# 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 = Ag2AlMo # 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 2.224536166e+02 2.224536166e+02 1.30 2.062597805e+02 2.062597805e+02 1.32 1.912618443e+02 1.912618443e+02 1.34 1.773661708e+02 1.773661708e+02 1.36 1.644865138e+02 1.644865138e+02 1.38 1.525434389e+02 1.525434389e+02 1.40 1.414635229e+02 1.414635229e+02 1.42 1.311785722e+02 1.311785722e+02 1.44 1.216250526e+02 1.216250526e+02 1.46 1.127439433e+02 1.127439433e+02 1.48 1.044812108e+02 1.044812108e+02 1.50 9.678853726e+01 9.678853726e+01 1.52 8.962349315e+01 8.962349315e+01 1.54 8.294881243e+01 8.294881243e+01 1.56 7.673119837e+01 7.673119837e+01 1.58 7.094023510e+01 7.094023510e+01 1.60 6.554761545e+01 6.554761545e+01 1.62 6.052662937e+01 6.052662937e+01 1.64 5.585184395e+01 5.585184395e+01 1.66 5.149972244e+01 5.149972244e+01 1.68 4.744907103e+01 4.744907103e+01 1.70 4.367898714e+01 4.367898714e+01 1.72 4.017298836e+01 4.017298836e+01 1.74 3.691365183e+01 3.691365183e+01 1.76 3.388359325e+01 3.388359325e+01 1.78 3.106667887e+01 3.106667887e+01 1.80 2.844792423e+01 2.844792423e+01 1.82 2.601350367e+01 2.601350367e+01 1.84 2.375077741e+01 2.375077741e+01 1.86 2.164824411e+01 2.164824411e+01 1.88 1.969538895e+01 1.969538895e+01 1.90 1.788245873e+01 1.788245873e+01 1.92 1.620023080e+01 1.620023080e+01 1.94 1.463985032e+01 1.463985032e+01 1.96 1.319278373e+01 1.319278373e+01 1.98 1.185087925e+01 1.185087925e+01 2.00 1.060647346e+01 1.060647346e+01 2.02 9.452471059e+00 9.452471059e+00 2.04 8.382353892e+00 8.382353892e+00 2.06 7.390118031e+00 7.390118031e+00 2.08 6.470172444e+00 6.470172444e+00 2.10 5.617246354e+00 5.617246354e+00 2.12 4.826340537e+00 4.826340537e+00 2.14 4.092730941e+00 4.092730941e+00 2.16 3.412008966e+00 3.412008966e+00 2.18 2.780132212e+00 2.780132212e+00 2.20 2.193461945e+00 2.193461945e+00 2.22 1.648772887e+00 1.648772887e+00 2.24 1.143232342e+00 1.143232342e+00 2.26 6.743552728e-01 6.743552728e-01 2.28 2.399471521e-01 2.399471521e-01 2.30 -1.619537384e-01 -1.619537384e-01 2.32 -5.331272355e-01 -5.331272355e-01 2.34 -8.752126489e-01 -8.752126489e-01 2.36 -1.189741556e+00 -1.189741556e+00 2.38 -1.478158380e+00 -1.478158380e+00 2.40 -1.741732871e+00 -1.741732871e+00 2.42 -1.981870938e+00 -1.981870938e+00 2.44 -2.200017864e+00 -2.200017864e+00 2.46 -2.397584519e+00 -2.397584519e+00 2.48 -2.575956792e+00 -2.575956792e+00 2.50 -2.736496931e+00 -2.736496931e+00 2.52 -2.880538804e+00 -2.880538804e+00 2.54 -3.009381032e+00 -3.009381032e+00 2.56 -3.124224339e+00 -3.124224339e+00 2.58 -3.226076108e+00 -3.226076108e+00 2.60 -3.315914964e+00 -3.315914964e+00 2.62 -3.394706799e+00 -3.394706799e+00 2.64 -3.463374410e+00 -3.463374410e+00 2.66 -3.522763105e+00 -3.522763105e+00 2.68 -3.573612212e+00 -3.573612212e+00 2.70 -3.616663700e+00 -3.616663700e+00 2.72 -3.653196652e+00 -3.653196652e+00 2.74 -3.683429268e+00 -3.683429268e+00 2.76 -3.707356901e+00 -3.707356901e+00 2.78 -3.724981262e+00 -3.724981262e+00 2.80 -3.736319231e+00 -3.736319231e+00 2.82 -3.741407934e+00 -3.741407934e+00 2.84 -3.740308452e+00 -3.740308452e+00 2.86 -3.733127178e+00 -3.733127178e+00 2.88 -3.720014308e+00 -3.720014308e+00 2.90 -3.701147595e+00 -3.701147595e+00 2.92 -3.676758000e+00 -3.676758000e+00 2.94 -3.647258527e+00 -3.647258527e+00 2.96 -3.612853120e+00 -3.612853120e+00 2.98 -3.573755921e+00 -3.573755921e+00 3.00 -3.530264196e+00 -3.530264196e+00 3.02 -3.482752335e+00 -3.482752335e+00 3.04 -3.431659023e+00 -3.431659023e+00 3.06 -3.377466714e+00 -3.377466714e+00 3.08 -3.320674223e+00 -3.320674223e+00 3.10 -3.261767081e+00 -3.261767081e+00 3.12 -3.201197965e+00 -3.201197965e+00 3.14 -3.139356107e+00 -3.139356107e+00 3.16 -3.076546535e+00 -3.076546535e+00 3.18 -3.012988077e+00 -3.012988077e+00 3.20 -2.948821410e+00 -2.948821410e+00 3.22 -2.884124250e+00 -2.884124250e+00 3.24 -2.818930238e+00 -2.818930238e+00 3.26 -2.753248532e+00 -2.753248532e+00 3.28 -2.687081988e+00 -2.687081988e+00 3.30 -2.620442735e+00 -2.620442735e+00 3.32 -2.553364560e+00 -2.553364560e+00 3.34 -2.485911935e+00 -2.485911935e+00 3.36 -2.418185600e+00 -2.418185600e+00 3.38 -2.350324708e+00 -2.350324708e+00 3.40 -2.282505545e+00 -2.282505545e+00 3.42 -2.214937010e+00 -2.214937010e+00 3.44 -2.147853150e+00 -2.147853150e+00 3.46 -2.081503412e+00 -2.081503412e+00 3.48 -2.016141425e+00 -2.016141425e+00 3.50 -1.952013354e+00 -1.952013354e+00 3.52 -1.889346896e+00 -1.889346896e+00 3.54 -1.828341894e+00 -1.828341894e+00 3.56 -1.769163284e+00 -1.769163284e+00 3.58 -1.711936796e+00 -1.711936796e+00 3.60 -1.656747422e+00 -1.656747422e+00 3.62 -1.603640422e+00 -1.603640422e+00 3.64 -1.552624350e+00 -1.552624350e+00 3.66 -1.503675524e+00 -1.503675524e+00 3.68 -1.456743317e+00 -1.456743317e+00 3.70 -1.411755728e+00 -1.411755728e+00 3.72 -1.368624808e+00 -1.368624808e+00 3.74 -1.327251635e+00 -1.327251635e+00 3.76 -1.287530666e+00 -1.287530666e+00 3.78 -1.249353381e+00 -1.249353381e+00 3.80 -1.212611234e+00 -1.212611234e+00 3.82 -1.177197932e+00 -1.177197932e+00 3.84 -1.143011128e+00 -1.143011128e+00 3.86 -1.109953608e+00 -1.109953608e+00 3.88 -1.077934025e+00 -1.077934025e+00 3.90 -1.046867289e+00 -1.046867289e+00 3.92 -1.016674648e+00 -1.016674648e+00 3.94 -9.872835658e-01 -9.872835658e-01 3.96 -9.586273907e-01 -9.586273907e-01 3.98 -9.306449709e-01 -9.306449709e-01 4.00 -9.032802131e-01 -9.032802131e-01 4.02 -8.764816784e-01 -8.764816784e-01 4.04 -8.502022756e-01 -8.502022756e-01 4.06 -8.243991095e-01 -8.243991095e-01 4.08 -7.990335352e-01 -7.990335352e-01 4.10 -7.740714390e-01 -7.740714390e-01 4.12 -7.494838303e-01 -7.494838303e-01 4.14 -7.252475447e-01 -7.252475447e-01 4.16 -7.013462549e-01 -7.013462549e-01 4.18 -6.777715032e-01 -6.777715032e-01 4.20 -6.545236960e-01 -6.545236960e-01 4.22 -6.316128750e-01 -6.316128750e-01 4.24 -6.090590681e-01 -6.090590681e-01 4.26 -5.868920328e-01 -5.868920328e-01 4.28 -5.651502438e-01 -5.651502438e-01 4.30 -5.438790597e-01 -5.438790597e-01 4.32 -5.231281154e-01 -5.231281154e-01 4.34 -5.029481151e-01 -5.029481151e-01 4.36 -4.833873150e-01 -4.833873150e-01 4.38 -4.644880568e-01 -4.644880568e-01 4.40 -4.462837250e-01 -4.462837250e-01 4.42 -4.287964394e-01 -4.287964394e-01 4.44 -4.120356861e-01 -4.120356861e-01 4.46 -3.959979449e-01 -3.959979449e-01 4.48 -3.806672382e-01 -3.806672382e-01 4.50 -3.660164205e-01 -3.660164205e-01 4.52 -3.520089702e-01 -3.520089702e-01 4.54 -3.386010388e-01 -3.386010388e-01 4.56 -3.257435391e-01 -3.257435391e-01 4.58 -3.133841100e-01 -3.133841100e-01 4.60 -3.014688563e-01 -3.014688563e-01 4.62 -2.899438174e-01 -2.899438174e-01 4.64 -2.787561682e-01 -2.787561682e-01 4.66 -2.678551852e-01 -2.678551852e-01 4.68 -2.571930293e-01 -2.571930293e-01 4.70 -2.467254039e-01 -2.467254039e-01 4.72 -2.364121439e-01 -2.364121439e-01 4.74 -2.262177816e-01 -2.262177816e-01 4.76 -2.161121201e-01 -2.161121201e-01 4.78 -2.060708293e-01 -2.060708293e-01 4.80 -1.960760497e-01 -1.960760497e-01 4.82 -1.861170177e-01 -1.861170177e-01 4.84 -1.761905590e-01 -1.761905590e-01 4.86 -1.663015268e-01 -1.663015268e-01 4.88 -1.564629959e-01 -1.564629959e-01 4.90 -1.466961761e-01 -1.466961761e-01 4.92 -1.370299651e-01 -1.370299651e-01 4.94 -1.275000884e-01 -1.275000884e-01 4.96 -1.181478138e-01 -1.181478138e-01 4.98 -1.090182691e-01 -1.090182691e-01 5.00 -1.001584454e-01 -1.001584454e-01 5.02 -9.161501821e-02 -9.161501821e-02 5.04 -8.343214070e-02 -8.343214070e-02 5.06 -7.564937871e-02 -7.564937871e-02 5.08 -6.829996135e-02 -6.829996135e-02 5.10 -6.140946519e-02 -6.140946519e-02 5.12 -5.499501696e-02 -5.499501696e-02 5.14 -4.906505170e-02 -4.906505170e-02 5.16 -4.361956569e-02 -4.361956569e-02 5.18 -3.865079290e-02 -3.865079290e-02 5.20 -3.414404142e-02 -3.414404142e-02 5.22 -3.007891879e-02 -3.007891879e-02 5.24 -2.643133518e-02 -2.643133518e-02 5.26 -2.317406086e-02 -2.317406086e-02 5.28 -2.027752746e-02 -2.027752746e-02 5.30 -1.771192295e-02 -1.771192295e-02 5.32 -1.544755751e-02 -1.544755751e-02 5.34 -1.345535621e-02 -1.345535621e-02 5.36 -1.170743874e-02 -1.170743874e-02 5.38 -1.017752412e-02 -1.017752412e-02 5.40 -8.841186805e-03 -8.841186805e-03 5.42 -7.675992040e-03 -7.675992040e-03 5.44 -6.661537054e-03 -6.661537054e-03 5.46 -5.779421941e-03 -5.779421941e-03 5.48 -5.013170553e-03 -5.013170553e-03 5.50 -4.348118155e-03 -4.348118155e-03 5.52 -3.771279064e-03 -3.771279064e-03 5.54 -3.271204429e-03 -3.271204429e-03 5.56 -2.837837625e-03 -2.837837625e-03 5.58 -2.462372597e-03 -2.462372597e-03 5.60 -2.137118720e-03 -2.137118720e-03 5.62 -1.855374435e-03 -1.855374435e-03 5.64 -1.611310899e-03 -1.611310899e-03 5.66 -1.399866155e-03 -1.399866155e-03 5.68 -1.216649805e-03 -1.216649805e-03 5.70 -1.057857840e-03 -1.057857840e-03 5.72 -9.201970275e-04 -9.201970275e-04 5.74 -8.008181627e-04 -8.008181627e-04 5.76 -6.972573900e-04 -6.972573900e-04 5.78 -6.073848282e-04 -6.073848282e-04 5.80 -5.293597207e-04 -5.293597207e-04 5.82 -4.615913856e-04 -4.615913856e-04 5.84 -4.027052895e-04 -4.027052895e-04 5.86 -3.515136225e-04 -3.515136225e-04 5.88 -3.069898170e-04 -3.069898170e-04 5.90 -2.682465061e-04 -2.682465061e-04 5.92 -2.345164757e-04 -2.345164757e-04 5.94 -2.051362167e-04 -2.051362167e-04 5.96 -1.795317303e-04 -1.795317303e-04 5.98 -1.572062821e-04 -1.572062821e-04 6.00 -1.377298429e-04 -1.377298429e-04