# 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 = CoMoNi2 # 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 1.488930865e+02 1.488930865e+02 1.30 1.365747737e+02 1.365747737e+02 1.32 1.252471077e+02 1.252471077e+02 1.34 1.148221130e+02 1.148221130e+02 1.36 1.052196449e+02 1.052196449e+02 1.38 9.636806485e+01 9.636806485e+01 1.40 8.820366695e+01 8.820366695e+01 1.42 8.066976338e+01 8.066976338e+01 1.44 7.371565369e+01 7.371565369e+01 1.46 6.729554956e+01 6.729554956e+01 1.48 6.136777226e+01 6.136777226e+01 1.50 5.589433696e+01 5.589433696e+01 1.52 5.084075819e+01 5.084075819e+01 1.54 4.617587281e+01 4.617587281e+01 1.56 4.187148059e+01 4.187148059e+01 1.58 3.790176298e+01 3.790176298e+01 1.60 3.424273938e+01 3.424273938e+01 1.62 3.087200543e+01 3.087200543e+01 1.64 2.776866258e+01 2.776866258e+01 1.66 2.491462206e+01 2.491462206e+01 1.68 2.229321819e+01 2.229321819e+01 1.70 1.988754039e+01 1.988754039e+01 1.72 1.768073509e+01 1.768073509e+01 1.74 1.565633312e+01 1.565633312e+01 1.76 1.379847175e+01 1.379847175e+01 1.78 1.209217878e+01 1.209217878e+01 1.80 1.052376425e+01 1.052376425e+01 1.82 9.081132030e+00 9.081132030e+00 1.84 7.753882770e+00 7.753882770e+00 1.86 6.533186157e+00 6.533186157e+00 1.88 5.411485391e+00 5.411485391e+00 1.90 4.382136333e+00 4.382136333e+00 1.92 3.439078411e+00 3.439078411e+00 1.94 2.576602807e+00 2.576602807e+00 1.96 1.789239513e+00 1.789239513e+00 1.98 1.071738974e+00 1.071738974e+00 2.00 4.190956428e-01 4.190956428e-01 2.02 -1.734364234e-01 -1.734364234e-01 2.04 -7.103591948e-01 -7.103591948e-01 2.06 -1.195969039e+00 -1.195969039e+00 2.08 -1.634390746e+00 -1.634390746e+00 2.10 -2.029583488e+00 -2.029583488e+00 2.12 -2.385312701e+00 -2.385312701e+00 2.14 -2.705099492e+00 -2.705099492e+00 2.16 -2.992168293e+00 -2.992168293e+00 2.18 -3.249413103e+00 -3.249413103e+00 2.20 -3.479394859e+00 -3.479394859e+00 2.22 -3.684370683e+00 -3.684370683e+00 2.24 -3.866345195e+00 -3.866345195e+00 2.26 -4.027130143e+00 -4.027130143e+00 2.28 -4.168401914e+00 -4.168401914e+00 2.30 -4.291750749e+00 -4.291750749e+00 2.32 -4.398570416e+00 -4.398570416e+00 2.34 -4.490401483e+00 -4.490401483e+00 2.36 -4.568902744e+00 -4.568902744e+00 2.38 -4.635562522e+00 -4.635562522e+00 2.40 -4.691661904e+00 -4.691661904e+00 2.42 -4.738257737e+00 -4.738257737e+00 2.44 -4.776197281e+00 -4.776197281e+00 2.46 -4.806049604e+00 -4.806049604e+00 2.48 -4.828099722e+00 -4.828099722e+00 2.50 -4.842662771e+00 -4.842662771e+00 2.52 -4.850001955e+00 -4.850001955e+00 2.54 -4.850398689e+00 -4.850398689e+00 2.56 -4.844171639e+00 -4.844171639e+00 2.58 -4.831668232e+00 -4.831668232e+00 2.60 -4.813254012e+00 -4.813254012e+00 2.62 -4.789301827e+00 -4.789301827e+00 2.64 -4.760175437e+00 -4.760175437e+00 2.66 -4.726168356e+00 -4.726168356e+00 2.68 -4.687413351e+00 -4.687413351e+00 2.70 -4.643891691e+00 -4.643891691e+00 2.72 -4.595655320e+00 -4.595655320e+00 2.74 -4.542836568e+00 -4.542836568e+00 2.76 -4.485632904e+00 -4.485632904e+00 2.78 -4.424286862e+00 -4.424286862e+00 2.80 -4.359064453e+00 -4.359064453e+00 2.82 -4.290236785e+00 -4.290236785e+00 2.84 -4.218068766e+00 -4.218068766e+00 2.86 -4.142816307e+00 -4.142816307e+00 2.88 -4.064730656e+00 -4.064730656e+00 2.90 -3.984066763e+00 -3.984066763e+00 2.92 -3.901092196e+00 -3.901092196e+00 2.94 -3.816093799e+00 -3.816093799e+00 2.96 -3.729380328e+00 -3.729380328e+00 2.98 -3.641280266e+00 -3.641280266e+00 3.00 -3.552134832e+00 -3.552134832e+00 3.02 -3.462286783e+00 -3.462286783e+00 3.04 -3.372066198e+00 -3.372066198e+00 3.06 -3.281775108e+00 -3.281775108e+00 3.08 -3.191673350e+00 -3.191673350e+00 3.10 -3.101968137e+00 -3.101968137e+00 3.12 -3.012809217e+00 -3.012809217e+00 3.14 -2.924290263e+00 -2.924290263e+00 3.16 -2.836455733e+00 -2.836455733e+00 3.18 -2.749311509e+00 -2.749311509e+00 3.20 -2.662837375e+00 -2.662837375e+00 3.22 -2.576999703e+00 -2.576999703e+00 3.24 -2.491763324e+00 -2.491763324e+00 3.26 -2.407102080e+00 -2.407102080e+00 3.28 -2.323007878e+00 -2.323007878e+00 3.30 -2.239498147e+00 -2.239498147e+00 3.32 -2.156621607e+00 -2.156621607e+00 3.34 -2.074462078e+00 -2.074462078e+00 3.36 -1.993140046e+00 -1.993140046e+00 3.38 -1.912811645e+00 -1.912811645e+00 3.40 -1.833664839e+00 -1.833664839e+00 3.42 -1.755912815e+00 -1.755912815e+00 3.44 -1.679784873e+00 -1.679784873e+00 3.46 -1.605515463e+00 -1.605515463e+00 3.48 -1.533332263e+00 -1.533332263e+00 3.50 -1.463444389e+00 -1.463444389e+00 3.52 -1.396031832e+00 -1.396031832e+00 3.54 -1.331237056e+00 -1.331237056e+00 3.56 -1.269159402e+00 -1.269159402e+00 3.58 -1.209852594e+00 -1.209852594e+00 3.60 -1.153325270e+00 -1.153325270e+00 3.62 -1.099544161e+00 -1.099544161e+00 3.64 -1.048439376e+00 -1.048439376e+00 3.66 -9.999111276e-01 -9.999111276e-01 3.68 -9.538372733e-01 -9.538372733e-01 3.70 -9.100810993e-01 -9.100810993e-01 3.72 -8.684988914e-01 -8.684988914e-01 3.74 -8.289469145e-01 -8.289469145e-01 3.76 -7.912875100e-01 -7.912875100e-01 3.78 -7.553940550e-01 -7.553940550e-01 3.80 -7.211545637e-01 -7.211545637e-01 3.82 -6.884737325e-01 -6.884737325e-01 3.84 -6.572733044e-01 -6.572733044e-01 3.86 -6.274907378e-01 -6.274907378e-01 3.88 -5.990763463e-01 -5.990763463e-01 3.90 -5.719892826e-01 -5.719892826e-01 3.92 -5.461929274e-01 -5.461929274e-01 3.94 -5.216503454e-01 -5.216503454e-01 3.96 -4.983204435e-01 -4.983204435e-01 3.98 -4.761553057e-01 -4.761553057e-01 4.00 -4.550989259e-01 -4.550989259e-01 4.02 -4.350872945e-01 -4.350872945e-01 4.04 -4.160495797e-01 -4.160495797e-01 4.06 -3.979100321e-01 -3.979100321e-01 4.08 -3.805902296e-01 -3.805902296e-01 4.10 -3.640113435e-01 -3.640113435e-01 4.12 -3.480962147e-01 -3.480962147e-01 4.14 -3.327711240e-01 -3.327711240e-01 4.16 -3.179672336e-01 -3.179672336e-01 4.18 -3.036217151e-01 -3.036217151e-01 4.20 -2.896786056e-01 -2.896786056e-01 4.22 -2.760894279e-01 -2.760894279e-01 4.24 -2.628136047e-01 -2.628136047e-01 4.26 -2.498186845e-01 -2.498186845e-01 4.28 -2.370803998e-01 -2.370803998e-01 4.30 -2.245825906e-01 -2.245825906e-01 4.32 -2.123170326e-01 -2.123170326e-01 4.34 -2.002832169e-01 -2.002832169e-01 4.36 -1.884881048e-01 -1.884881048e-01 4.38 -1.769458428e-01 -1.769458428e-01 4.40 -1.656773650e-01 -1.656773650e-01 4.42 -1.547097662e-01 -1.547097662e-01 4.44 -1.440753112e-01 -1.440753112e-01 4.46 -1.338099765e-01 -1.338099765e-01 4.48 -1.239515051e-01 -1.239515051e-01 4.50 -1.145370589e-01 -1.145370589e-01 4.52 -1.056006665e-01 -1.056006665e-01 4.54 -9.717074048e-02 -9.717074048e-02 4.56 -8.926795649e-02 -8.926795649e-02 4.58 -8.190374347e-02 -8.190374347e-02 4.60 -7.507954307e-02 -7.507954307e-02 4.62 -6.878688060e-02 -6.878688060e-02 4.64 -6.300815224e-02 -6.300815224e-02 4.66 -5.771798176e-02 -5.771798176e-02 4.68 -5.288494032e-02 -5.288494032e-02 4.70 -4.847343957e-02 -4.847343957e-02 4.72 -4.444557996e-02 -4.444557996e-02 4.74 -4.076247244e-02 -4.076247244e-02 4.76 -3.738652425e-02 -3.738652425e-02 4.78 -3.428248827e-02 -3.428248827e-02 4.80 -3.141786841e-02 -3.141786841e-02 4.82 -2.876365438e-02 -2.876365438e-02 4.84 -2.629477740e-02 -2.629477740e-02 4.86 -2.399032156e-02 -2.399032156e-02 4.88 -2.183351758e-02 -2.183351758e-02 4.90 -1.981154166e-02 -1.981154166e-02 4.92 -1.791514056e-02 -1.791514056e-02 4.94 -1.613810838e-02 -1.613810838e-02 4.96 -1.447649291e-02 -1.447649291e-02 4.98 -1.292810562e-02 -1.292810562e-02 5.00 -1.149196453e-02 -1.149196453e-02 5.02 -1.016737114e-02 -1.016737114e-02 5.04 -8.953331441e-03 -8.953331441e-03 5.06 -7.848119778e-03 -7.848119778e-03 5.08 -6.849006602e-03 -6.849006602e-03 5.10 -5.952150112e-03 -5.952150112e-03 5.12 -5.152632171e-03 -5.152632171e-03 5.14 -4.444605308e-03 -4.444605308e-03 5.16 -3.821511419e-03 -3.821511419e-03 5.18 -3.276333540e-03 -3.276333540e-03 5.20 -2.801848013e-03 -2.801848013e-03 5.22 -2.390853122e-03 -2.390853122e-03 5.24 -2.036359546e-03 -2.036359546e-03 5.26 -1.731736287e-03 -1.731736287e-03 5.28 -1.470812039e-03 -1.470812039e-03 5.30 -1.247936242e-03 -1.247936242e-03 5.32 -1.058006309e-03 -1.058006309e-03 5.34 -8.964683724e-04 -8.964683724e-04 5.36 -7.592986251e-04 -7.592986251e-04 5.38 -6.429715445e-04 -6.429715445e-04 5.40 -5.444201622e-04 -5.444201622e-04 5.42 -4.609924217e-04 -4.609924217e-04 5.44 -3.904065961e-04 -3.904065961e-04 5.46 -3.307078399e-04 -3.307078399e-04 5.48 -2.802272208e-04 -2.802272208e-04 5.50 -2.375440191e-04 -2.375440191e-04 5.52 -2.014516724e-04 -2.014516724e-04 5.54 -1.709274559e-04 -1.709274559e-04 5.56 -1.451057970e-04 -1.451057970e-04 5.58 -1.232550042e-04 -1.232550042e-04 5.60 -1.047571236e-04 -1.047571236e-04 5.62 -8.909060801e-05 -8.909060801e-05 5.64 -7.581547973e-05 -7.581547973e-05 5.66 -6.456067748e-05 -6.456067748e-05 5.68 -5.501330213e-05 -5.501330213e-05 5.70 -4.690949970e-05 -4.690949970e-05 5.72 -4.002674875e-05 -4.002674875e-05 5.74 -3.417734670e-05 -3.417734670e-05 5.76 -2.920291589e-05 -2.920291589e-05 5.78 -2.496977438e-05 -2.496977438e-05 5.80 -2.136503832e-05 -2.136503832e-05 5.82 -1.829334193e-05 -1.829334193e-05 5.84 -1.567407816e-05 -1.567407816e-05 5.86 -1.343907782e-05 -1.343907782e-05 5.88 -1.153065754e-05 -1.153065754e-05 5.90 -9.899977878e-06 -9.899977878e-06 5.92 -8.505661989e-06 -8.505661989e-06 5.94 -7.312633293e-06 -7.312633293e-06 5.96 -6.291137047e-06 -6.291137047e-06 5.98 -5.415916433e-06 -5.415916433e-06 6.00 -4.665518461e-06 -4.665518461e-06