# 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 = MoTa2Zr # 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 3.881495178e+02 3.881495178e+02 1.30 3.605001177e+02 3.605001177e+02 1.32 3.348776318e+02 3.348776318e+02 1.34 3.111180160e+02 3.111180160e+02 1.36 2.890709713e+02 2.890709713e+02 1.38 2.685987637e+02 2.685987637e+02 1.40 2.495757941e+02 2.495757941e+02 1.42 2.318881594e+02 2.318881594e+02 1.44 2.154326335e+02 2.154326335e+02 1.46 2.001151274e+02 2.001151274e+02 1.48 1.858491803e+02 1.858491803e+02 1.50 1.725549763e+02 1.725549763e+02 1.52 1.601590513e+02 1.601590513e+02 1.54 1.485944141e+02 1.485944141e+02 1.56 1.378007611e+02 1.378007611e+02 1.58 1.277243526e+02 1.277243526e+02 1.60 1.183173324e+02 1.183173324e+02 1.62 1.095365773e+02 1.095365773e+02 1.64 1.013425069e+02 1.013425069e+02 1.66 9.369816032e+01 9.369816032e+01 1.68 8.656867744e+01 8.656867744e+01 1.70 7.992110086e+01 7.992110086e+01 1.72 7.372424755e+01 7.372424755e+01 1.74 6.794856348e+01 6.794856348e+01 1.76 6.256595692e+01 6.256595692e+01 1.78 5.754969620e+01 5.754969620e+01 1.80 5.287439824e+01 5.287439824e+01 1.82 4.851610678e+01 4.851610678e+01 1.84 4.445239980e+01 4.445239980e+01 1.86 4.066251821e+01 4.066251821e+01 1.88 3.712739187e+01 3.712739187e+01 1.90 3.382953640e+01 3.382953640e+01 1.92 3.075283193e+01 3.075283193e+01 1.94 2.788224492e+01 2.788224492e+01 1.96 2.520359591e+01 2.520359591e+01 1.98 2.270342850e+01 2.270342850e+01 2.00 2.037131836e+01 2.037131836e+01 2.02 1.820159239e+01 1.820159239e+01 2.04 1.618490070e+01 1.618490070e+01 2.06 1.431051902e+01 1.431051902e+01 2.08 1.256813864e+01 1.256813864e+01 2.10 1.094834761e+01 1.094834761e+01 2.12 9.442562792e+00 9.442562792e+00 2.14 8.042959319e+00 8.042959319e+00 2.16 6.742408768e+00 6.742408768e+00 2.18 5.534414157e+00 5.534414157e+00 2.20 4.413045491e+00 4.413045491e+00 2.22 3.372853247e+00 3.372853247e+00 2.24 2.408783616e+00 2.408783616e+00 2.26 1.516101975e+00 1.516101975e+00 2.28 6.903210895e-01 6.903210895e-01 2.30 -7.283347212e-02 -7.283347212e-02 2.32 -7.774741977e-01 -7.774741977e-01 2.34 -1.427558890e+00 -1.427558890e+00 2.36 -2.026898927e+00 -2.026898927e+00 2.38 -2.579140282e+00 -2.579140282e+00 2.40 -3.087734824e+00 -3.087734824e+00 2.42 -3.555913986e+00 -3.555913986e+00 2.44 -3.986663404e+00 -3.986663404e+00 2.46 -4.382715722e+00 -4.382715722e+00 2.48 -4.746549534e+00 -4.746549534e+00 2.50 -5.080396984e+00 -5.080396984e+00 2.52 -5.386257600e+00 -5.386257600e+00 2.54 -5.665917116e+00 -5.665917116e+00 2.56 -5.920969931e+00 -5.920969931e+00 2.58 -6.152844053e+00 -6.152844053e+00 2.60 -6.362827824e+00 -6.362827824e+00 2.62 -6.552095837e+00 -6.552095837e+00 2.64 -6.721742158e+00 -6.721742158e+00 2.66 -6.872792330e+00 -6.872792330e+00 2.68 -7.006228976e+00 -7.006228976e+00 2.70 -7.123001052e+00 -7.123001052e+00 2.72 -7.224029116e+00 -7.224029116e+00 2.74 -7.310205171e+00 -7.310205171e+00 2.76 -7.382388439e+00 -7.382388439e+00 2.78 -7.441358680e+00 -7.441358680e+00 2.80 -7.487760921e+00 -7.487760921e+00 2.82 -7.522430096e+00 -7.522430096e+00 2.84 -7.546201537e+00 -7.546201537e+00 2.86 -7.559833751e+00 -7.559833751e+00 2.88 -7.563927153e+00 -7.563927153e+00 2.90 -7.559044928e+00 -7.559044928e+00 2.92 -7.545708168e+00 -7.545708168e+00 2.94 -7.524331185e+00 -7.524331185e+00 2.96 -7.495445299e+00 -7.495445299e+00 2.98 -7.459352004e+00 -7.459352004e+00 3.00 -7.416069096e+00 -7.416069096e+00 3.02 -7.365524563e+00 -7.365524563e+00 3.04 -7.307704481e+00 -7.307704481e+00 3.06 -7.242656682e+00 -7.242656682e+00 3.08 -7.170462407e+00 -7.170462407e+00 3.10 -7.091234964e+00 -7.091234964e+00 3.12 -7.005061601e+00 -7.005061601e+00 3.14 -6.911948136e+00 -6.911948136e+00 3.16 -6.811919118e+00 -6.811919118e+00 3.18 -6.705051937e+00 -6.705051937e+00 3.20 -6.591479980e+00 -6.591479980e+00 3.22 -6.471402422e+00 -6.471402422e+00 3.24 -6.345096269e+00 -6.345096269e+00 3.26 -6.212928319e+00 -6.212928319e+00 3.28 -6.075363983e+00 -6.075363983e+00 3.30 -5.932969669e+00 -5.932969669e+00 3.32 -5.786406124e+00 -5.786406124e+00 3.34 -5.636411843e+00 -5.636411843e+00 3.36 -5.483777813e+00 -5.483777813e+00 3.38 -5.329316766e+00 -5.329316766e+00 3.40 -5.173830162e+00 -5.173830162e+00 3.42 -5.018081433e+00 -5.018081433e+00 3.44 -4.862765392e+00 -4.862765392e+00 3.46 -4.708492462e+00 -4.708492462e+00 3.48 -4.555774342e+00 -4.555774342e+00 3.50 -4.405016608e+00 -4.405016608e+00 3.52 -4.256516904e+00 -4.256516904e+00 3.54 -4.110468411e+00 -4.110468411e+00 3.56 -3.966968217e+00 -3.966968217e+00 3.58 -3.826030077e+00 -3.826030077e+00 3.60 -3.687600856e+00 -3.687600856e+00 3.62 -3.551579757e+00 -3.551579757e+00 3.64 -3.417839254e+00 -3.417839254e+00 3.66 -3.286246571e+00 -3.286246571e+00 3.68 -3.156684524e+00 -3.156684524e+00 3.70 -3.029070522e+00 -3.029070522e+00 3.72 -2.903372628e+00 -2.903372628e+00 3.74 -2.779621623e+00 -2.779621623e+00 3.76 -2.657918197e+00 -2.657918197e+00 3.78 -2.538434594e+00 -2.538434594e+00 3.80 -2.421410339e+00 -2.421410339e+00 3.82 -2.307142106e+00 -2.307142106e+00 3.84 -2.195968269e+00 -2.195968269e+00 3.86 -2.088249213e+00 -2.088249213e+00 3.88 -1.984345066e+00 -1.984345066e+00 3.90 -1.884592847e+00 -1.884592847e+00 3.92 -1.789283498e+00 -1.789283498e+00 3.94 -1.698651912e+00 -1.698651912e+00 3.96 -1.612853028e+00 -1.612853028e+00 3.98 -1.531964201e+00 -1.531964201e+00 4.00 -1.455983195e+00 -1.455983195e+00 4.02 -1.384833737e+00 -1.384833737e+00 4.04 -1.318375071e+00 -1.318375071e+00 4.06 -1.256413962e+00 -1.256413962e+00 4.08 -1.198717666e+00 -1.198717666e+00 4.10 -1.145021031e+00 -1.145021031e+00 4.12 -1.095061575e+00 -1.095061575e+00 4.14 -1.048552283e+00 -1.048552283e+00 4.16 -1.005215786e+00 -1.005215786e+00 4.18 -9.647835454e-01 -9.647835454e-01 4.20 -9.270002682e-01 -9.270002682e-01 4.22 -8.916268165e-01 -8.916268165e-01 4.24 -8.584418807e-01 -8.584418807e-01 4.26 -8.272426724e-01 -8.272426724e-01 4.28 -7.978448783e-01 -7.978448783e-01 4.30 -7.700820814e-01 -7.700820814e-01 4.32 -7.438048217e-01 -7.438048217e-01 4.34 -7.188794324e-01 -7.188794324e-01 4.36 -6.951867575e-01 -6.951867575e-01 4.38 -6.726208265e-01 -6.726208265e-01 4.40 -6.510875462e-01 -6.510875462e-01 4.42 -6.305034448e-01 -6.305034448e-01 4.44 -6.107944634e-01 -6.107944634e-01 4.46 -5.918946910e-01 -5.918946910e-01 4.48 -5.737459574e-01 -5.737459574e-01 4.50 -5.562965488e-01 -5.562965488e-01 4.52 -5.395003383e-01 -5.395003383e-01 4.54 -5.233161122e-01 -5.233161122e-01 4.56 -5.077069644e-01 -5.077069644e-01 4.58 -4.926397565e-01 -4.926397565e-01 4.60 -4.780846415e-01 -4.780846415e-01 4.62 -4.640146445e-01 -4.640146445e-01 4.64 -4.504052960e-01 -4.504052960e-01 4.66 -4.372343123e-01 -4.372343123e-01 4.68 -4.244813167e-01 -4.244813167e-01 4.70 -4.121275974e-01 -4.121275974e-01 4.72 -4.001558969e-01 -4.001558969e-01 4.74 -3.885502285e-01 -3.885502285e-01 4.76 -3.772957176e-01 -3.772957176e-01 4.78 -3.663784624e-01 -3.663784624e-01 4.80 -3.557822356e-01 -3.557822356e-01 4.82 -3.455016295e-01 -3.455016295e-01 4.84 -3.355211805e-01 -3.355211805e-01 4.86 -3.258298265e-01 -3.258298265e-01 4.88 -3.164170027e-01 -3.164170027e-01 4.90 -3.072725780e-01 -3.072725780e-01 4.92 -2.983867999e-01 -2.983867999e-01 4.94 -2.897502447e-01 -2.897502447e-01 4.96 -2.813537747e-01 -2.813537747e-01 4.98 -2.731884992e-01 -2.731884992e-01 5.00 -2.652457422e-01 -2.652457422e-01 5.02 -2.575170144e-01 -2.575170144e-01 5.04 -2.499939907e-01 -2.499939907e-01 5.06 -2.426684947e-01 -2.426684947e-01 5.08 -2.355324882e-01 -2.355324882e-01 5.10 -2.285780706e-01 -2.285780706e-01 5.12 -2.217974856e-01 -2.217974856e-01 5.14 -2.151831397e-01 -2.151831397e-01 5.16 -2.087276322e-01 -2.087276322e-01 5.18 -2.024237987e-01 -2.024237987e-01 5.20 -1.962647708e-01 -1.962647708e-01 5.22 -1.902440501e-01 -1.902440501e-01 5.24 -1.843555993e-01 -1.843555993e-01 5.26 -1.785939473e-01 -1.785939473e-01 5.28 -1.729543057e-01 -1.729543057e-01 5.30 -1.674326913e-01 -1.674326913e-01 5.32 -1.620260471e-01 -1.620260471e-01 5.34 -1.567323489e-01 -1.567323489e-01 5.36 -1.515506888e-01 -1.515506888e-01 5.38 -1.464813180e-01 -1.464813180e-01 5.40 -1.415256331e-01 -1.415256331e-01 5.42 -1.366860988e-01 -1.366860988e-01 5.44 -1.319660961e-01 -1.319660961e-01 5.46 -1.273696990e-01 -1.273696990e-01 5.48 -1.229013826e-01 -1.229013826e-01 5.50 -1.185656890e-01 -1.185656890e-01 5.52 -1.143668729e-01 -1.143668729e-01 5.54 -1.103085540e-01 -1.103085540e-01 5.56 -1.063934086e-01 -1.063934086e-01 5.58 -1.026229270e-01 -1.026229270e-01 5.60 -9.899713698e-02 -9.899713698e-02 5.62 -9.551471271e-02 -9.551471271e-02 5.64 -9.217311184e-02 -9.217311184e-02 5.66 -8.896846186e-02 -8.896846186e-02 5.68 -8.589572653e-02 -8.589572653e-02 5.70 -8.294891096e-02 -8.294891096e-02 5.72 -8.012128269e-02 -8.012128269e-02 5.74 -7.740559028e-02 -7.740559028e-02 5.76 -7.479426514e-02 -7.479426514e-02 5.78 -7.227959750e-02 -7.227959750e-02 5.80 -6.985388194e-02 -6.985388194e-02 5.82 -6.750953180e-02 -6.750953180e-02 5.84 -6.523916459e-02 -6.523916459e-02 5.86 -6.303566253e-02 -6.303566253e-02 5.88 -6.089221309e-02 -6.089221309e-02 5.90 -5.880233505e-02 -5.880233505e-02 5.92 -5.675989506e-02 -5.675989506e-02 5.94 -5.475911987e-02 -5.475911987e-02 5.96 -5.279460824e-02 -5.279460824e-02 5.98 -5.086134613e-02 -5.086134613e-02 6.00 -4.895472667e-02 -4.895472667e-02