# 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 = Ag2MgPt # 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 3.142629977e+02 3.142629977e+02 1.30 2.915954968e+02 2.915954968e+02 1.32 2.705532566e+02 2.705532566e+02 1.34 2.510146293e+02 2.510146293e+02 1.36 2.328715577e+02 2.328715577e+02 1.38 2.160214564e+02 2.160214564e+02 1.40 2.003629912e+02 2.003629912e+02 1.42 1.857976555e+02 1.857976555e+02 1.44 1.722342564e+02 1.722342564e+02 1.46 1.595927304e+02 1.595927304e+02 1.48 1.478050611e+02 1.478050611e+02 1.50 1.368129741e+02 1.368129741e+02 1.52 1.265639307e+02 1.265639307e+02 1.54 1.170077459e+02 1.170077459e+02 1.56 1.080952035e+02 1.080952035e+02 1.58 9.977840781e+01 9.977840781e+01 1.60 9.201176467e+01 9.201176467e+01 1.62 8.475284946e+01 8.475284946e+01 1.64 7.796304355e+01 7.796304355e+01 1.66 7.163533164e+01 7.163533164e+01 1.68 6.578481279e+01 6.578481279e+01 1.70 6.037792111e+01 6.037792111e+01 1.72 5.538358953e+01 5.538358953e+01 1.74 5.077297403e+01 5.077297403e+01 1.76 4.651839056e+01 4.651839056e+01 1.78 4.259291361e+01 4.259291361e+01 1.80 3.897064414e+01 3.897064414e+01 1.82 3.562723276e+01 3.562723276e+01 1.84 3.254020304e+01 3.254020304e+01 1.86 2.968894177e+01 2.968894177e+01 1.88 2.705450186e+01 2.705450186e+01 1.90 2.461943953e+01 2.461943953e+01 1.92 2.236777293e+01 2.236777293e+01 1.94 2.028501763e+01 2.028501763e+01 1.96 1.835818764e+01 1.835818764e+01 1.98 1.657570288e+01 1.657570288e+01 2.00 1.492720363e+01 1.492720363e+01 2.02 1.340331627e+01 1.340331627e+01 2.04 1.199543008e+01 1.199543008e+01 2.06 1.069552616e+01 1.069552616e+01 2.08 9.496067338e+00 9.496067338e+00 2.10 8.389934827e+00 8.389934827e+00 2.12 7.370398284e+00 7.370398284e+00 2.14 6.431108780e+00 6.431108780e+00 2.16 5.566110651e+00 5.566110651e+00 2.18 4.769861649e+00 4.769861649e+00 2.20 4.037250996e+00 4.037250996e+00 2.22 3.363603666e+00 3.363603666e+00 2.24 2.744669631e+00 2.744669631e+00 2.26 2.176599055e+00 2.176599055e+00 2.28 1.655906465e+00 1.655906465e+00 2.30 1.179427956e+00 1.179427956e+00 2.32 7.442709886e-01 7.442709886e-01 2.34 3.477634897e-01 3.477634897e-01 2.36 -1.295078247e-02 -1.295078247e-02 2.38 -3.414003188e-01 -3.414003188e-01 2.40 -6.395827256e-01 -6.395827256e-01 2.42 -9.093551186e-01 -9.093551186e-01 2.44 -1.152578386e+00 -1.152578386e+00 2.46 -1.371106352e+00 -1.371106352e+00 2.48 -1.566772716e+00 -1.566772716e+00 2.50 -1.741380462e+00 -1.741380462e+00 2.52 -1.896693138e+00 -1.896693138e+00 2.54 -2.034423188e+00 -2.034423188e+00 2.56 -2.156212763e+00 -2.156212763e+00 2.58 -2.263607242e+00 -2.263607242e+00 2.60 -2.358027002e+00 -2.358027002e+00 2.62 -2.440744403e+00 -2.440744403e+00 2.64 -2.512871429e+00 -2.512871429e+00 2.66 -2.575356989e+00 -2.575356989e+00 2.68 -2.628995731e+00 -2.628995731e+00 2.70 -2.674444171e+00 -2.674444171e+00 2.72 -2.712242704e+00 -2.712242704e+00 2.74 -2.742840194e+00 -2.742840194e+00 2.76 -2.766617930e+00 -2.766617930e+00 2.78 -2.783910456e+00 -2.783910456e+00 2.80 -2.795023184e+00 -2.795023184e+00 2.82 -2.800245496e+00 -2.800245496e+00 2.84 -2.799863474e+00 -2.799863474e+00 2.86 -2.794292367e+00 -2.794292367e+00 2.88 -2.783869196e+00 -2.783869196e+00 2.90 -2.768794475e+00 -2.768794475e+00 2.92 -2.749340125e+00 -2.749340125e+00 2.94 -2.725850458e+00 -2.725850458e+00 2.96 -2.698736107e+00 -2.698736107e+00 2.98 -2.668459080e+00 -2.668459080e+00 3.00 -2.635509317e+00 -2.635509317e+00 3.02 -2.600376118e+00 -2.600376118e+00 3.04 -2.563521868e+00 -2.563521868e+00 3.06 -2.525367320e+00 -2.525367320e+00 3.08 -2.486266072e+00 -2.486266072e+00 3.10 -2.446498682e+00 -2.446498682e+00 3.12 -2.406313510e+00 -2.406313510e+00 3.14 -2.365955757e+00 -2.365955757e+00 3.16 -2.325595239e+00 -2.325595239e+00 3.18 -2.285338409e+00 -2.285338409e+00 3.20 -2.245247562e+00 -2.245247562e+00 3.22 -2.205356556e+00 -2.205356556e+00 3.24 -2.165682937e+00 -2.165682937e+00 3.26 -2.126236832e+00 -2.126236832e+00 3.28 -2.087027040e+00 -2.087027040e+00 3.30 -2.048072116e+00 -2.048072116e+00 3.32 -2.009396093e+00 -2.009396093e+00 3.34 -1.971005497e+00 -1.971005497e+00 3.36 -1.932913149e+00 -1.932913149e+00 3.38 -1.895137511e+00 -1.895137511e+00 3.40 -1.857701158e+00 -1.857701158e+00 3.42 -1.820629529e+00 -1.820629529e+00 3.44 -1.783949486e+00 -1.783949486e+00 3.46 -1.747688431e+00 -1.747688431e+00 3.48 -1.711871740e+00 -1.711871740e+00 3.50 -1.676508015e+00 -1.676508015e+00 3.52 -1.641597104e+00 -1.641597104e+00 3.54 -1.607140742e+00 -1.607140742e+00 3.56 -1.573141371e+00 -1.573141371e+00 3.58 -1.539601062e+00 -1.539601062e+00 3.60 -1.506520624e+00 -1.506520624e+00 3.62 -1.473898888e+00 -1.473898888e+00 3.64 -1.441732185e+00 -1.441732185e+00 3.66 -1.410014011e+00 -1.410014011e+00 3.68 -1.378734889e+00 -1.378734889e+00 3.70 -1.347882415e+00 -1.347882415e+00 3.72 -1.317441503e+00 -1.317441503e+00 3.74 -1.287394802e+00 -1.287394802e+00 3.76 -1.257723260e+00 -1.257723260e+00 3.78 -1.228406782e+00 -1.228406782e+00 3.80 -1.199424929e+00 -1.199424929e+00 3.82 -1.170757575e+00 -1.170757575e+00 3.84 -1.142385456e+00 -1.142385456e+00 3.86 -1.114290537e+00 -1.114290537e+00 3.88 -1.086456186e+00 -1.086456186e+00 3.90 -1.058867146e+00 -1.058867146e+00 3.92 -1.031509318e+00 -1.031509318e+00 3.94 -1.004369774e+00 -1.004369774e+00 3.96 -9.774362248e-01 -9.774362248e-01 3.98 -9.506972878e-01 -9.506972878e-01 4.00 -9.241426714e-01 -9.241426714e-01 4.02 -8.977637413e-01 -8.977637413e-01 4.04 -8.715544123e-01 -8.715544123e-01 4.06 -8.455123338e-01 -8.455123338e-01 4.08 -8.196402835e-01 -8.196402835e-01 4.10 -7.939473636e-01 -7.939473636e-01 4.12 -7.684514802e-01 -7.684514802e-01 4.14 -7.431785637e-01 -7.431785637e-01 4.16 -7.181642742e-01 -7.181642742e-01 4.18 -6.934533448e-01 -6.934533448e-01 4.20 -6.690983862e-01 -6.690983862e-01 4.22 -6.451578205e-01 -6.451578205e-01 4.24 -6.216930834e-01 -6.216930834e-01 4.26 -5.987653590e-01 -5.987653590e-01 4.28 -5.764321849e-01 -5.764321849e-01 4.30 -5.547442820e-01 -5.547442820e-01 4.32 -5.337429105e-01 -5.337429105e-01 4.34 -5.134579535e-01 -5.134579535e-01 4.36 -4.939068174e-01 -4.939068174e-01 4.38 -4.750941299e-01 -4.750941299e-01 4.40 -4.570121404e-01 -4.570121404e-01 4.42 -4.396416861e-01 -4.396416861e-01 4.44 -4.229535696e-01 -4.229535696e-01 4.46 -4.069102002e-01 -4.069102002e-01 4.48 -3.914673706e-01 -3.914673706e-01 4.50 -3.765760584e-01 -3.765760584e-01 4.52 -3.621841745e-01 -3.621841745e-01 4.54 -3.482382014e-01 -3.482382014e-01 4.56 -3.346846958e-01 -3.346846958e-01 4.58 -3.214716484e-01 -3.214716484e-01 4.60 -3.085497133e-01 -3.085497133e-01 4.62 -2.958733287e-01 -2.958733287e-01 4.64 -2.834017513e-01 -2.834017513e-01 4.66 -2.711000198e-01 -2.711000198e-01 4.68 -2.589398496e-01 -2.589398496e-01 4.70 -2.469004414e-01 -2.469004414e-01 4.72 -2.349691654e-01 -2.349691654e-01 4.74 -2.231420633e-01 -2.231420633e-01 4.76 -2.114240982e-01 -2.114240982e-01 4.78 -1.998290784e-01 -1.998290784e-01 4.80 -1.883789978e-01 -1.883789978e-01 4.82 -1.771039638e-01 -1.771039638e-01 4.84 -1.660396029e-01 -1.660396029e-01 4.86 -1.552262767e-01 -1.552262767e-01 4.88 -1.447068852e-01 -1.447068852e-01 4.90 -1.345247693e-01 -1.345247693e-01 4.92 -1.247216283e-01 -1.247216283e-01 4.94 -1.153356086e-01 -1.153356086e-01 4.96 -1.063996941e-01 -1.063996941e-01 4.98 -9.794049012e-02 -9.794049012e-02 5.00 -8.997744354e-02 -8.997744354e-02 5.02 -8.252249817e-02 -8.252249817e-02 5.04 -7.558014427e-02 -7.558014427e-02 5.06 -6.914779866e-02 -6.914779866e-02 5.08 -6.321644117e-02 -6.321644117e-02 5.10 -5.777142532e-02 -5.777142532e-02 5.12 -5.279338622e-02 -5.279338622e-02 5.14 -4.825921308e-02 -4.825921308e-02 5.16 -4.414301092e-02 -4.414301092e-02 5.18 -4.041701601e-02 -4.041701601e-02 5.20 -3.705212522e-02 -3.705212522e-02 5.22 -3.401869664e-02 -3.401869664e-02 5.24 -3.128850637e-02 -3.128850637e-02 5.26 -2.883400033e-02 -2.883400033e-02 5.28 -2.662904009e-02 -2.662904009e-02 5.30 -2.464859322e-02 -2.464859322e-02 5.32 -2.286900112e-02 -2.286900112e-02 5.34 -2.126850446e-02 -2.126850446e-02 5.36 -1.982727054e-02 -1.982727054e-02 5.38 -1.852736470e-02 -1.852736470e-02 5.40 -1.735267938e-02 -1.735267938e-02 5.42 -1.628883310e-02 -1.628883310e-02 5.44 -1.532301588e-02 -1.532301588e-02 5.46 -1.444386278e-02 -1.444386278e-02 5.48 -1.364143568e-02 -1.364143568e-02 5.50 -1.290699033e-02 -1.290699033e-02 5.52 -1.223284318e-02 -1.223284318e-02 5.54 -1.161224920e-02 -1.161224920e-02 5.56 -1.103928871e-02 -1.103928871e-02 5.58 -1.050876428e-02 -1.050876428e-02 5.60 -1.001610838e-02 -1.001610838e-02 5.62 -9.557301602e-03 -9.557301602e-03 5.64 -9.128800977e-03 -9.128800977e-03 5.66 -8.727477688e-03 -8.727477688e-03 5.68 -8.350563095e-03 -8.350563095e-03 5.70 -7.995602126e-03 -7.995602126e-03 5.72 -7.660413002e-03 -7.660413002e-03 5.74 -7.343052407e-03 -7.343052407e-03 5.76 -7.041785296e-03 -7.041785296e-03 5.78 -6.755058672e-03 -6.755058672e-03 5.80 -6.481478808e-03 -6.481478808e-03 5.82 -6.219791453e-03 -6.219791453e-03 5.84 -5.968864713e-03 -5.968864713e-03 5.86 -5.727674308e-03 -5.727674308e-03 5.88 -5.495291025e-03 -5.495291025e-03 5.90 -5.270870189e-03 -5.270870189e-03 5.92 -5.053643028e-03 -5.053643028e-03 5.94 -4.842909816e-03 -4.842909816e-03 5.96 -4.638034726e-03 -4.638034726e-03 5.98 -4.438442281e-03 -4.438442281e-03 6.00 -4.243615328e-03 -4.243615328e-03