# 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 = MoPt2Ta # 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 4.421357682e+02 4.421357682e+02 1.30 4.130073329e+02 4.130073329e+02 1.32 3.858301353e+02 3.858301353e+02 1.34 3.604672607e+02 3.604672607e+02 1.36 3.367917902e+02 3.367917902e+02 1.38 3.146854527e+02 3.146854527e+02 1.40 2.940376004e+02 2.940376004e+02 1.42 2.747438962e+02 2.747438962e+02 1.44 2.567036017e+02 2.567036017e+02 1.46 2.398186681e+02 2.398186681e+02 1.48 2.239974888e+02 2.239974888e+02 1.50 2.091597827e+02 2.091597827e+02 1.52 1.952373829e+02 1.952373829e+02 1.54 1.821705015e+02 1.821705015e+02 1.56 1.699028655e+02 1.699028655e+02 1.58 1.583785702e+02 1.583785702e+02 1.60 1.475412545e+02 1.475412545e+02 1.62 1.373349897e+02 1.373349897e+02 1.64 1.277061570e+02 1.277061570e+02 1.66 1.186057242e+02 1.186057242e+02 1.68 1.099913574e+02 1.099913574e+02 1.70 1.018287448e+02 1.018287448e+02 1.72 9.409151718e+01 9.409151718e+01 1.74 8.675948740e+01 8.675948740e+01 1.76 7.981580862e+01 7.981580862e+01 1.78 7.324442211e+01 7.324442211e+01 1.80 6.702885277e+01 6.702885277e+01 1.82 6.115231014e+01 6.115231014e+01 1.84 5.559901331e+01 5.559901331e+01 1.86 5.035688284e+01 5.035688284e+01 1.88 4.541328728e+01 4.541328728e+01 1.90 4.076534350e+01 4.076534350e+01 1.92 3.649117657e+01 3.649117657e+01 1.94 3.258555327e+01 3.258555327e+01 1.96 2.901798814e+01 2.901798814e+01 1.98 2.575989906e+01 2.575989906e+01 2.00 2.278511758e+01 2.278511758e+01 2.02 2.006987253e+01 2.006987253e+01 2.04 1.759238270e+01 1.759238270e+01 2.06 1.533239262e+01 1.533239262e+01 2.08 1.327088737e+01 1.327088737e+01 2.10 1.139002154e+01 1.139002154e+01 2.12 9.673174609e+00 9.673174609e+00 2.14 8.105036976e+00 8.105036976e+00 2.16 6.671678723e+00 6.671678723e+00 2.18 5.360586792e+00 5.360586792e+00 2.20 4.160660266e+00 4.160660266e+00 2.22 3.062151576e+00 3.062151576e+00 2.24 2.056551378e+00 2.056551378e+00 2.26 1.136431273e+00 1.136431273e+00 2.28 2.952685244e-01 2.952685244e-01 2.30 -4.727235849e-01 -4.727235849e-01 2.32 -1.172743039e+00 -1.172743039e+00 2.34 -1.809516109e+00 -1.809516109e+00 2.36 -2.387384407e+00 -2.387384407e+00 2.38 -2.910368763e+00 -2.910368763e+00 2.40 -3.382220487e+00 -3.382220487e+00 2.42 -3.806469870e+00 -3.806469870e+00 2.44 -4.186476592e+00 -4.186476592e+00 2.46 -4.525479614e+00 -4.525479614e+00 2.48 -4.826638795e+00 -4.826638795e+00 2.50 -5.093058392e+00 -5.093058392e+00 2.52 -5.327783376e+00 -5.327783376e+00 2.54 -5.533763088e+00 -5.533763088e+00 2.56 -5.713765112e+00 -5.713765112e+00 2.58 -5.870240955e+00 -5.870240955e+00 2.60 -6.005513871e+00 -6.005513871e+00 2.62 -6.121561753e+00 -6.121561753e+00 2.64 -6.219992486e+00 -6.219992486e+00 2.66 -6.302095977e+00 -6.302095977e+00 2.68 -6.368917675e+00 -6.368917675e+00 2.70 -6.421311874e+00 -6.421311874e+00 2.72 -6.460328782e+00 -6.460328782e+00 2.74 -6.488474629e+00 -6.488474629e+00 2.76 -6.506062012e+00 -6.506062012e+00 2.78 -6.513136758e+00 -6.513136758e+00 2.80 -6.509815262e+00 -6.509815262e+00 2.82 -6.496275612e+00 -6.496275612e+00 2.84 -6.472754123e+00 -6.472754123e+00 2.86 -6.439548467e+00 -6.439548467e+00 2.88 -6.397027089e+00 -6.397027089e+00 2.90 -6.345607075e+00 -6.345607075e+00 2.92 -6.285702877e+00 -6.285702877e+00 2.94 -6.217834084e+00 -6.217834084e+00 2.96 -6.142640284e+00 -6.142640284e+00 2.98 -6.060857271e+00 -6.060857271e+00 3.00 -5.973277940e+00 -5.973277940e+00 3.02 -5.880702369e+00 -5.880702369e+00 3.04 -5.783885572e+00 -5.783885572e+00 3.06 -5.683492690e+00 -5.683492690e+00 3.08 -5.580069248e+00 -5.580069248e+00 3.10 -5.474029888e+00 -5.474029888e+00 3.12 -5.365664316e+00 -5.365664316e+00 3.14 -5.255156149e+00 -5.255156149e+00 3.16 -5.142609218e+00 -5.142609218e+00 3.18 -5.028076547e+00 -5.028076547e+00 3.20 -4.911588403e+00 -4.911588403e+00 3.22 -4.793177299e+00 -4.793177299e+00 3.24 -4.672898783e+00 -4.672898783e+00 3.26 -4.550847467e+00 -4.550847467e+00 3.28 -4.427168009e+00 -4.427168009e+00 3.30 -4.302060939e+00 -4.302060939e+00 3.32 -4.175783351e+00 -4.175783351e+00 3.34 -4.048644713e+00 -4.048644713e+00 3.36 -3.920998362e+00 -3.920998362e+00 3.38 -3.793229521e+00 -3.793229521e+00 3.40 -3.665740933e+00 -3.665740933e+00 3.42 -3.538937320e+00 -3.538937320e+00 3.44 -3.413209854e+00 -3.413209854e+00 3.46 -3.288921757e+00 -3.288921757e+00 3.48 -3.166395952e+00 -3.166395952e+00 3.50 -3.045918340e+00 -3.045918340e+00 3.52 -2.927938602e+00 -2.927938602e+00 3.54 -2.812982123e+00 -2.812982123e+00 3.56 -2.701437307e+00 -2.701437307e+00 3.58 -2.593564147e+00 -2.593564147e+00 3.60 -2.489513805e+00 -2.489513805e+00 3.62 -2.389350085e+00 -2.389350085e+00 3.64 -2.293071055e+00 -2.293071055e+00 3.66 -2.200629269e+00 -2.200629269e+00 3.68 -2.111949417e+00 -2.111949417e+00 3.70 -2.026942607e+00 -2.026942607e+00 3.72 -1.945516859e+00 -1.945516859e+00 3.74 -1.867583760e+00 -1.867583760e+00 3.76 -1.793061537e+00 -1.793061537e+00 3.78 -1.721875055e+00 -1.721875055e+00 3.80 -1.653953462e+00 -1.653953462e+00 3.82 -1.589226331e+00 -1.589226331e+00 3.84 -1.527619189e+00 -1.527619189e+00 3.86 -1.469049271e+00 -1.469049271e+00 3.88 -1.413422211e+00 -1.413422211e+00 3.90 -1.360630126e+00 -1.360630126e+00 3.92 -1.310551303e+00 -1.310551303e+00 3.94 -1.263051482e+00 -1.263051482e+00 3.96 -1.217986424e+00 -1.217986424e+00 3.98 -1.175205448e+00 -1.175205448e+00 4.00 -1.134555435e+00 -1.134555435e+00 4.02 -1.095884900e+00 -1.095884900e+00 4.04 -1.059047744e+00 -1.059047744e+00 4.06 -1.023906403e+00 -1.023906403e+00 4.08 -9.903341859e-01 -9.903341859e-01 4.10 -9.582166887e-01 -9.582166887e-01 4.12 -9.274522911e-01 -9.274522911e-01 4.14 -8.979516526e-01 -8.979516526e-01 4.16 -8.696364899e-01 -8.696364899e-01 4.18 -8.424376882e-01 -8.424376882e-01 4.20 -8.162930433e-01 -8.162930433e-01 4.22 -7.911448987e-01 -7.911448987e-01 4.24 -7.669379494e-01 -7.669379494e-01 4.26 -7.436174311e-01 -7.436174311e-01 4.28 -7.211278368e-01 -7.211278368e-01 4.30 -6.994121950e-01 -6.994121950e-01 4.32 -6.784118592e-01 -6.784118592e-01 4.34 -6.580666859e-01 -6.580666859e-01 4.36 -6.383154563e-01 -6.383154563e-01 4.38 -6.190963992e-01 -6.190963992e-01 4.40 -6.003477094e-01 -6.003477094e-01 4.42 -5.820079937e-01 -5.820079937e-01 4.44 -5.640166258e-01 -5.640166258e-01 4.46 -5.463140196e-01 -5.463140196e-01 4.48 -5.288418488e-01 -5.288418488e-01 4.50 -5.115433253e-01 -5.115433253e-01 4.52 -4.943634752e-01 -4.943634752e-01 4.54 -4.772495539e-01 -4.772495539e-01 4.56 -4.601525959e-01 -4.601525959e-01 4.58 -4.430268936e-01 -4.430268936e-01 4.60 -4.258294891e-01 -4.258294891e-01 4.62 -4.085242176e-01 -4.085242176e-01 4.64 -3.910829142e-01 -3.910829142e-01 4.66 -3.734869249e-01 -3.734869249e-01 4.68 -3.557288279e-01 -3.557288279e-01 4.70 -3.378141974e-01 -3.378141974e-01 4.72 -3.197632104e-01 -3.197632104e-01 4.74 -3.016118792e-01 -3.016118792e-01 4.76 -2.834126777e-01 -2.834126777e-01 4.78 -2.652343416e-01 -2.652343416e-01 4.80 -2.471606720e-01 -2.471606720e-01 4.82 -2.292882517e-01 -2.292882517e-01 4.84 -2.117230883e-01 -2.117230883e-01 4.86 -1.945763564e-01 -1.945763564e-01 4.88 -1.779595140e-01 -1.779595140e-01 4.90 -1.619791886e-01 -1.619791886e-01 4.92 -1.467322785e-01 -1.467322785e-01 4.94 -1.323016980e-01 -1.323016980e-01 4.96 -1.187531242e-01 -1.187531242e-01 4.98 -1.061329721e-01 -1.061329721e-01 5.00 -9.446767681e-02 -9.446767681e-02 5.02 -8.376420998e-02 -8.376420998e-02 5.04 -7.401163836e-02 -7.401163836e-02 5.06 -6.518345617e-02 -6.518345617e-02 5.08 -5.724039214e-02 -5.724039214e-02 5.10 -5.013340594e-02 -5.013340594e-02 5.12 -4.380663205e-02 -4.380663205e-02 5.14 -3.820008899e-02 -3.820008899e-02 5.16 -3.325203628e-02 -3.325203628e-02 5.18 -2.890091969e-02 -2.890091969e-02 5.20 -2.508688987e-02 -2.508688987e-02 5.22 -2.175292469e-02 -2.175292469e-02 5.24 -1.884559265e-02 -1.884559265e-02 5.26 -1.631539096e-02 -1.631539096e-02 5.28 -1.411682176e-02 -1.411682176e-02 5.30 -1.220942482e-02 -1.220942482e-02 5.32 -1.055682065e-02 -1.055682065e-02 5.34 -9.126486931e-03 -9.126486931e-03 5.36 -7.889556469e-03 -7.889556469e-03 5.38 -6.820555982e-03 -6.820555982e-03 5.40 -5.897115184e-03 -5.897115184e-03 5.42 -5.099666750e-03 -5.099666750e-03 5.44 -4.411151163e-03 -4.411151163e-03 5.46 -3.816735435e-03 -3.816735435e-03 5.48 -3.303551108e-03 -3.303551108e-03 5.50 -2.860454275e-03 -2.860454275e-03 5.52 -2.477808635e-03 -2.477808635e-03 5.54 -2.147291344e-03 -2.147291344e-03 5.56 -1.861720655e-03 -1.861720655e-03 5.58 -1.614903914e-03 -1.614903914e-03 5.60 -1.401504192e-03 -1.401504192e-03 5.62 -1.216923779e-03 -1.216923779e-03 5.64 -1.057202767e-03 -1.057202767e-03 5.66 -9.189310118e-04 -9.189310118e-04 5.68 -7.991719004e-04 -7.991719004e-04 5.70 -6.953964539e-04 -6.953964539e-04 5.72 -6.054264630e-04 -6.054264630e-04 5.74 -5.273854749e-04 -5.273854749e-04 5.76 -4.596565892e-04 -4.596565892e-04 5.78 -4.008461458e-04 -4.008461458e-04 5.80 -3.497525008e-04 -3.497525008e-04 5.82 -3.053391872e-04 -3.053391872e-04 5.84 -2.667118531e-04 -2.667118531e-04 5.86 -2.330984476e-04 -2.330984476e-04 5.88 -2.038321990e-04 -2.038321990e-04 5.90 -1.783369906e-04 -1.783369906e-04 5.92 -1.561147971e-04 -1.561147971e-04 5.94 -1.367348864e-04 -1.367348864e-04 5.96 -1.198245400e-04 -1.198245400e-04 5.98 -1.050610738e-04 -1.050610738e-04 6.00 -9.216497666e-05 -9.216497666e-05