# 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 = AgAuNi2 # 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 1.991540492e+02 1.991540492e+02 1.30 1.836572671e+02 1.836572671e+02 1.32 1.693479654e+02 1.693479654e+02 1.34 1.561297912e+02 1.561297912e+02 1.36 1.439156324e+02 1.439156324e+02 1.38 1.326261408e+02 1.326261408e+02 1.40 1.221885112e+02 1.221885112e+02 1.42 1.125356987e+02 1.125356987e+02 1.44 1.036058741e+02 1.036058741e+02 1.46 9.534203764e+01 9.534203764e+01 1.48 8.769189854e+01 8.769189854e+01 1.50 8.060792122e+01 8.060792122e+01 1.52 7.404710395e+01 7.404710395e+01 1.54 6.797021993e+01 6.797021993e+01 1.56 6.234083877e+01 6.234083877e+01 1.58 5.712466999e+01 5.712466999e+01 1.60 5.228945139e+01 5.228945139e+01 1.62 4.780520001e+01 4.780520001e+01 1.64 4.364740444e+01 4.364740444e+01 1.66 3.980204776e+01 3.980204776e+01 1.68 3.624722512e+01 3.624722512e+01 1.70 3.296111210e+01 3.296111210e+01 1.72 2.992321898e+01 2.992321898e+01 1.74 2.711480071e+01 2.711480071e+01 1.76 2.451877895e+01 2.451877895e+01 1.78 2.211967120e+01 2.211967120e+01 1.80 1.990345209e+01 1.990345209e+01 1.82 1.785732623e+01 1.785732623e+01 1.84 1.596948294e+01 1.596948294e+01 1.86 1.422890660e+01 1.422890660e+01 1.88 1.262524951e+01 1.262524951e+01 1.90 1.114873784e+01 1.114873784e+01 1.92 9.790096758e+00 9.790096758e+00 1.94 8.540503995e+00 8.540503995e+00 1.96 7.391585761e+00 7.391585761e+00 1.98 6.335455719e+00 6.335455719e+00 2.00 5.364779185e+00 5.364779185e+00 2.02 4.472831946e+00 4.472831946e+00 2.04 3.653524394e+00 3.653524394e+00 2.06 2.901377351e+00 2.901377351e+00 2.08 2.211457670e+00 2.211457670e+00 2.10 1.579295745e+00 1.579295745e+00 2.12 1.000806102e+00 1.000806102e+00 2.14 4.722213836e-01 4.722213836e-01 2.16 -9.959829660e-03 -9.959829660e-03 2.18 -4.490143443e-01 -4.490143443e-01 2.20 -8.480261827e-01 -8.480261827e-01 2.22 -1.209907839e+00 -1.209907839e+00 2.24 -1.537409817e+00 -1.537409817e+00 2.26 -1.833120568e+00 -1.833120568e+00 2.28 -2.099463712e+00 -2.099463712e+00 2.30 -2.338701148e+00 -2.338701148e+00 2.32 -2.552945836e+00 -2.552945836e+00 2.34 -2.744178781e+00 -2.744178781e+00 2.36 -2.914259354e+00 -2.914259354e+00 2.38 -3.064922165e+00 -3.064922165e+00 2.40 -3.197764385e+00 -3.197764385e+00 2.42 -3.314235060e+00 -3.314235060e+00 2.44 -3.415636480e+00 -3.415636480e+00 2.46 -3.503139879e+00 -3.503139879e+00 2.48 -3.577810474e+00 -3.577810474e+00 2.50 -3.640628639e+00 -3.640628639e+00 2.52 -3.692518117e+00 -3.692518117e+00 2.54 -3.734361787e+00 -3.734361787e+00 2.56 -3.767076163e+00 -3.767076163e+00 2.58 -3.791472855e+00 -3.791472855e+00 2.60 -3.808255087e+00 -3.808255087e+00 2.62 -3.818072117e+00 -3.818072117e+00 2.64 -3.821286025e+00 -3.821286025e+00 2.66 -3.818183403e+00 -3.818183403e+00 2.68 -3.809093275e+00 -3.809093275e+00 2.70 -3.794376958e+00 -3.794376958e+00 2.72 -3.774417989e+00 -3.774417989e+00 2.74 -3.749616111e+00 -3.749616111e+00 2.76 -3.720472608e+00 -3.720472608e+00 2.78 -3.687386216e+00 -3.687386216e+00 2.80 -3.650649937e+00 -3.650649937e+00 2.82 -3.610551154e+00 -3.610551154e+00 2.84 -3.567357414e+00 -3.567357414e+00 2.86 -3.521310224e+00 -3.521310224e+00 2.88 -3.472626091e+00 -3.472626091e+00 2.90 -3.421502456e+00 -3.421502456e+00 2.92 -3.368129712e+00 -3.368129712e+00 2.94 -3.312701288e+00 -3.312701288e+00 2.96 -3.255413006e+00 -3.255413006e+00 2.98 -3.196468032e+00 -3.196468032e+00 3.00 -3.136080655e+00 -3.136080655e+00 3.02 -3.074477710e+00 -3.074477710e+00 3.04 -3.011897217e+00 -3.011897217e+00 3.06 -2.948584033e+00 -2.948584033e+00 3.08 -2.884782855e+00 -2.884782855e+00 3.10 -2.820729620e+00 -2.820729620e+00 3.12 -2.756642888e+00 -2.756642888e+00 3.14 -2.692716895e+00 -2.692716895e+00 3.16 -2.629117456e+00 -2.629117456e+00 3.18 -2.565981127e+00 -2.565981127e+00 3.20 -2.503417141e+00 -2.503417141e+00 3.22 -2.441511197e+00 -2.441511197e+00 3.24 -2.380330013e+00 -2.380330013e+00 3.26 -2.319925765e+00 -2.319925765e+00 3.28 -2.260339901e+00 -2.260339901e+00 3.30 -2.201606062e+00 -2.201606062e+00 3.32 -2.143752136e+00 -2.143752136e+00 3.34 -2.086801558e+00 -2.086801558e+00 3.36 -2.030773995e+00 -2.030773995e+00 3.38 -1.975685612e+00 -1.975685612e+00 3.40 -1.921549039e+00 -1.921549039e+00 3.42 -1.868373189e+00 -1.868373189e+00 3.44 -1.816163040e+00 -1.816163040e+00 3.46 -1.764919477e+00 -1.764919477e+00 3.48 -1.714639274e+00 -1.714639274e+00 3.50 -1.665315261e+00 -1.665315261e+00 3.52 -1.616936681e+00 -1.616936681e+00 3.54 -1.569489720e+00 -1.569489720e+00 3.56 -1.522958147e+00 -1.522958147e+00 3.58 -1.477324008e+00 -1.477324008e+00 3.60 -1.432568302e+00 -1.432568302e+00 3.62 -1.388671607e+00 -1.388671607e+00 3.64 -1.345614655e+00 -1.345614655e+00 3.66 -1.303378886e+00 -1.303378886e+00 3.68 -1.261947046e+00 -1.261947046e+00 3.70 -1.221303916e+00 -1.221303916e+00 3.72 -1.181437203e+00 -1.181437203e+00 3.74 -1.142338616e+00 -1.142338616e+00 3.76 -1.104005066e+00 -1.104005066e+00 3.78 -1.066439813e+00 -1.066439813e+00 3.80 -1.029653359e+00 -1.029653359e+00 3.82 -9.936637827e-01 -9.936637827e-01 3.84 -9.584962702e-01 -9.584962702e-01 3.86 -9.241816348e-01 -9.241816348e-01 3.88 -8.907538272e-01 -8.907538272e-01 3.90 -8.582466208e-01 -8.582466208e-01 3.92 -8.266898706e-01 -8.266898706e-01 3.94 -7.961058789e-01 -7.961058789e-01 3.96 -7.665063977e-01 -7.665063977e-01 3.98 -7.378907018e-01 -7.378907018e-01 4.00 -7.102449268e-01 -7.102449268e-01 4.02 -6.835426457e-01 -6.835426457e-01 4.04 -6.577464549e-01 -6.577464549e-01 4.06 -6.328102315e-01 -6.328102315e-01 4.08 -6.086817081e-01 -6.086817081e-01 4.10 -5.853050644e-01 -5.853050644e-01 4.12 -5.626233413e-01 -5.626233413e-01 4.14 -5.405805362e-01 -5.405805362e-01 4.16 -5.191233860e-01 -5.191233860e-01 4.18 -4.982028209e-01 -4.982028209e-01 4.20 -4.777751360e-01 -4.777751360e-01 4.22 -4.578029155e-01 -4.578029155e-01 4.24 -4.382557341e-01 -4.382557341e-01 4.26 -4.191106490e-01 -4.191106490e-01 4.28 -4.003524849e-01 -4.003524849e-01 4.30 -3.819739132e-01 -3.819739132e-01 4.32 -3.639753275e-01 -3.639753275e-01 4.34 -3.463645218e-01 -3.463645218e-01 4.36 -3.291561779e-01 -3.291561779e-01 4.38 -3.123711587e-01 -3.123711587e-01 4.40 -2.960355924e-01 -2.960355924e-01 4.42 -2.801797153e-01 -2.801797153e-01 4.44 -2.648364408e-01 -2.648364408e-01 4.46 -2.500396398e-01 -2.500396398e-01 4.48 -2.358221620e-01 -2.358221620e-01 4.50 -2.222136947e-01 -2.222136947e-01 4.52 -2.092386168e-01 -2.092386168e-01 4.54 -1.969140585e-01 -1.969140585e-01 4.56 -1.852483796e-01 -1.852483796e-01 4.58 -1.742402461e-01 -1.742402461e-01 4.60 -1.638784042e-01 -1.638784042e-01 4.62 -1.541421598e-01 -1.541421598e-01 4.64 -1.450024745e-01 -1.450024745e-01 4.66 -1.364235290e-01 -1.364235290e-01 4.68 -1.283645597e-01 -1.283645597e-01 4.70 -1.207817954e-01 -1.207817954e-01 4.72 -1.136303341e-01 -1.136303341e-01 4.74 -1.068657373e-01 -1.068657373e-01 4.76 -1.004451925e-01 -1.004451925e-01 4.78 -9.433005579e-02 -9.433005579e-02 4.80 -8.848571097e-02 -8.848571097e-02 4.82 -8.288216001e-02 -8.288216001e-02 4.84 -7.749453631e-02 -7.749453631e-02 4.86 -7.230337187e-02 -7.230337187e-02 4.88 -6.729462786e-02 -6.729462786e-02 4.90 -6.245951409e-02 -6.245951409e-02 4.92 -5.779410882e-02 -5.779410882e-02 4.94 -5.329879197e-02 -5.329879197e-02 4.96 -4.897751110e-02 -4.897751110e-02 4.98 -4.483690994e-02 -4.483690994e-02 5.00 -4.088536309e-02 -4.088536309e-02 5.02 -3.713197221e-02 -3.713197221e-02 5.04 -3.358558775e-02 -3.358558775e-02 5.06 -3.025392117e-02 -3.025392117e-02 5.08 -2.714280615e-02 -2.714280615e-02 5.10 -2.425565300e-02 -2.425565300e-02 5.12 -2.159311729e-02 -2.159311729e-02 5.14 -1.915299007e-02 -1.915299007e-02 5.16 -1.693028724e-02 -1.693028724e-02 5.18 -1.491750359e-02 -1.491750359e-02 5.20 -1.310491041e-02 -1.310491041e-02 5.22 -1.148083560e-02 -1.148083560e-02 5.24 -1.003292618e-02 -1.003292618e-02 5.26 -8.748039310e-03 -8.748039310e-03 5.28 -7.612610431e-03 -7.612610431e-03 5.30 -6.613055239e-03 -6.613055239e-03 5.32 -5.736095717e-03 -5.736095717e-03 5.34 -4.969009661e-03 -4.969009661e-03 5.36 -4.299808814e-03 -4.299808814e-03 5.38 -3.717354145e-03 -3.717354145e-03 5.40 -3.211418452e-03 -3.211418452e-03 5.42 -2.772706839e-03 -2.772706839e-03 5.44 -2.392845013e-03 -2.392845013e-03 5.46 -2.064344250e-03 -2.064344250e-03 5.48 -1.780550539e-03 -1.780550539e-03 5.50 -1.535583951e-03 -1.535583951e-03 5.52 -1.324273028e-03 -1.324273028e-03 5.54 -1.142087725e-03 -1.142087725e-03 5.56 -9.850735002e-04 -9.850735002e-04 5.58 -8.497883168e-04 -8.497883168e-04 5.60 -7.332436612e-04 -7.332436612e-04 5.62 -6.328502299e-04 -6.328502299e-04 5.64 -5.463685497e-04 -5.463685497e-04 5.66 -4.718645506e-04 -4.718645506e-04 5.68 -4.076699343e-04 -4.076699343e-04 5.70 -3.523470671e-04 -3.523470671e-04 5.72 -3.046580622e-04 -3.046580622e-04 5.74 -2.635376821e-04 -2.635376821e-04 5.76 -2.280696854e-04 -2.280696854e-04 5.78 -1.974662505e-04 -1.974662505e-04 5.80 -1.710501251e-04 -1.710501251e-04 5.82 -1.482391788e-04 -1.482391788e-04 5.84 -1.285330592e-04 -1.285330592e-04 5.86 -1.115016862e-04 -1.115016862e-04 5.88 -9.677534191e-05 -9.677534191e-05 5.90 -8.403614638e-05 -8.403614638e-05 5.92 -7.301073036e-05 -7.301073036e-05 5.94 -6.346394177e-05 -6.346394177e-05 5.96 -5.519344280e-05 -5.519344280e-05 5.98 -4.802507345e-05 -4.802507345e-05 6.00 -4.180887388e-05 -4.180887388e-05