# 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 = AgFe2Zr # 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 2.639468122e+02 2.639468122e+02 1.30 2.428078728e+02 2.428078728e+02 1.32 2.233335097e+02 2.233335097e+02 1.34 2.053815702e+02 2.053815702e+02 1.36 1.888251598e+02 1.888251598e+02 1.38 1.735509604e+02 1.735509604e+02 1.40 1.594573145e+02 1.594573145e+02 1.42 1.464522135e+02 1.464522135e+02 1.44 1.344517354e+02 1.344517354e+02 1.46 1.233793459e+02 1.233793459e+02 1.48 1.131656059e+02 1.131656059e+02 1.50 1.037473779e+02 1.037473779e+02 1.52 9.506634535e+01 9.506634535e+01 1.54 8.706749068e+01 8.706749068e+01 1.56 7.969828412e+01 7.969828412e+01 1.58 7.290879431e+01 7.290879431e+01 1.60 6.665215852e+01 6.665215852e+01 1.62 6.088487705e+01 6.088487705e+01 1.64 5.556681656e+01 5.556681656e+01 1.66 5.066109926e+01 5.066109926e+01 1.68 4.613400848e+01 4.613400848e+01 1.70 4.195496797e+01 4.195496797e+01 1.72 3.809641848e+01 3.809641848e+01 1.74 3.453366347e+01 3.453366347e+01 1.76 3.124491987e+01 3.124491987e+01 1.78 2.820978446e+01 2.820978446e+01 1.80 2.540988378e+01 2.540988378e+01 1.82 2.282874165e+01 2.282874165e+01 1.84 2.044997975e+01 2.044997975e+01 1.86 1.825833018e+01 1.825833018e+01 1.88 1.623963527e+01 1.623963527e+01 1.90 1.438085624e+01 1.438085624e+01 1.92 1.266999344e+01 1.266999344e+01 1.94 1.109593909e+01 1.109593909e+01 1.96 9.648273670e+00 9.648273670e+00 1.98 8.317152800e+00 8.317152800e+00 2.00 7.093290486e+00 7.093290486e+00 2.02 5.968005262e+00 5.968005262e+00 2.04 4.933285374e+00 4.933285374e+00 2.06 3.981827181e+00 3.981827181e+00 2.08 3.107022564e+00 3.107022564e+00 2.10 2.302906108e+00 2.302906108e+00 2.12 1.564092237e+00 1.564092237e+00 2.14 8.857077038e-01 8.857077038e-01 2.16 2.633438542e-01 2.633438542e-01 2.18 -3.070010736e-01 -3.070010736e-01 2.20 -8.289805201e-01 -8.289805201e-01 2.22 -1.305972673e+00 -1.305972673e+00 2.24 -1.741132022e+00 -1.741132022e+00 2.26 -2.137414071e+00 -2.137414071e+00 2.28 -2.497585022e+00 -2.497585022e+00 2.30 -2.824201515e+00 -2.824201515e+00 2.32 -3.119632032e+00 -3.119632032e+00 2.34 -3.386045137e+00 -3.386045137e+00 2.36 -3.625448449e+00 -3.625448449e+00 2.38 -3.839711540e+00 -3.839711540e+00 2.40 -4.030592692e+00 -4.030592692e+00 2.42 -4.199777836e+00 -4.199777836e+00 2.44 -4.348945556e+00 -4.348945556e+00 2.46 -4.479574924e+00 -4.479574924e+00 2.48 -4.593087751e+00 -4.593087751e+00 2.50 -4.690875041e+00 -4.690875041e+00 2.52 -4.774279405e+00 -4.774279405e+00 2.54 -4.844576063e+00 -4.844576063e+00 2.56 -4.902951015e+00 -4.902951015e+00 2.58 -4.950361163e+00 -4.950361163e+00 2.60 -4.987564523e+00 -4.987564523e+00 2.62 -5.015277755e+00 -5.015277755e+00 2.64 -5.034185408e+00 -5.034185408e+00 2.66 -5.044919972e+00 -5.044919972e+00 2.68 -5.048068738e+00 -5.048068738e+00 2.70 -5.044170160e+00 -5.044170160e+00 2.72 -5.033716245e+00 -5.033716245e+00 2.74 -5.017157138e+00 -5.017157138e+00 2.76 -4.994906223e+00 -4.994906223e+00 2.78 -4.967342160e+00 -4.967342160e+00 2.80 -4.934821579e+00 -4.934821579e+00 2.82 -4.897666781e+00 -4.897666781e+00 2.84 -4.856186530e+00 -4.856186530e+00 2.86 -4.810659897e+00 -4.810659897e+00 2.88 -4.761347460e+00 -4.761347460e+00 2.90 -4.708502542e+00 -4.708502542e+00 2.92 -4.652374011e+00 -4.652374011e+00 2.94 -4.593223784e+00 -4.593223784e+00 2.96 -4.531400539e+00 -4.531400539e+00 2.98 -4.467057054e+00 -4.467057054e+00 3.00 -4.400303240e+00 -4.400303240e+00 3.02 -4.331126555e+00 -4.331126555e+00 3.04 -4.259487863e+00 -4.259487863e+00 3.06 -4.185413493e+00 -4.185413493e+00 3.08 -4.108969739e+00 -4.108969739e+00 3.10 -4.030268637e+00 -4.030268637e+00 3.12 -3.949461558e+00 -3.949461558e+00 3.14 -3.866732951e+00 -3.866732951e+00 3.16 -3.782285954e+00 -3.782285954e+00 3.18 -3.696353556e+00 -3.696353556e+00 3.20 -3.609198653e+00 -3.609198653e+00 3.22 -3.521116257e+00 -3.521116257e+00 3.24 -3.432434214e+00 -3.432434214e+00 3.26 -3.343511285e+00 -3.343511285e+00 3.28 -3.254731469e+00 -3.254731469e+00 3.30 -3.166493802e+00 -3.166493802e+00 3.32 -3.079197654e+00 -3.079197654e+00 3.34 -2.993224829e+00 -2.993224829e+00 3.36 -2.908920892e+00 -2.908920892e+00 3.38 -2.826578759e+00 -2.826578759e+00 3.40 -2.746425969e+00 -2.746425969e+00 3.42 -2.668624977e+00 -2.668624977e+00 3.44 -2.593266023e+00 -2.593266023e+00 3.46 -2.520379722e+00 -2.520379722e+00 3.48 -2.449945251e+00 -2.449945251e+00 3.50 -2.381901574e+00 -2.381901574e+00 3.52 -2.316158513e+00 -2.316158513e+00 3.54 -2.252606698e+00 -2.252606698e+00 3.56 -2.191125872e+00 -2.191125872e+00 3.58 -2.131591428e+00 -2.131591428e+00 3.60 -2.073879289e+00 -2.073879289e+00 3.62 -2.017869379e+00 -2.017869379e+00 3.64 -1.963447988e+00 -1.963447988e+00 3.66 -1.910509336e+00 -1.910509336e+00 3.68 -1.858956620e+00 -1.858956620e+00 3.70 -1.808702784e+00 -1.808702784e+00 3.72 -1.759671176e+00 -1.759671176e+00 3.74 -1.711796214e+00 -1.711796214e+00 3.76 -1.665024054e+00 -1.665024054e+00 3.78 -1.619313182e+00 -1.619313182e+00 3.80 -1.574634731e+00 -1.574634731e+00 3.82 -1.530972278e+00 -1.530972278e+00 3.84 -1.488320828e+00 -1.488320828e+00 3.86 -1.446684818e+00 -1.446684818e+00 3.88 -1.406075099e+00 -1.406075099e+00 3.90 -1.366505159e+00 -1.366505159e+00 3.92 -1.327985542e+00 -1.327985542e+00 3.94 -1.290526444e+00 -1.290526444e+00 3.96 -1.254124853e+00 -1.254124853e+00 3.98 -1.218770111e+00 -1.218770111e+00 4.00 -1.184441906e+00 -1.184441906e+00 4.02 -1.151111357e+00 -1.151111357e+00 4.04 -1.118742932e+00 -1.118742932e+00 4.06 -1.087296740e+00 -1.087296740e+00 4.08 -1.056730836e+00 -1.056730836e+00 4.10 -1.026998630e+00 -1.026998630e+00 4.12 -9.980698516e-01 -9.980698516e-01 4.14 -9.699012719e-01 -9.699012719e-01 4.16 -9.424589701e-01 -9.424589701e-01 4.18 -9.157131215e-01 -9.157131215e-01 4.20 -8.896382256e-01 -8.896382256e-01 4.22 -8.642131297e-01 -8.642131297e-01 4.24 -8.394208761e-01 -8.394208761e-01 4.26 -8.152483906e-01 -8.152483906e-01 4.28 -7.916860171e-01 -7.916860171e-01 4.30 -7.687269066e-01 -7.687269066e-01 4.32 -7.463662780e-01 -7.463662780e-01 4.34 -7.246005869e-01 -7.246005869e-01 4.36 -7.034266567e-01 -7.034266567e-01 4.38 -6.828408362e-01 -6.828408362e-01 4.40 -6.628382598e-01 -6.628382598e-01 4.42 -6.434122684e-01 -6.434122684e-01 4.44 -6.245540347e-01 -6.245540347e-01 4.46 -6.062523760e-01 -6.062523760e-01 4.48 -5.884936478e-01 -5.884936478e-01 4.50 -5.712625035e-01 -5.712625035e-01 4.52 -5.545418925e-01 -5.545418925e-01 4.54 -5.383133982e-01 -5.383133982e-01 4.56 -5.225576895e-01 -5.225576895e-01 4.58 -5.072549477e-01 -5.072549477e-01 4.60 -4.923852430e-01 -4.923852430e-01 4.62 -4.779288503e-01 -4.779288503e-01 4.64 -4.638665023e-01 -4.638665023e-01 4.66 -4.501795874e-01 -4.501795874e-01 4.68 -4.368503028e-01 -4.368503028e-01 4.70 -4.238617762e-01 -4.238617762e-01 4.72 -4.111981690e-01 -4.111981690e-01 4.74 -3.988447701e-01 -3.988447701e-01 4.76 -3.867880892e-01 -3.867880892e-01 4.78 -3.750159537e-01 -3.750159537e-01 4.80 -3.635144307e-01 -3.635144307e-01 4.82 -3.522811786e-01 -3.522811786e-01 4.84 -3.413047520e-01 -3.413047520e-01 4.86 -3.305792122e-01 -3.305792122e-01 4.88 -3.201003277e-01 -3.201003277e-01 4.90 -3.098655569e-01 -3.098655569e-01 4.92 -2.998739655e-01 -2.998739655e-01 4.94 -2.901260648e-01 -2.901260648e-01 4.96 -2.806235685e-01 -2.806235685e-01 4.98 -2.713690682e-01 -2.713690682e-01 5.00 -2.623656425e-01 -2.623656425e-01 5.02 -2.536164218e-01 -2.536164218e-01 5.04 -2.451241386e-01 -2.451241386e-01 5.06 -2.368906993e-01 -2.368906993e-01 5.08 -2.289168119e-01 -2.289168119e-01 5.10 -2.212016990e-01 -2.212016990e-01 5.12 -2.137429186e-01 -2.137429186e-01 5.14 -2.065363025e-01 -2.065363025e-01 5.16 -1.995760104e-01 -1.995760104e-01 5.18 -1.928546884e-01 -1.928546884e-01 5.20 -1.863637135e-01 -1.863637135e-01 5.22 -1.800934991e-01 -1.800934991e-01 5.24 -1.740338388e-01 -1.740338388e-01 5.26 -1.681742642e-01 -1.681742642e-01 5.28 -1.625043973e-01 -1.625043973e-01 5.30 -1.570142805e-01 -1.570142805e-01 5.32 -1.516946696e-01 -1.516946696e-01 5.34 -1.465372792e-01 -1.465372792e-01 5.36 -1.415349704e-01 -1.415349704e-01 5.38 -1.366818710e-01 -1.366818710e-01 5.40 -1.319734234e-01 -1.319734234e-01 5.42 -1.274063537e-01 -1.274063537e-01 5.44 -1.229785627e-01 -1.229785627e-01 5.46 -1.186889437e-01 -1.186889437e-01 5.48 -1.145371361e-01 -1.145371361e-01 5.50 -1.105232355e-01 -1.105232355e-01 5.52 -1.066474817e-01 -1.066474817e-01 5.54 -1.029099507e-01 -1.029099507e-01 5.56 -9.931027694e-02 -9.931027694e-02 5.58 -9.584742767e-02 -9.584742767e-02 5.60 -9.251941897e-02 -9.251941897e-02 5.62 -8.932342347e-02 -8.932342347e-02 5.64 -8.625588095e-02 -8.625588095e-02 5.66 -8.331232647e-02 -8.331232647e-02 5.68 -8.048750247e-02 -8.048750247e-02 5.70 -7.777550399e-02 -7.777550399e-02 5.72 -7.516993875e-02 -7.516993875e-02 5.74 -7.266408692e-02 -7.266408692e-02 5.76 -7.025104940e-02 -7.025104940e-02 5.78 -6.792387675e-02 -6.792387675e-02 5.80 -6.567567555e-02 -6.567567555e-02 5.82 -6.349969109e-02 -6.349969109e-02 5.84 -6.138936858e-02 -6.138936858e-02 5.86 -5.933839555e-02 -5.933839555e-02 5.88 -5.734072998e-02 -5.734072998e-02 5.90 -5.539061793e-02 -5.539061793e-02 5.92 -5.348260528e-02 -5.348260528e-02 5.94 -5.161154726e-02 -5.161154726e-02 5.96 -4.977261922e-02 -4.977261922e-02 5.98 -4.796133153e-02 -4.796133153e-02 6.00 -4.617355088e-02 -4.617355088e-02