# 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 = AuCoZr2 # 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 3.361571190e+02 3.361571190e+02 1.30 3.123985916e+02 3.123985916e+02 1.32 2.903688875e+02 2.903688875e+02 1.34 2.699289315e+02 2.699289315e+02 1.36 2.509519888e+02 2.509519888e+02 1.38 2.333236580e+02 2.333236580e+02 1.40 2.169408063e+02 2.169408063e+02 1.42 2.017098667e+02 2.017098667e+02 1.44 1.875451607e+02 1.875451607e+02 1.46 1.743673093e+02 1.743673093e+02 1.48 1.621022166e+02 1.621022166e+02 1.50 1.506811543e+02 1.506811543e+02 1.52 1.400413560e+02 1.400413560e+02 1.54 1.301259279e+02 1.301259279e+02 1.56 1.208831183e+02 1.208831183e+02 1.58 1.122652929e+02 1.122652929e+02 1.60 1.042281781e+02 1.042281781e+02 1.62 9.673040200e+01 9.673040200e+01 1.64 8.973337587e+01 8.973337587e+01 1.66 8.320121630e+01 8.320121630e+01 1.68 7.710073130e+01 7.710073130e+01 1.70 7.140140559e+01 7.140140559e+01 1.72 6.607523155e+01 6.607523155e+01 1.74 6.109643957e+01 6.109643957e+01 1.76 5.644124528e+01 5.644124528e+01 1.78 5.208769189e+01 5.208769189e+01 1.80 4.801552926e+01 4.801552926e+01 1.82 4.420603278e+01 4.420603278e+01 1.84 4.064185315e+01 4.064185315e+01 1.86 3.730695365e+01 3.730695365e+01 1.88 3.418652354e+01 3.418652354e+01 1.90 3.126684439e+01 3.126684439e+01 1.92 2.853534140e+01 2.853534140e+01 1.94 2.598087641e+01 2.598087641e+01 1.96 2.359317329e+01 2.359317329e+01 1.98 2.136905495e+01 2.136905495e+01 2.00 1.929942550e+01 1.929942550e+01 2.02 1.737380977e+01 1.737380977e+01 2.04 1.558246950e+01 1.558246950e+01 2.06 1.391643268e+01 1.391643268e+01 2.08 1.236741194e+01 1.236741194e+01 2.10 1.092773172e+01 1.092773172e+01 2.12 9.590231332e+00 9.590231332e+00 2.14 8.348200163e+00 8.348200163e+00 2.16 7.195325608e+00 7.195325608e+00 2.18 6.125652462e+00 6.125652462e+00 2.20 5.133575977e+00 5.133575977e+00 2.22 4.213821835e+00 4.213821835e+00 2.24 3.361445279e+00 3.361445279e+00 2.26 2.571841463e+00 2.571841463e+00 2.28 1.840746448e+00 1.840746448e+00 2.30 1.164266513e+00 1.164266513e+00 2.32 5.388488481e-01 5.388488481e-01 2.34 -3.875079737e-02 -3.875079737e-02 2.36 -5.715192489e-01 -5.715192489e-01 2.38 -1.062239530e+00 -1.062239530e+00 2.40 -1.513536553e+00 -1.513536553e+00 2.42 -1.927918303e+00 -1.927918303e+00 2.44 -2.307789347e+00 -2.307789347e+00 2.46 -2.655464283e+00 -2.655464283e+00 2.48 -2.973159873e+00 -2.973159873e+00 2.50 -3.262982339e+00 -3.262982339e+00 2.52 -3.526916787e+00 -3.526916787e+00 2.54 -3.766824334e+00 -3.766824334e+00 2.56 -3.984446306e+00 -3.984446306e+00 2.58 -4.181410654e+00 -4.181410654e+00 2.60 -4.359235830e+00 -4.359235830e+00 2.62 -4.519329229e+00 -4.519329229e+00 2.64 -4.662990415e+00 -4.662990415e+00 2.66 -4.791401582e+00 -4.791401582e+00 2.68 -4.905638760e+00 -4.905638760e+00 2.70 -5.006706498e+00 -5.006706498e+00 2.72 -5.095610760e+00 -5.095610760e+00 2.74 -5.173068601e+00 -5.173068601e+00 2.76 -5.239738063e+00 -5.239738063e+00 2.78 -5.296253961e+00 -5.296253961e+00 2.80 -5.343235626e+00 -5.343235626e+00 2.82 -5.381264728e+00 -5.381264728e+00 2.84 -5.410896580e+00 -5.410896580e+00 2.86 -5.432653224e+00 -5.432653224e+00 2.88 -5.446883909e+00 -5.446883909e+00 2.90 -5.453763594e+00 -5.453763594e+00 2.92 -5.453502498e+00 -5.453502498e+00 2.94 -5.446352795e+00 -5.446352795e+00 2.96 -5.432616357e+00 -5.432616357e+00 2.98 -5.412629594e+00 -5.412629594e+00 3.00 -5.386702092e+00 -5.386702092e+00 3.02 -5.355164357e+00 -5.355164357e+00 3.04 -5.318359402e+00 -5.318359402e+00 3.06 -5.276653504e+00 -5.276653504e+00 3.08 -5.230401881e+00 -5.230401881e+00 3.10 -5.179963576e+00 -5.179963576e+00 3.12 -5.125698425e+00 -5.125698425e+00 3.14 -5.068014907e+00 -5.068014907e+00 3.16 -5.007194147e+00 -5.007194147e+00 3.18 -4.943475026e+00 -4.943475026e+00 3.20 -4.877103526e+00 -4.877103526e+00 3.22 -4.808332441e+00 -4.808332441e+00 3.24 -4.737419287e+00 -4.737419287e+00 3.26 -4.664625606e+00 -4.664625606e+00 3.28 -4.590216962e+00 -4.590216962e+00 3.30 -4.514462134e+00 -4.514462134e+00 3.32 -4.437628497e+00 -4.437628497e+00 3.34 -4.359973619e+00 -4.359973619e+00 3.36 -4.281741346e+00 -4.281741346e+00 3.38 -4.203154487e+00 -4.203154487e+00 3.40 -4.124406768e+00 -4.124406768e+00 3.42 -4.045667133e+00 -4.045667133e+00 3.44 -3.967068862e+00 -3.967068862e+00 3.46 -3.888721061e+00 -3.888721061e+00 3.48 -3.810711163e+00 -3.810711163e+00 3.50 -3.733109722e+00 -3.733109722e+00 3.52 -3.655974486e+00 -3.655974486e+00 3.54 -3.579353378e+00 -3.579353378e+00 3.56 -3.503286403e+00 -3.503286403e+00 3.58 -3.427806724e+00 -3.427806724e+00 3.60 -3.352941228e+00 -3.352941228e+00 3.62 -3.278710906e+00 -3.278710906e+00 3.64 -3.205131333e+00 -3.205131333e+00 3.66 -3.132213450e+00 -3.132213450e+00 3.68 -3.059964819e+00 -3.059964819e+00 3.70 -2.988391423e+00 -2.988391423e+00 3.72 -2.917500008e+00 -2.917500008e+00 3.74 -2.847300885e+00 -2.847300885e+00 3.76 -2.777811000e+00 -2.777811000e+00 3.78 -2.709056925e+00 -2.709056925e+00 3.80 -2.641077357e+00 -2.641077357e+00 3.82 -2.573924558e+00 -2.573924558e+00 3.84 -2.507664232e+00 -2.507664232e+00 3.86 -2.442373437e+00 -2.442373437e+00 3.88 -2.378136489e+00 -2.378136489e+00 3.90 -2.315039202e+00 -2.315039202e+00 3.92 -2.253158840e+00 -2.253158840e+00 3.94 -2.192572225e+00 -2.192572225e+00 3.96 -2.133327820e+00 -2.133327820e+00 3.98 -2.075458911e+00 -2.075458911e+00 4.00 -2.018978714e+00 -2.018978714e+00 4.02 -1.963881918e+00 -1.963881918e+00 4.04 -1.910147785e+00 -1.910147785e+00 4.06 -1.857744058e+00 -1.857744058e+00 4.08 -1.806631038e+00 -1.806631038e+00 4.10 -1.756758430e+00 -1.756758430e+00 4.12 -1.708097350e+00 -1.708097350e+00 4.14 -1.660597276e+00 -1.660597276e+00 4.16 -1.614219847e+00 -1.614219847e+00 4.18 -1.568931541e+00 -1.568931541e+00 4.20 -1.524704358e+00 -1.524704358e+00 4.22 -1.481516049e+00 -1.481516049e+00 4.24 -1.439349952e+00 -1.439349952e+00 4.26 -1.398194447e+00 -1.398194447e+00 4.28 -1.358042071e+00 -1.358042071e+00 4.30 -1.318888336e+00 -1.318888336e+00 4.32 -1.280730348e+00 -1.280730348e+00 4.34 -1.243565325e+00 -1.243565325e+00 4.36 -1.207389200e+00 -1.207389200e+00 4.38 -1.172195407e+00 -1.172195407e+00 4.40 -1.137973994e+00 -1.137973994e+00 4.42 -1.104711116e+00 -1.104711116e+00 4.44 -1.072388901e+00 -1.072388901e+00 4.46 -1.040985660e+00 -1.040985660e+00 4.48 -1.010476334e+00 -1.010476334e+00 4.50 -9.808331089e-01 -9.808331089e-01 4.52 -9.520260798e-01 -9.520260798e-01 4.54 -9.240239173e-01 -9.240239173e-01 4.56 -8.967944682e-01 -8.967944682e-01 4.58 -8.703052763e-01 -8.703052763e-01 4.60 -8.445240140e-01 -8.445240140e-01 4.62 -8.194188356e-01 -8.194188356e-01 4.64 -7.949586697e-01 -7.949586697e-01 4.66 -7.711134731e-01 -7.711134731e-01 4.68 -7.478544693e-01 -7.478544693e-01 4.70 -7.251543905e-01 -7.251543905e-01 4.72 -7.029877411e-01 -7.029877411e-01 4.74 -6.813310891e-01 -6.813310891e-01 4.76 -6.601633899e-01 -6.601633899e-01 4.78 -6.394663324e-01 -6.394663324e-01 4.80 -6.192185718e-01 -6.192185718e-01 4.82 -5.994215717e-01 -5.994215717e-01 4.84 -5.800598700e-01 -5.800598700e-01 4.86 -5.611292076e-01 -5.611292076e-01 4.88 -5.426291566e-01 -5.426291566e-01 4.90 -5.245629144e-01 -5.245629144e-01 4.92 -5.069368619e-01 -5.069368619e-01 4.94 -4.897598752e-01 -4.897598752e-01 4.96 -4.730424123e-01 -4.730424123e-01 4.98 -4.567954294e-01 -4.567954294e-01 5.00 -4.410292110e-01 -4.410292110e-01 5.02 -4.257522160e-01 -4.257522160e-01 5.04 -4.109700482e-01 -4.109700482e-01 5.06 -3.966846457e-01 -3.966846457e-01 5.08 -3.828937546e-01 -3.828937546e-01 5.10 -3.695907199e-01 -3.695907199e-01 5.12 -3.567645865e-01 -3.567645865e-01 5.14 -3.444004725e-01 -3.444004725e-01 5.16 -3.324801583e-01 -3.324801583e-01 5.18 -3.209828212e-01 -3.209828212e-01 5.20 -3.098858526e-01 -3.098858526e-01 5.22 -2.991656970e-01 -2.991656970e-01 5.24 -2.887986703e-01 -2.887986703e-01 5.26 -2.787617238e-01 -2.787617238e-01 5.28 -2.690331329e-01 -2.690331329e-01 5.30 -2.595930966e-01 -2.595930966e-01 5.32 -2.504242376e-01 -2.504242376e-01 5.34 -2.415119916e-01 -2.415119916e-01 5.36 -2.328448754e-01 -2.328448754e-01 5.38 -2.244146194e-01 -2.244146194e-01 5.40 -2.162161506e-01 -2.162161506e-01 5.42 -2.082474160e-01 -2.082474160e-01 5.44 -2.005090421e-01 -2.005090421e-01 5.46 -1.930038403e-01 -1.930038403e-01 5.48 -1.857361802e-01 -1.857361802e-01 5.50 -1.787112694e-01 -1.787112694e-01 5.52 -1.719343952e-01 -1.719343952e-01 5.54 -1.654101855e-01 -1.654101855e-01 5.56 -1.591419497e-01 -1.591419497e-01 5.58 -1.531311514e-01 -1.531311514e-01 5.60 -1.473769375e-01 -1.473769375e-01 5.62 -1.418758927e-01 -1.418758927e-01 5.64 -1.366227230e-01 -1.366227230e-01 5.66 -1.316098647e-01 -1.316098647e-01 5.68 -1.268277255e-01 -1.268277255e-01 5.70 -1.222650544e-01 -1.222650544e-01 5.72 -1.179093451e-01 -1.179093451e-01 5.74 -1.137472378e-01 -1.137472378e-01 5.76 -1.097648910e-01 -1.097648910e-01 5.78 -1.059483052e-01 -1.059483052e-01 5.80 -1.022835894e-01 -1.022835894e-01 5.82 -9.875716924e-02 -9.875716924e-02 5.84 -9.535593993e-02 -9.535593993e-02 5.86 -9.206737101e-02 -9.206737101e-02 5.88 -8.887957278e-02 -8.887957278e-02 5.90 -8.578133365e-02 -8.578133365e-02 5.92 -8.276213815e-02 -8.276213815e-02 5.94 -7.981217424e-02 -7.981217424e-02 5.96 -7.692233752e-02 -7.692233752e-02 5.98 -7.408423861e-02 -7.408423861e-02 6.00 -7.129021875e-02 -7.129021875e-02