# 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 = Au2NiPd # 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 2.897379519e+02 2.897379519e+02 1.30 2.683681293e+02 2.683681293e+02 1.32 2.485733210e+02 2.485733210e+02 1.34 2.302310712e+02 2.302310712e+02 1.36 2.132276946e+02 2.132276946e+02 1.38 1.974569655e+02 1.974569655e+02 1.40 1.828208597e+02 1.828208597e+02 1.42 1.692302399e+02 1.692302399e+02 1.44 1.566045055e+02 1.566045055e+02 1.46 1.448705609e+02 1.448705609e+02 1.48 1.339617115e+02 1.339617115e+02 1.50 1.238167393e+02 1.238167393e+02 1.52 1.143791106e+02 1.143791106e+02 1.54 1.055962656e+02 1.055962656e+02 1.56 9.741911630e+01 9.741911630e+01 1.58 8.980187804e+01 8.980187804e+01 1.60 8.270212693e+01 8.270212693e+01 1.62 7.608084064e+01 7.608084064e+01 1.64 6.990228551e+01 6.990228551e+01 1.66 6.413380209e+01 6.413380209e+01 1.68 5.874559812e+01 5.874559812e+01 1.70 5.371277903e+01 5.371277903e+01 1.72 4.903244714e+01 4.903244714e+01 1.74 4.469600582e+01 4.469600582e+01 1.76 4.068775204e+01 4.068775204e+01 1.78 3.698418635e+01 3.698418635e+01 1.80 3.356336992e+01 3.356336992e+01 1.82 3.040460743e+01 3.040460743e+01 1.84 2.748834792e+01 2.748834792e+01 1.86 2.479628968e+01 2.479628968e+01 1.88 2.231155304e+01 2.231155304e+01 1.90 2.001876190e+01 2.001876190e+01 1.92 1.790395325e+01 1.790395325e+01 1.94 1.595434625e+01 1.595434625e+01 1.96 1.415807548e+01 1.415807548e+01 1.98 1.250399113e+01 1.250399113e+01 2.00 1.098157043e+01 1.098157043e+01 2.02 9.580918476e+00 9.580918476e+00 2.04 8.292803994e+00 8.292803994e+00 2.06 7.108682917e+00 7.108682917e+00 2.08 6.020690275e+00 6.020690275e+00 2.10 5.021605142e+00 5.021605142e+00 2.12 4.104802043e+00 4.104802043e+00 2.14 3.264198817e+00 3.264198817e+00 2.16 2.494204769e+00 2.494204769e+00 2.18 1.789670364e+00 1.789670364e+00 2.20 1.145840599e+00 1.145840599e+00 2.22 5.583151774e-01 5.583151774e-01 2.24 2.301742820e-02 2.301742820e-02 2.26 -4.638289350e-01 -4.638289350e-01 2.28 -9.057189618e-01 -9.057189618e-01 2.30 -1.305886535e+00 -1.305886535e+00 2.32 -1.667329001e+00 -1.667329001e+00 2.34 -1.992835986e+00 -1.992835986e+00 2.36 -2.285017549e+00 -2.285017549e+00 2.38 -2.546325281e+00 -2.546325281e+00 2.40 -2.779063147e+00 -2.779063147e+00 2.42 -2.985390738e+00 -2.985390738e+00 2.44 -3.167325602e+00 -3.167325602e+00 2.46 -3.326750672e+00 -3.326750672e+00 2.48 -3.465428280e+00 -3.465428280e+00 2.50 -3.585017475e+00 -3.585017475e+00 2.52 -3.687089494e+00 -3.687089494e+00 2.54 -3.773137654e+00 -3.773137654e+00 2.56 -3.844581622e+00 -3.844581622e+00 2.58 -3.902763325e+00 -3.902763325e+00 2.60 -3.948944299e+00 -3.948944299e+00 2.62 -3.984298726e+00 -3.984298726e+00 2.64 -4.009987895e+00 -4.009987895e+00 2.66 -4.027136356e+00 -4.027136356e+00 2.68 -4.036758166e+00 -4.036758166e+00 2.70 -4.039316323e+00 -4.039316323e+00 2.72 -4.035098413e+00 -4.035098413e+00 2.74 -4.024340742e+00 -4.024340742e+00 2.76 -4.007317271e+00 -4.007317271e+00 2.78 -3.984332481e+00 -3.984332481e+00 2.80 -3.955708397e+00 -3.955708397e+00 2.82 -3.921775574e+00 -3.921775574e+00 2.84 -3.882912960e+00 -3.882912960e+00 2.86 -3.839511338e+00 -3.839511338e+00 2.88 -3.791958495e+00 -3.791958495e+00 2.90 -3.740641452e+00 -3.740641452e+00 2.92 -3.685947312e+00 -3.685947312e+00 2.94 -3.628262016e+00 -3.628262016e+00 2.96 -3.567967291e+00 -3.567967291e+00 2.98 -3.505436795e+00 -3.505436795e+00 3.00 -3.441032615e+00 -3.441032615e+00 3.02 -3.375102656e+00 -3.375102656e+00 3.04 -3.307978634e+00 -3.307978634e+00 3.06 -3.239973835e+00 -3.239973835e+00 3.08 -3.171379936e+00 -3.171379936e+00 3.10 -3.102462943e+00 -3.102462943e+00 3.12 -3.033459076e+00 -3.033459076e+00 3.14 -2.964571842e+00 -2.964571842e+00 3.16 -2.895971258e+00 -2.895971258e+00 3.18 -2.827795560e+00 -2.827795560e+00 3.20 -2.760154949e+00 -2.760154949e+00 3.22 -2.693136524e+00 -2.693136524e+00 3.24 -2.626809478e+00 -2.626809478e+00 3.26 -2.561229828e+00 -2.561229828e+00 3.28 -2.496444292e+00 -2.496444292e+00 3.30 -2.432493185e+00 -2.432493185e+00 3.32 -2.369412403e+00 -2.369412403e+00 3.34 -2.307234643e+00 -2.307234643e+00 3.36 -2.245990036e+00 -2.245990036e+00 3.38 -2.185706353e+00 -2.185706353e+00 3.40 -2.126408910e+00 -2.126408910e+00 3.42 -2.068120302e+00 -2.068120302e+00 3.44 -2.010860044e+00 -2.010860044e+00 3.46 -1.954644233e+00 -1.954644233e+00 3.48 -1.899485263e+00 -1.899485263e+00 3.50 -1.845391669e+00 -1.845391669e+00 3.52 -1.792368093e+00 -1.792368093e+00 3.54 -1.740415394e+00 -1.740415394e+00 3.56 -1.689530857e+00 -1.689530857e+00 3.58 -1.639708462e+00 -1.639708462e+00 3.60 -1.590939200e+00 -1.590939200e+00 3.62 -1.543211381e+00 -1.543211381e+00 3.64 -1.496510944e+00 -1.496510944e+00 3.66 -1.450821798e+00 -1.450821798e+00 3.68 -1.406126196e+00 -1.406126196e+00 3.70 -1.362405218e+00 -1.362405218e+00 3.72 -1.319639370e+00 -1.319639370e+00 3.74 -1.277809313e+00 -1.277809313e+00 3.76 -1.236896690e+00 -1.236896690e+00 3.78 -1.196884968e+00 -1.196884968e+00 3.80 -1.157760182e+00 -1.157760182e+00 3.82 -1.119511437e+00 -1.119511437e+00 3.84 -1.082131028e+00 -1.082131028e+00 3.86 -1.045614098e+00 -1.045614098e+00 3.88 -1.009957810e+00 -1.009957810e+00 3.90 -9.751601437e-01 -9.751601437e-01 3.92 -9.412184926e-01 -9.412184926e-01 3.94 -9.081283292e-01 -9.081283292e-01 3.96 -8.758821704e-01 -8.758821704e-01 3.98 -8.444690501e-01 -8.444690501e-01 4.00 -8.138745589e-01 -8.138745589e-01 4.02 -7.840814126e-01 -7.840814126e-01 4.04 -7.550703950e-01 -7.550703950e-01 4.06 -7.268214727e-01 -7.268214727e-01 4.08 -6.993148677e-01 -6.993148677e-01 4.10 -6.725319192e-01 -6.725319192e-01 4.12 -6.464556448e-01 -6.464556448e-01 4.14 -6.210709533e-01 -6.210709533e-01 4.16 -5.963646015e-01 -5.963646015e-01 4.18 -5.723249639e-01 -5.723249639e-01 4.20 -5.489417436e-01 -5.489417436e-01 4.22 -5.262057188e-01 -5.262057188e-01 4.24 -5.041085834e-01 -5.041085834e-01 4.26 -4.826428848e-01 -4.826428848e-01 4.28 -4.618020245e-01 -4.618020245e-01 4.30 -4.415802621e-01 -4.415802621e-01 4.32 -4.219726677e-01 -4.219726677e-01 4.34 -4.029749897e-01 -4.029749897e-01 4.36 -3.845834337e-01 -3.845834337e-01 4.38 -3.667943716e-01 -3.667943716e-01 4.40 -3.496040071e-01 -3.496040071e-01 4.42 -3.330080197e-01 -3.330080197e-01 4.44 -3.170011925e-01 -3.170011925e-01 4.46 -3.015770225e-01 -3.015770225e-01 4.48 -2.867273137e-01 -2.867273137e-01 4.50 -2.724417684e-01 -2.724417684e-01 4.52 -2.587076211e-01 -2.587076211e-01 4.54 -2.455093798e-01 -2.455093798e-01 4.56 -2.328287473e-01 -2.328287473e-01 4.58 -2.206447847e-01 -2.206447847e-01 4.60 -2.089343447e-01 -2.089343447e-01 4.62 -1.976727602e-01 -1.976727602e-01 4.64 -1.868347280e-01 -1.868347280e-01 4.66 -1.763952971e-01 -1.763952971e-01 4.68 -1.663308510e-01 -1.663308510e-01 4.70 -1.566199826e-01 -1.566199826e-01 4.72 -1.472441750e-01 -1.472441750e-01 4.74 -1.381882380e-01 -1.381882380e-01 4.76 -1.294404845e-01 -1.294404845e-01 4.78 -1.209926656e-01 -1.209926656e-01 4.80 -1.128397112e-01 -1.128397112e-01 4.82 -1.049793452e-01 -1.049793452e-01 4.84 -9.741162361e-02 -9.741162361e-02 4.86 -9.013847422e-02 -9.013847422e-02 4.88 -8.316325538e-02 -8.316325538e-02 4.90 -7.649035683e-02 -7.649035683e-02 4.92 -7.012482929e-02 -7.012482929e-02 4.94 -6.407200455e-02 -6.407200455e-02 4.96 -5.833676734e-02 -5.833676734e-02 4.98 -5.292402672e-02 -5.292402672e-02 5.00 -4.783787395e-02 -4.783787395e-02 5.02 -4.308087995e-02 -4.308087995e-02 5.04 -3.865368858e-02 -3.865368858e-02 5.06 -3.455465767e-02 -3.455465767e-02 5.08 -3.077959631e-02 -3.077959631e-02 5.10 -2.732162746e-02 -2.732162746e-02 5.12 -2.417120331e-02 -2.417120331e-02 5.14 -2.131626327e-02 -2.131626327e-02 5.16 -1.874252518e-02 -1.874252518e-02 5.18 -1.643388258e-02 -1.643388258e-02 5.20 -1.437284512e-02 -1.437284512e-02 5.22 -1.254079258e-02 -1.254079258e-02 5.24 -1.091909464e-02 -1.091909464e-02 5.26 -9.489206343e-03 -9.489206343e-03 5.28 -8.232912062e-03 -8.232912062e-03 5.30 -7.132659109e-03 -7.132659109e-03 5.32 -6.171809332e-03 -6.171809332e-03 5.34 -5.334813476e-03 -5.334813476e-03 5.36 -4.607317065e-03 -4.607317065e-03 5.38 -3.976208693e-03 -3.976208693e-03 5.40 -3.429622245e-03 -3.429622245e-03 5.42 -2.956904102e-03 -2.956904102e-03 5.44 -2.548555245e-03 -2.548555245e-03 5.46 -2.196156719e-03 -2.196156719e-03 5.48 -1.892285358e-03 -1.892285358e-03 5.50 -1.630425143e-03 -1.630425143e-03 5.52 -1.404878251e-03 -1.404878251e-03 5.54 -1.210678669e-03 -1.210678669e-03 5.56 -1.043510341e-03 -1.043510341e-03 5.58 -8.996310333e-04 -8.996310333e-04 5.60 -7.758025844e-04 -7.758025844e-04 5.62 -6.692277404e-04 -6.692277404e-04 5.64 -5.774935225e-04 -5.774935225e-04 5.66 -4.985208484e-04 -4.985208484e-04 5.68 -4.305200149e-04 -4.305200149e-04 5.70 -3.719515765e-04 -3.719515765e-04 5.72 -3.214921242e-04 -3.214921242e-04 5.74 -2.780044661e-04 -2.780044661e-04 5.76 -2.405117275e-04 -2.405117275e-04 5.78 -2.081749163e-04 -2.081749163e-04 5.80 -1.802735342e-04 -1.802735342e-04 5.82 -1.561888507e-04 -1.561888507e-04 5.84 -1.353894981e-04 -1.353894981e-04 5.86 -1.174190797e-04 -1.174190797e-04 5.88 -1.018855217e-04 -1.018855217e-04 5.90 -8.845193102e-05 -8.845193102e-05 5.92 -7.682875031e-05 -7.682875031e-05 5.94 -6.676703072e-05 -6.676703072e-05 5.96 -5.805266385e-05 -5.805266385e-05 5.98 -5.050143834e-05 -5.050143834e-05 6.00 -4.395480320e-05 -4.395480320e-05