.18 -6.498728979e-01 -6.498728979e-01 4.20 -6.257279798e-01 -6.257279798e-01 4.22 -6.021357295e-01 -6.021357295e-01 4.24 -5.791425254e-01 -5.791425254e-01 4.26 -5.567930452e-01 -5.567930452e-01 4.28 -5.351275836e-01 -5.351275836e-01 4.30 -5.141796274e-01 -5.141796274e-01 4.32 -4.939738930e-01 -4.939738930e-01 4.34 -4.745249512e-01 -4.745249512e-01 4.36 -4.558364918e-01 -4.558364918e-01 4.38 -4.379012052e-01 -4.379012052e-01 4.40 -4.207012135e-01 -4.207012135e-01 4.42 -4.042089524e-01 -4.042089524e-01 4.44 -3.883883908e-01 -3.883883908e-01 4.46 -3.731964770e-01 -3.731964770e-01 4.48 -3.585847052e-01 -3.585847052e-01 4.50 -3.445007124e-01 -3.445007124e-01 4.52 -3.308898346e-01 -3.308898346e-01 4.54 -3.176965737e-01 -3.176965737e-01 4.56 -3.048659505e-01 -3.048659505e-01 4.58 -2.923447393e-01 -2.923447393e-01 4.60 -2.800825977e-01 -2.800825977e-01 4.62 -2.680331125e-01 -2.680331125e-01 4.64 -2.561547846e-01 -2.561547846e-01 4.66 -2.444119701e-01 -2.444119701e-01 4.68 -2.327757790e-01 -2.327757790e-01 4.70 -2.212249157e-01 -2.212249157e-01 4.72 -2.097464222e-01 -2.097464222e-01 4.74 -1.983362671e-01 -1.983362671e-01 4.76 -1.869997069e-01 -1.869997069e-01 4.78 -1.757513404e-01 -1.757513404e-01 4.80 -1.646147839e-01 -1.646147839e-01 4.82 -1.536219254e-01 -1.536219254e-01 4.84 -1.428117184e-01 -1.428117184e-01 4.86 -1.322285770e-01 -1.322285770e-01 4.88 -1.219204205e-01 -1.219204205e-01 4.90 -1.119364952e-01 -1.119364952e-01 4.92 -1.023251133e-01 -1.023251133e-01 4.94 -9.313146672e-02 -9.313146672e-02 4.96 -8.439566099e-02 -8.439566099e-02 4.98 -7.615109349e-02 -7.615109349e-02 5.00 -6.842326393e-02 -6.842326393e-02 5.02 -6.122906385e-02 -6.122906385e-02 5.04 -5.457655043e-02 -5.457655043e-02 5.06 -4.846517218e-02 -4.846517218e-02 5.08 -4.288638201e-02 -4.288638201e-02 5.10 -3.782455851e-02 -3.782455851e-02 5.12 -3.325813906e-02 -3.325813906e-02 5.14 -2.916085096e-02 -2.916085096e-02 5.16 -2.550297784e-02 -2.550297784e-02 5.18 -2.225257036e-02 -2.225257036e-02 5.20 -1.937649053e-02 -1.937649053e-02 5.22 -1.684147553e-02 -1.684147553e-02 5.24 -1.461498455e-02 -1.461498455e-02 5.26 -1.266562213e-02 -1.266562213e-02 5.28 -1.096363912e-02 -1.096363912e-02 5.30 -9.481266434e-03 -9.481266434e-03 5.32 -8.192907894e-03 -8.192907894e-03 5.34 -7.075221069e-03 -7.075221069e-03 5.36 -6.107112498e-03 -6.107112498e-03 5.38 -5.269670045e-03 -5.269670045e-03 5.40 -4.546051576e-03 -4.546051576e-03 5.42 -3.921345560e-03 -3.921345560e-03 5.44 -3.382415928e-03 -3.382415928e-03 5.46 -2.917740601e-03 -2.917740601e-03 5.48 -2.517250629e-03 -2.517250629e-03 5.50 -2.172174815e-03 -2.172174815e-03 5.52 -1.874893086e-03 -1.874893086e-03 5.54 -1.618800555e-03 -1.618800555e-03 5.56 -1.398183285e-03 -1.398183285e-03 5.58 -1.208106026e-03 -1.208106026e-03 5.60 -1.044311733e-03 -1.044311733e-03 5.62 -9.031323140e-04 -9.031323140e-04 5.64 -7.814098581e-04 -7.814098581e-04 5.66 -6.764274936e-04 -6.764274936e-04 5.68 -5.858489624e-04 -5.858489624e-04 5.70 -5.076660122e-04 -5.076660122e-04 5.72 -4.401527386e-04 -4.401527386e-04 5.74 -3.818260615e-04 -3.818260615e-04 5.76 -3.314115855e-04 -3.314115855e-04 5.78 -2.878141647e-04 -2.878141647e-04 5.80 -2.500925595e-04 -2.500925595e-04 5.82 -2.174376437e-04 -2.174376437e-04 5.84 -1.891536815e-04 -1.891536815e-04 5.86 -1.646422542e-04 -1.646422542e-04 5.88 -1.433884687e-04 -1.433884687e-04 5.90 -1.249491303e-04 -1.249491303e-04 5.92 -1.089426008e-04 -1.089426008e-04 5.94 -9.504010406e-05 -9.504010406e-05 5.96 -8.295827369e-05 -8.295827369e-05 5.98 -7.245276341e-05 -7.245276341e-05 6.00 -6.331276947e-05 -6.331276947e-05