# 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 = Mo2PdTa # 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 3.619791864e+02 3.619791864e+02 1.30 3.358521343e+02 3.358521343e+02 1.32 3.116311807e+02 3.116311807e+02 1.34 2.891565698e+02 2.891565698e+02 1.36 2.682860574e+02 2.682860574e+02 1.38 2.488923304e+02 2.488923304e+02 1.40 2.308609530e+02 2.308609530e+02 1.42 2.140888021e+02 2.140888021e+02 1.44 1.984828750e+02 1.984828750e+02 1.46 1.839591360e+02 1.839591360e+02 1.48 1.704410641e+02 1.704410641e+02 1.50 1.578580335e+02 1.578580335e+02 1.52 1.461440511e+02 1.461440511e+02 1.54 1.352372272e+02 1.352372272e+02 1.56 1.250798252e+02 1.250798252e+02 1.58 1.156183892e+02 1.156183892e+02 1.60 1.068035785e+02 1.068035785e+02 1.62 9.858970275e+01 9.858970275e+01 1.64 9.093418399e+01 9.093418399e+01 1.66 8.379715251e+01 8.379715251e+01 1.68 7.714126584e+01 7.714126584e+01 1.70 7.093172440e+01 7.093172440e+01 1.72 6.513639292e+01 6.513639292e+01 1.74 5.972593409e+01 5.972593409e+01 1.76 5.467387971e+01 5.467387971e+01 1.78 4.995656481e+01 4.995656481e+01 1.80 4.555286789e+01 4.555286789e+01 1.82 4.144377188e+01 4.144377188e+01 1.84 3.761448351e+01 3.761448351e+01 1.86 3.405188311e+01 3.405188311e+01 1.88 3.074848194e+01 3.074848194e+01 1.90 2.770164243e+01 2.770164243e+01 1.92 2.489362004e+01 2.489362004e+01 1.94 2.230680454e+01 2.230680454e+01 1.96 1.992439254e+01 1.992439254e+01 1.98 1.773040974e+01 1.773040974e+01 2.00 1.570974851e+01 1.570974851e+01 2.02 1.384822277e+01 1.384822277e+01 2.04 1.213262307e+01 1.213262307e+01 2.06 1.055074790e+01 1.055074790e+01 2.08 9.091399266e+00 9.091399266e+00 2.10 7.744351093e+00 7.744351093e+00 2.12 6.500310844e+00 6.500310844e+00 2.14 5.350889350e+00 5.350889350e+00 2.16 4.288576891e+00 4.288576891e+00 2.18 3.306710159e+00 3.306710159e+00 2.20 2.399413784e+00 2.399413784e+00 2.22 1.561510170e+00 1.561510170e+00 2.24 7.884040978e-01 7.884040978e-01 2.26 7.595673366e-02 7.595673366e-02 2.28 -5.796346138e-01 -5.796346138e-01 2.30 -1.181937651e+00 -1.181937651e+00 2.32 -1.734358747e+00 -1.734358747e+00 2.34 -2.240185684e+00 -2.240185684e+00 2.36 -2.702600966e+00 -2.702600966e+00 2.38 -3.124671508e+00 -3.124671508e+00 2.40 -3.509324075e+00 -3.509324075e+00 2.42 -3.859317225e+00 -3.859317225e+00 2.44 -4.177218921e+00 -4.177218921e+00 2.46 -4.465394511e+00 -4.465394511e+00 2.48 -4.726004367e+00 -4.726004367e+00 2.50 -4.961006958e+00 -4.961006958e+00 2.52 -5.172163382e+00 -5.172163382e+00 2.54 -5.360968793e+00 -5.360968793e+00 2.56 -5.528810020e+00 -5.528810020e+00 2.58 -5.676999390e+00 -5.676999390e+00 2.60 -5.806683316e+00 -5.806683316e+00 2.62 -5.918876316e+00 -5.918876316e+00 2.64 -6.014495133e+00 -6.014495133e+00 2.66 -6.094369225e+00 -6.094369225e+00 2.68 -6.159068436e+00 -6.159068436e+00 2.70 -6.209490980e+00 -6.209490980e+00 2.72 -6.246497171e+00 -6.246497171e+00 2.74 -6.270863903e+00 -6.270863903e+00 2.76 -6.283375477e+00 -6.283375477e+00 2.78 -6.284821213e+00 -6.284821213e+00 2.80 -6.275991676e+00 -6.275991676e+00 2.82 -6.257672805e+00 -6.257672805e+00 2.84 -6.230412645e+00 -6.230412645e+00 2.86 -6.194401502e+00 -6.194401502e+00 2.88 -6.149866735e+00 -6.149866735e+00 2.90 -6.097110289e+00 -6.097110289e+00 2.92 -6.036539831e+00 -6.036539831e+00 2.94 -5.968918929e+00 -5.968918929e+00 2.96 -5.894663170e+00 -5.894663170e+00 2.98 -5.814128290e+00 -5.814128290e+00 3.00 -5.727710471e+00 -5.727710471e+00 3.02 -5.635819531e+00 -5.635819531e+00 3.04 -5.538852246e+00 -5.538852246e+00 3.06 -5.437168574e+00 -5.437168574e+00 3.08 -5.331085324e+00 -5.331085324e+00 3.10 -5.220914030e+00 -5.220914030e+00 3.12 -5.106911579e+00 -5.106911579e+00 3.14 -4.989264299e+00 -4.989264299e+00 3.16 -4.868101067e+00 -4.868101067e+00 3.18 -4.743511162e+00 -4.743511162e+00 3.20 -4.615565349e+00 -4.615565349e+00 3.22 -4.484338583e+00 -4.484338583e+00 3.24 -4.349932781e+00 -4.349932781e+00 3.26 -4.212498184e+00 -4.212498184e+00 3.28 -4.072251897e+00 -4.072251897e+00 3.30 -3.929492247e+00 -3.929492247e+00 3.32 -3.784607757e+00 -3.784607757e+00 3.34 -3.638079779e+00 -3.638079779e+00 3.36 -3.490478190e+00 -3.490478190e+00 3.38 -3.342450014e+00 -3.342450014e+00 3.40 -3.194701374e+00 -3.194701374e+00 3.42 -3.047973743e+00 -3.047973743e+00 3.44 -2.903016040e+00 -2.903016040e+00 3.46 -2.760554610e+00 -2.760554610e+00 3.48 -2.621263511e+00 -2.621263511e+00 3.50 -2.485737667e+00 -2.485737667e+00 3.52 -2.354471243e+00 -2.354471243e+00 3.54 -2.227843124e+00 -2.227843124e+00 3.56 -2.106110583e+00 -2.106110583e+00 3.58 -1.989411331e+00 -1.989411331e+00 3.60 -1.877773212e+00 -1.877773212e+00 3.62 -1.771130109e+00 -1.771130109e+00 3.64 -1.669342135e+00 -1.669342135e+00 3.66 -1.572218002e+00 -1.572218002e+00 3.68 -1.479537537e+00 -1.479537537e+00 3.70 -1.391072533e+00 -1.391072533e+00 3.72 -1.306604552e+00 -1.306604552e+00 3.74 -1.225938639e+00 -1.225938639e+00 3.76 -1.148912407e+00 -1.148912407e+00 3.78 -1.075400311e+00 -1.075400311e+00 3.80 -1.005313370e+00 -1.005313370e+00 3.82 -9.385949222e-01 -9.385949222e-01 3.84 -8.752133154e-01 -8.752133154e-01 3.86 -8.151526318e-01 -8.151526318e-01 3.88 -7.584026538e-01 -7.584026538e-01 3.90 -7.049492373e-01 -7.049492373e-01 3.92 -6.547660920e-01 -6.547660920e-01 3.94 -6.078086956e-01 -6.078086956e-01 3.96 -5.640107155e-01 -5.640107155e-01 3.98 -5.232830044e-01 -5.232830044e-01 4.00 -4.855148847e-01 -4.855148847e-01 4.02 -4.505772178e-01 -4.505772178e-01 4.04 -4.183266218e-01 -4.183266218e-01 4.06 -3.886102114e-01 -3.886102114e-01 4.08 -3.612701702e-01 -3.612701702e-01 4.10 -3.361479754e-01 -3.361479754e-01 4.12 -3.130876973e-01 -3.130876973e-01 4.14 -2.919380774e-01 -2.919380774e-01 4.16 -2.725538663e-01 -2.725538663e-01 4.18 -2.547963821e-01 -2.547963821e-01 4.20 -2.385335372e-01 -2.385335372e-01 4.22 -2.236395792e-01 -2.236395792e-01 4.24 -2.099947839e-01 -2.099947839e-01 4.26 -1.974852308e-01 -1.974852308e-01 4.28 -1.860027356e-01 -1.860027356e-01 4.30 -1.754449121e-01 -1.754449121e-01 4.32 -1.657153436e-01 -1.657153436e-01 4.34 -1.567237228e-01 -1.567237228e-01 4.36 -1.483859389e-01 -1.483859389e-01 4.38 -1.406247590e-01 -1.406247590e-01 4.40 -1.333693301e-01 -1.333693301e-01 4.42 -1.265550679e-01 -1.265550679e-01 4.44 -1.201235192e-01 -1.201235192e-01 4.46 -1.140221570e-01 -1.140221570e-01 4.48 -1.082041425e-01 -1.082041425e-01 4.50 -1.026280906e-01 -1.026280906e-01 4.52 -9.725786214e-02 -9.725786214e-02 4.54 -9.206240369e-02 -9.206240369e-02 4.56 -8.701564098e-02 -8.701564098e-02 4.58 -8.209642347e-02 -8.209642347e-02 4.60 -7.728850489e-02 -7.728850489e-02 4.62 -7.258053411e-02 -7.258053411e-02 4.64 -6.796602105e-02 -6.796602105e-02 4.66 -6.344323566e-02 -6.344323566e-02 4.68 -5.901499616e-02 -5.901499616e-02 4.70 -5.468830664e-02 -5.468830664e-02 4.72 -5.047381565e-02 -5.047381565e-02 4.74 -4.638508663e-02 -4.638508663e-02 4.76 -4.243770251e-02 -4.243770251e-02 4.78 -3.864823016e-02 -3.864823016e-02 4.80 -3.503312408e-02 -3.503312408e-02 4.82 -3.160765253e-02 -3.160765253e-02 4.84 -2.838491638e-02 -2.838491638e-02 4.86 -2.537506870e-02 -2.537506870e-02 4.88 -2.258477770e-02 -2.258477770e-02 4.90 -2.001695400e-02 -2.001695400e-02 4.92 -1.767074641e-02 -1.767074641e-02 4.94 -1.554149832e-02 -1.554149832e-02 4.96 -1.362160514e-02 -1.362160514e-02 4.98 -1.190130970e-02 -1.190130970e-02 5.00 -1.036877478e-02 -1.036877478e-02 5.02 -9.010731418e-03 -9.010731418e-03 5.04 -7.813083643e-03 -7.813083643e-03 5.06 -6.761436873e-03 -6.761436873e-03 5.08 -5.841534067e-03 -5.841534067e-03 5.10 -5.039595228e-03 -5.039595228e-03 5.12 -4.342564654e-03 -4.342564654e-03 5.14 -3.738275834e-03 -3.738275834e-03 5.16 -3.215546849e-03 -3.215546849e-03 5.18 -2.764219939e-03 -2.764219939e-03 5.20 -2.375158394e-03 -2.375158394e-03 5.22 -2.040212502e-03 -2.040212502e-03 5.24 -1.752164492e-03 -1.752164492e-03 5.26 -1.504660513e-03 -1.504660513e-03 5.28 -1.292135872e-03 -1.292135872e-03 5.30 -1.109738183e-03 -1.109738183e-03 5.32 -9.532517290e-04 -9.532517290e-04 5.34 -8.190252555e-04 -8.190252555e-04 5.36 -7.039046046e-04 -7.039046046e-04 5.38 -6.051709338e-04 -6.051709338e-04 5.40 -5.204848351e-04 -5.204848351e-04 5.42 -4.478363359e-04 -4.478363359e-04 5.44 -3.855005598e-04 -3.855005598e-04 5.46 -3.319986870e-04 -3.319986870e-04 5.48 -2.860637846e-04 -2.860637846e-04 5.50 -2.466110467e-04 -2.466110467e-04 5.52 -2.127119781e-04 -2.127119781e-04 5.54 -1.835720754e-04 -1.835720754e-04 5.56 -1.585115837e-04 -1.585115837e-04 5.58 -1.369489437e-04 -1.369489437e-04 5.60 -1.183865790e-04 -1.183865790e-04 5.62 -1.023987124e-04 -1.023987124e-04 5.64 -8.862093256e-05 -8.862093256e-05 5.66 -7.674126954e-05 -7.674126954e-05 5.68 -6.649256650e-05 -6.649256650e-05 5.70 -5.764596256e-05 -5.764596256e-05 5.72 -5.000532757e-05 -5.000532757e-05 5.74 -4.340251103e-05 -4.340251103e-05 5.76 -3.769328644e-05 -3.769328644e-05 5.78 -3.275388973e-05 -3.275388973e-05 5.80 -2.847806446e-05 -2.847806446e-05 5.82 -2.477453929e-05 -2.477453929e-05 5.84 -2.156487421e-05 -2.156487421e-05 5.86 -1.878162111e-05 -1.878162111e-05 5.88 -1.636675228e-05 -1.636675228e-05 5.90 -1.427031751e-05 -1.427031751e-05 5.92 -1.244929604e-05 -1.244929604e-05 5.94 -1.086661467e-05 -1.086661467e-05 5.96 -9.490307685e-06 -9.490307685e-06 5.98 -8.292797748e-06 -8.292797748e-06 6.00 -7.250280057e-06 -7.250280057e-06