# 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 = Au2CuMg # 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 3.071256065e+02 3.071256065e+02 1.30 2.842854811e+02 2.842854811e+02 1.32 2.631553504e+02 2.631553504e+02 1.34 2.436002982e+02 2.436002982e+02 1.36 2.254956314e+02 2.254956314e+02 1.38 2.087261037e+02 2.087261037e+02 1.40 1.931858298e+02 1.931858298e+02 1.42 1.787779384e+02 1.787779384e+02 1.44 1.654139277e+02 1.654139277e+02 1.46 1.530129071e+02 1.530129071e+02 1.48 1.415009165e+02 1.415009165e+02 1.50 1.308104696e+02 1.308104696e+02 1.52 1.208800787e+02 1.208800787e+02 1.54 1.116534439e+02 1.116534439e+02 1.56 1.030784994e+02 1.030784994e+02 1.58 9.510672979e+01 9.510672979e+01 1.60 8.769293482e+01 8.769293482e+01 1.62 8.079523853e+01 8.079523853e+01 1.64 7.437504215e+01 7.437504215e+01 1.66 6.840968384e+01 6.840968384e+01 1.68 6.288283807e+01 6.288283807e+01 1.70 5.776169890e+01 5.776169890e+01 1.72 5.301610494e+01 5.301610494e+01 1.74 4.861893606e+01 4.861893606e+01 1.76 4.454565092e+01 4.454565092e+01 1.78 4.077375467e+01 4.077375467e+01 1.80 3.728229275e+01 3.728229275e+01 1.82 3.405146317e+01 3.405146317e+01 1.84 3.106247875e+01 3.106247875e+01 1.86 2.829763965e+01 2.829763965e+01 1.88 2.574045779e+01 2.574045779e+01 1.90 2.337570520e+01 2.337570520e+01 1.92 2.118935109e+01 2.118935109e+01 1.94 1.916841621e+01 1.916841621e+01 1.96 1.730081403e+01 1.730081403e+01 1.98 1.557523542e+01 1.557523542e+01 2.00 1.398111304e+01 1.398111304e+01 2.02 1.250864718e+01 1.250864718e+01 2.04 1.114883842e+01 1.114883842e+01 2.06 9.893475740e+00 9.893475740e+00 2.08 8.735067796e+00 8.735067796e+00 2.10 7.666743934e+00 7.666743934e+00 2.12 6.682154577e+00 6.682154577e+00 2.14 5.775392463e+00 5.775392463e+00 2.16 4.940936521e+00 4.940936521e+00 2.18 4.173614044e+00 4.173614044e+00 2.20 3.468578390e+00 3.468578390e+00 2.22 2.821297135e+00 2.821297135e+00 2.24 2.227549453e+00 2.227549453e+00 2.26 1.683426011e+00 1.683426011e+00 2.28 1.185322392e+00 1.185322392e+00 2.30 7.299226923e-01 7.299226923e-01 2.32 3.141700580e-01 3.141700580e-01 2.34 -6.476567085e-02 -6.476567085e-02 2.36 -4.095162779e-01 -4.095162779e-01 2.38 -7.225347092e-01 -7.225347092e-01 2.40 -1.006107359e+00 -1.006107359e+00 2.42 -1.262364258e+00 -1.262364258e+00 2.44 -1.493290131e+00 -1.493290131e+00 2.46 -1.700739198e+00 -1.700739198e+00 2.48 -1.886451498e+00 -1.886451498e+00 2.50 -2.052069397e+00 -2.052069397e+00 2.52 -2.199152409e+00 -2.199152409e+00 2.54 -2.329188871e+00 -2.329188871e+00 2.56 -2.443603133e+00 -2.443603133e+00 2.58 -2.543866306e+00 -2.543866306e+00 2.60 -2.631295660e+00 -2.631295660e+00 2.62 -2.706930598e+00 -2.706930598e+00 2.64 -2.771766228e+00 -2.771766228e+00 2.66 -2.826937801e+00 -2.826937801e+00 2.68 -2.873247684e+00 -2.873247684e+00 2.70 -2.911192905e+00 -2.911192905e+00 2.72 -2.941258416e+00 -2.941258416e+00 2.74 -2.963909518e+00 -2.963909518e+00 2.76 -2.979585337e+00 -2.979585337e+00 2.78 -2.988710792e+00 -2.988710792e+00 2.80 -2.991696967e+00 -2.991696967e+00 2.82 -2.988956216e+00 -2.988956216e+00 2.84 -2.980892203e+00 -2.980892203e+00 2.86 -2.967883628e+00 -2.967883628e+00 2.88 -2.950288827e+00 -2.950288827e+00 2.90 -2.928451529e+00 -2.928451529e+00 2.92 -2.902706434e+00 -2.902706434e+00 2.94 -2.873384262e+00 -2.873384262e+00 2.96 -2.840816069e+00 -2.840816069e+00 2.98 -2.805336505e+00 -2.805336505e+00 3.00 -2.767285530e+00 -2.767285530e+00 3.02 -2.727007902e+00 -2.727007902e+00 3.04 -2.684849618e+00 -2.684849618e+00 3.06 -2.641152145e+00 -2.641152145e+00 3.08 -2.596242329e+00 -2.596242329e+00 3.10 -2.550423132e+00 -2.550423132e+00 3.12 -2.503964020e+00 -2.503964020e+00 3.14 -2.457095254e+00 -2.457095254e+00 3.16 -2.410004014e+00 -2.410004014e+00 3.18 -2.362836682e+00 -2.362836682e+00 3.20 -2.315703231e+00 -2.315703231e+00 3.22 -2.268683894e+00 -2.268683894e+00 3.24 -2.221844620e+00 -2.221844620e+00 3.26 -2.175238036e+00 -2.175238036e+00 3.28 -2.128880381e+00 -2.128880381e+00 3.30 -2.082786230e+00 -2.082786230e+00 3.32 -2.036972314e+00 -2.036972314e+00 3.34 -1.991458902e+00 -1.991458902e+00 3.36 -1.946270242e+00 -1.946270242e+00 3.38 -1.901434379e+00 -1.901434379e+00 3.40 -1.856981989e+00 -1.856981989e+00 3.42 -1.812930720e+00 -1.812930720e+00 3.44 -1.769284598e+00 -1.769284598e+00 3.46 -1.726054139e+00 -1.726054139e+00 3.48 -1.683255486e+00 -1.683255486e+00 3.50 -1.640908485e+00 -1.640908485e+00 3.52 -1.599034917e+00 -1.599034917e+00 3.54 -1.557656931e+00 -1.557656931e+00 3.56 -1.516795739e+00 -1.516795739e+00 3.58 -1.476470614e+00 -1.476470614e+00 3.60 -1.436698209e+00 -1.436698209e+00 3.62 -1.397492190e+00 -1.397492190e+00 3.64 -1.358863199e+00 -1.358863199e+00 3.66 -1.320819096e+00 -1.320819096e+00 3.68 -1.283365494e+00 -1.283365494e+00 3.70 -1.246506514e+00 -1.246506514e+00 3.72 -1.210245745e+00 -1.210245745e+00 3.74 -1.174587285e+00 -1.174587285e+00 3.76 -1.139536790e+00 -1.139536790e+00 3.78 -1.105102352e+00 -1.105102352e+00 3.80 -1.071295068e+00 -1.071295068e+00 3.82 -1.038129134e+00 -1.038129134e+00 3.84 -1.005621370e+00 -1.005621370e+00 3.86 -9.737901551e-01 -9.737901551e-01 3.88 -9.426538675e-01 -9.426538675e-01 3.90 -9.122290324e-01 -9.122290324e-01 3.92 -8.825283587e-01 -8.825283587e-01 3.94 -8.535595114e-01 -8.535595114e-01 3.96 -8.253233979e-01 -8.253233979e-01 3.98 -7.978141054e-01 -7.978141054e-01 4.00 -7.710189289e-01 -7.710189289e-01 4.02 -7.449190557e-01 -7.449190557e-01 4.04 -7.194906441e-01 -7.194906441e-01 4.06 -6.947061332e-01 -6.947061332e-01 4.08 -6.705356467e-01 -6.705356467e-01 4.10 -6.469481046e-01 -6.469481046e-01 4.12 -6.239137417e-01 -6.239137417e-01 4.14 -6.014034539e-01 -6.014034539e-01 4.16 -5.793912521e-01 -5.793912521e-01 4.18 -5.578549099e-01 -5.578549099e-01 4.20 -5.367768289e-01 -5.367768289e-01 4.22 -5.161447350e-01 -5.161447350e-01 4.24 -4.959521612e-01 -4.959521612e-01 4.26 -4.761986671e-01 -4.761986671e-01 4.28 -4.568897498e-01 -4.568897498e-01 4.30 -4.380364192e-01 -4.380364192e-01 4.32 -4.196544357e-01 -4.196544357e-01 4.34 -4.017632420e-01 -4.017632420e-01 4.36 -3.843846488e-01 -3.843846488e-01 4.38 -3.675413587e-01 -3.675413587e-01 4.40 -3.512554209e-01 -3.512554209e-01 4.42 -3.355467128e-01 -3.355467128e-01 4.44 -3.204315340e-01 -3.204315340e-01 4.46 -3.059213922e-01 -3.059213922e-01 4.48 -2.920220458e-01 -2.920220458e-01 4.50 -2.787328576e-01 -2.787328576e-01 4.52 -2.660464962e-01 -2.660464962e-01 4.54 -2.539489975e-01 -2.539489975e-01 4.56 -2.424201746e-01 -2.424201746e-01 4.58 -2.314343310e-01 -2.314343310e-01 4.60 -2.209612119e-01 -2.209612119e-01 4.62 -2.109671115e-01 -2.109671115e-01 4.64 -2.014160516e-01 -2.014160516e-01 4.66 -1.922709562e-01 -1.922709562e-01 4.68 -1.834947620e-01 -1.834947620e-01 4.70 -1.750514262e-01 -1.750514262e-01 4.72 -1.669068114e-01 -1.669068114e-01 4.74 -1.590294426e-01 -1.590294426e-01 4.76 -1.513911419e-01 -1.513911419e-01 4.78 -1.439675494e-01 -1.439675494e-01 4.80 -1.367383437e-01 -1.367383437e-01 4.82 -1.296883573e-01 -1.296883573e-01 4.84 -1.228065049e-01 -1.228065049e-01 4.86 -1.160867406e-01 -1.160867406e-01 4.88 -1.095277470e-01 -1.095277470e-01 4.90 -1.031326912e-01 -1.031326912e-01 4.92 -9.690879797e-02 -9.690879797e-02 4.94 -9.086673248e-02 -9.086673248e-02 4.96 -8.501980364e-02 -8.501980364e-02 4.98 -7.938301769e-02 -7.938301769e-02 5.00 -7.397203206e-02 -7.397203206e-02 5.02 -6.880207761e-02 -6.880207761e-02 5.04 -6.388692621e-02 -6.388692621e-02 5.06 -5.923798077e-02 -5.923798077e-02 5.08 -5.486355448e-02 -5.486355448e-02 5.10 -5.076839048e-02 -5.076839048e-02 5.12 -4.695342432e-02 -4.695342432e-02 5.14 -4.341580567e-02 -4.341580567e-02 5.16 -4.014915310e-02 -4.014915310e-02 5.18 -3.714397283e-02 -3.714397283e-02 5.20 -3.438813399e-02 -3.438813399e-02 5.22 -3.186679295e-02 -3.186679295e-02 5.24 -2.956490147e-02 -2.956490147e-02 5.26 -2.746677484e-02 -2.746677484e-02 5.28 -2.555617412e-02 -2.555617412e-02 5.30 -2.381689105e-02 -2.381689105e-02 5.32 -2.223329077e-02 -2.223329077e-02 5.34 -2.079046773e-02 -2.079046773e-02 5.36 -1.947443784e-02 -1.947443784e-02 5.38 -1.827231162e-02 -1.827231162e-02 5.40 -1.717237510e-02 -1.717237510e-02 5.42 -1.616407167e-02 -1.616407167e-02 5.44 -1.523796769e-02 -1.523796769e-02 5.46 -1.438568662e-02 -1.438568662e-02 5.48 -1.359982182e-02 -1.359982182e-02 5.50 -1.287383733e-02 -1.287383733e-02 5.52 -1.220196394e-02 -1.220196394e-02 5.54 -1.157909702e-02 -1.157909702e-02 5.56 -1.100070095e-02 -1.100070095e-02 5.58 -1.046272347e-02 -1.046272347e-02 5.60 -9.961521989e-03 -9.961521989e-03 5.62 -9.493802432e-03 -9.493802432e-03 5.64 -9.056570024e-03 -9.056570024e-03 5.66 -8.647090736e-03 -8.647090736e-03 5.68 -8.262861502e-03 -8.262861502e-03 5.70 -7.901587236e-03 -7.901587236e-03 5.72 -7.561162739e-03 -7.561162739e-03 5.74 -7.239657893e-03 -7.239657893e-03 5.76 -6.935304897e-03 -6.935304897e-03 5.78 -6.646486676e-03 -6.646486676e-03 5.80 -6.371725938e-03 -6.371725938e-03 5.82 -6.109674637e-03 -6.109674637e-03 5.84 -5.859103784e-03 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