# 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 = CuMo2Ni # 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 1.881230750e+02 1.881230750e+02 1.30 1.732130635e+02 1.732130635e+02 1.32 1.594819009e+02 1.594819009e+02 1.34 1.468236900e+02 1.468236900e+02 1.36 1.351388879e+02 1.351388879e+02 1.38 1.243362595e+02 1.243362595e+02 1.40 1.143347855e+02 1.143347855e+02 1.42 1.050647435e+02 1.050647435e+02 1.44 9.646715429e+01 9.646715429e+01 1.46 8.849173297e+01 8.849173297e+01 1.48 8.109441293e+01 8.109441293e+01 1.50 7.423548978e+01 7.423548978e+01 1.52 6.787871140e+01 6.787871140e+01 1.54 6.199090150e+01 6.199090150e+01 1.56 5.654154359e+01 5.654154359e+01 1.58 5.150221387e+01 5.150221387e+01 1.60 4.684615365e+01 4.684615365e+01 1.62 4.254813307e+01 4.254813307e+01 1.64 3.858440824e+01 3.858440824e+01 1.66 3.493252184e+01 3.493252184e+01 1.68 3.157092048e+01 3.157092048e+01 1.70 2.847917935e+01 2.847917935e+01 1.72 2.564104162e+01 2.564104162e+01 1.74 2.303617669e+01 2.303617669e+01 1.76 2.064344191e+01 2.064344191e+01 1.78 1.844233211e+01 1.844233211e+01 1.80 1.641377006e+01 1.641377006e+01 1.82 1.454070510e+01 1.454070510e+01 1.84 1.280856560e+01 1.280856560e+01 1.86 1.120538280e+01 1.120538280e+01 1.88 9.721554344e+00 9.721554344e+00 1.90 8.349349795e+00 8.349349795e+00 1.92 7.082323150e+00 7.082323150e+00 1.94 5.914783733e+00 5.914783733e+00 1.96 4.841410771e+00 4.841410771e+00 1.98 3.857020119e+00 3.857020119e+00 2.00 2.956440837e+00 2.956440837e+00 2.02 2.134451011e+00 2.134451011e+00 2.04 1.385744201e+00 1.385744201e+00 2.06 7.049243246e-01 7.049243246e-01 2.08 8.654002737e-02 8.654002737e-02 2.10 -4.748332728e-01 -4.748332728e-01 2.12 -9.844692325e-01 -9.844692325e-01 2.14 -1.447346556e+00 -1.447346556e+00 2.16 -1.868018167e+00 -1.868018167e+00 2.18 -2.250525090e+00 -2.250525090e+00 2.20 -2.598372395e+00 -2.598372395e+00 2.22 -2.914564922e+00 -2.914564922e+00 2.24 -3.201685250e+00 -3.201685250e+00 2.26 -3.461991337e+00 -3.461991337e+00 2.28 -3.697514245e+00 -3.697514245e+00 2.30 -3.910140722e+00 -3.910140722e+00 2.32 -4.101667463e+00 -4.101667463e+00 2.34 -4.273817248e+00 -4.273817248e+00 2.36 -4.428217257e+00 -4.428217257e+00 2.38 -4.566354796e+00 -4.566354796e+00 2.40 -4.689505908e+00 -4.689505908e+00 2.42 -4.798499851e+00 -4.798499851e+00 2.44 -4.894462735e+00 -4.894462735e+00 2.46 -4.978433045e+00 -4.978433045e+00 2.48 -5.051259966e+00 -5.051259966e+00 2.50 -5.113654407e+00 -5.113654407e+00 2.52 -5.166225597e+00 -5.166225597e+00 2.54 -5.209504768e+00 -5.209504768e+00 2.56 -5.243940611e+00 -5.243940611e+00 2.58 -5.269637676e+00 -5.269637676e+00 2.60 -5.286502464e+00 -5.286502464e+00 2.62 -5.294502420e+00 -5.294502420e+00 2.64 -5.293668875e+00 -5.293668875e+00 2.66 -5.284096321e+00 -5.284096321e+00 2.68 -5.265946600e+00 -5.265946600e+00 2.70 -5.239448038e+00 -5.239448038e+00 2.72 -5.204889206e+00 -5.204889206e+00 2.74 -5.162606743e+00 -5.162606743e+00 2.76 -5.112969067e+00 -5.112969067e+00 2.78 -5.056508161e+00 -5.056508161e+00 2.80 -4.993598197e+00 -4.993598197e+00 2.82 -4.924309124e+00 -4.924309124e+00 2.84 -4.848773999e+00 -4.848773999e+00 2.86 -4.767211972e+00 -4.767211972e+00 2.88 -4.679935566e+00 -4.679935566e+00 2.90 -4.587357806e+00 -4.587357806e+00 2.92 -4.489994929e+00 -4.489994929e+00 2.94 -4.388462262e+00 -4.388462262e+00 2.96 -4.283474672e+00 -4.283474672e+00 2.98 -4.175812486e+00 -4.175812486e+00 3.00 -4.066273476e+00 -4.066273476e+00 3.02 -3.955633071e+00 -3.955633071e+00 3.04 -3.844604287e+00 -3.844604287e+00 3.06 -3.733802079e+00 -3.733802079e+00 3.08 -3.623716506e+00 -3.623716506e+00 3.10 -3.514697471e+00 -3.514697471e+00 3.12 -3.406951820e+00 -3.406951820e+00 3.14 -3.300551783e+00 -3.300551783e+00 3.16 -3.195452472e+00 -3.195452472e+00 3.18 -3.091515596e+00 -3.091515596e+00 3.20 -2.988536683e+00 -2.988536683e+00 3.22 -2.886273531e+00 -2.886273531e+00 3.24 -2.784474255e+00 -2.784474255e+00 3.26 -2.682903835e+00 -2.682903835e+00 3.28 -2.581368357e+00 -2.581368357e+00 3.30 -2.479736254e+00 -2.479736254e+00 3.32 -2.377955795e+00 -2.377955795e+00 3.34 -2.276067898e+00 -2.276067898e+00 3.36 -2.174213298e+00 -2.174213298e+00 3.38 -2.072633162e+00 -2.072633162e+00 3.40 -1.971662547e+00 -1.971662547e+00 3.42 -1.871716637e+00 -1.871716637e+00 3.44 -1.773270423e+00 -1.773270423e+00 3.46 -1.676833266e+00 -1.676833266e+00 3.48 -1.582920479e+00 -1.582920479e+00 3.50 -1.492024538e+00 -1.492024538e+00 3.52 -1.404588575e+00 -1.404588575e+00 3.54 -1.320984528e+00 -1.320984528e+00 3.56 -1.241497653e+00 -1.241497653e+00 3.58 -1.166318240e+00 -1.166318240e+00 3.60 -1.095540488e+00 -1.095540488e+00 3.62 -1.029167733e+00 -1.029167733e+00 3.64 -9.671226833e-01 -9.671226833e-01 3.66 -9.092610841e-01 -9.092610841e-01 3.68 -8.553871947e-01 -8.553871947e-01 3.70 -8.052696661e-01 -8.052696661e-01 3.72 -7.586566604e-01 -7.586566604e-01 3.74 -7.152893589e-01 -7.152893589e-01 3.76 -6.749132750e-01 -6.749132750e-01 3.78 -6.372870184e-01 -6.372870184e-01 3.80 -6.021883404e-01 -6.021883404e-01 3.82 -5.694174564e-01 -5.694174564e-01 3.84 -5.387978074e-01 -5.387978074e-01 3.86 -5.101746012e-01 -5.101746012e-01 3.88 -4.834116468e-01 -4.834116468e-01 3.90 -4.583871384e-01 -4.583871384e-01 3.92 -4.349891101e-01 -4.349891101e-01 3.94 -4.131112385e-01 -4.131112385e-01 3.96 -3.926495187e-01 -3.926495187e-01 3.98 -3.735001089e-01 -3.735001089e-01 4.00 -3.555583896e-01 -3.555583896e-01 4.02 -3.387190702e-01 -3.387190702e-01 4.04 -3.228770453e-01 -3.228770453e-01 4.06 -3.079286642e-01 -3.079286642e-01 4.08 -2.937731090e-01 -2.937731090e-01 4.10 -2.803136691e-01 -2.803136691e-01 4.12 -2.674587942e-01 -2.674587942e-01 4.14 -2.551227398e-01 -2.551227398e-01 4.16 -2.432261049e-01 -2.432261049e-01 4.18 -2.316971533e-01 -2.316971533e-01 4.20 -2.204713067e-01 -2.204713067e-01 4.22 -2.094915209e-01 -2.094915209e-01 4.24 -1.987088213e-01 -1.987088213e-01 4.26 -1.880829086e-01 -1.880829086e-01 4.28 -1.775828484e-01 -1.775828484e-01 4.30 -1.671878078e-01 -1.671878078e-01 4.32 -1.568877609e-01 -1.568877609e-01 4.34 -1.466840393e-01 -1.466840393e-01 4.36 -1.365895807e-01 -1.365895807e-01 4.38 -1.266287148e-01 -1.266287148e-01 4.40 -1.168363456e-01 -1.168363456e-01 4.42 -1.072564366e-01 -1.072564366e-01 4.44 -9.793978343e-02 -9.793978343e-02 4.46 -8.894116168e-02 -8.894116168e-02 4.48 -8.031603977e-02 -8.031603977e-02 4.50 -7.211713665e-02 -7.211713665e-02 4.52 -6.439115162e-02 -6.439115162e-02 4.54 -5.717598892e-02 -5.717598892e-02 4.56 -5.049873871e-02 -5.049873871e-02 4.58 -4.437457086e-02 -4.437457086e-02 4.60 -3.880659203e-02 -3.880659203e-02 4.62 -3.378653710e-02 -3.378653710e-02 4.64 -2.929615030e-02 -2.929615030e-02 4.66 -2.530900384e-02 -2.530900384e-02 4.68 -2.179257297e-02 -2.179257297e-02 4.70 -1.871028779e-02 -1.871028779e-02 4.72 -1.602324362e-02 -1.602324362e-02 4.74 -1.369175096e-02 -1.369175096e-02 4.76 -1.167774762e-02 -1.167774762e-02 4.78 -9.944721328e-03 -9.944721328e-03 4.80 -8.458390324e-03 -8.458390324e-03 4.82 -7.187190091e-03 -7.187190091e-03 4.84 -6.102514407e-03 -6.102514407e-03 4.86 -5.178772258e-03 -5.178772258e-03 4.88 -4.393313441e-03 -4.393313441e-03 4.90 -3.726267260e-03 -3.726267260e-03 4.92 -3.160328959e-03 -3.160328959e-03 4.94 -2.680519921e-03 -2.680519921e-03 4.96 -2.273940330e-03 -2.273940330e-03 4.98 -1.929526988e-03 -1.929526988e-03 5.00 -1.637824442e-03 -1.637824442e-03 5.02 -1.390774104e-03 -1.390774104e-03 5.04 -1.181523617e-03 -1.181523617e-03 5.06 -1.004257054e-03 -1.004257054e-03 5.08 -8.540453691e-04 -8.540453691e-04 5.10 -7.267159184e-04 -7.267159184e-04 5.12 -6.187394255e-04 -6.187394255e-04 5.14 -5.271326515e-04 -5.271326515e-04 5.16 -4.493749840e-04 -4.493749840e-04 5.18 -3.833372330e-04 -3.833372330e-04 5.20 -3.272210361e-04 -3.272210361e-04 5.22 -2.795074255e-04 -2.795074255e-04 5.24 -2.389132579e-04 -2.389132579e-04 5.26 -2.043543658e-04 -2.043543658e-04 5.28 -1.749144324e-04 -1.749144324e-04 5.30 -1.498187244e-04 -1.498187244e-04 5.32 -1.284119427e-04 -1.284119427e-04 5.34 -1.101395526e-04 -1.101395526e-04 5.36 -9.453205294e-05 -9.453205294e-05 5.38 -8.119172298e-05 -8.119172298e-05 5.40 -6.978145762e-05 -6.978145762e-05 5.42 -6.001536080e-05 -6.001536080e-05 5.44 -5.165081898e-05 -5.165081898e-05 5.46 -4.448182006e-05 -4.448182006e-05 5.48 -3.833332028e-05 -3.833332028e-05 5.50 -3.305649277e-05 -3.305649277e-05 5.52 -2.852471819e-05 -2.852471819e-05 5.54 -2.463019989e-05 -2.463019989e-05 5.56 -2.128110483e-05 -2.128110483e-05 5.58 -1.839914733e-05 -1.839914733e-05 5.60 -1.591754592e-05 -1.591754592e-05 5.62 -1.377929465e-05 -1.377929465e-05 5.64 -1.193569962e-05 -1.193569962e-05 5.66 -1.034513923e-05 -1.034513923e-05 5.68 -8.972013327e-06 -8.972013327e-06 5.70 -7.785851892e-06 -7.785851892e-06 5.72 -6.760558532e-06 -6.760558532e-06 5.74 -5.873768037e-06 -5.873768037e-06 5.76 -5.106300377e-06 -5.106300377e-06 5.78 -4.441696406e-06 -4.441696406e-06 5.80 -3.865822769e-06 -3.865822769e-06 5.82 -3.366535482e-06 -3.366535482e-06 5.84 -2.933393280e-06 -2.933393280e-06 5.86 -2.557413215e-06 -2.557413215e-06 5.88 -2.230862131e-06 -2.230862131e-06 5.90 -1.947078656e-06 -1.947078656e-06 5.92 -1.700321113e-06 -1.700321113e-06 5.94 -1.485637525e-06 -1.485637525e-06 5.96 -1.298754412e-06 -1.298754412e-06 5.98 -1.135981609e-06 -1.135981609e-06 6.00 -9.941307494e-07 -9.941307494e-07