# 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 = PdPtTa2 # 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 4.448499596e+02 4.448499596e+02 1.30 4.148671485e+02 4.148671485e+02 1.32 3.870059119e+02 3.870059119e+02 1.34 3.611106437e+02 3.611106437e+02 1.36 3.370253861e+02 3.370253861e+02 1.38 3.145971202e+02 3.145971202e+02 1.40 2.936806948e+02 2.936806948e+02 1.42 2.741431989e+02 2.741431989e+02 1.44 2.558666136e+02 2.558666136e+02 1.46 2.387492864e+02 2.387492864e+02 1.48 2.227065318e+02 2.227065318e+02 1.50 2.076693368e+02 2.076693368e+02 1.52 1.935803551e+02 1.935803551e+02 1.54 1.803881551e+02 1.803881551e+02 1.56 1.680419950e+02 1.680419950e+02 1.58 1.564889771e+02 1.564889771e+02 1.60 1.456739493e+02 1.456739493e+02 1.62 1.355413040e+02 1.355413040e+02 1.64 1.260374295e+02 1.260374295e+02 1.66 1.171128422e+02 1.171128422e+02 1.68 1.087235156e+02 1.087235156e+02 1.70 1.008312324e+02 1.008312324e+02 1.72 9.340291093e+01 9.340291093e+01 1.74 8.640905312e+01 8.640905312e+01 1.76 7.982189032e+01 7.982189032e+01 1.78 7.361409056e+01 7.361409056e+01 1.80 6.775855695e+01 6.775855695e+01 1.82 6.222911965e+01 6.222911965e+01 1.84 5.700148841e+01 5.700148841e+01 1.86 5.205404610e+01 5.205404610e+01 1.88 4.737410184e+01 4.737410184e+01 1.90 4.294858024e+01 4.294858024e+01 1.92 3.876315128e+01 3.876315128e+01 1.94 3.483344061e+01 3.483344061e+01 1.96 3.120102982e+01 3.120102982e+01 1.98 2.785251513e+01 2.785251513e+01 2.00 2.477327508e+01 2.477327508e+01 2.02 2.194864433e+01 2.194864433e+01 2.04 1.936323435e+01 1.936323435e+01 2.06 1.700070676e+01 1.700070676e+01 2.08 1.484401824e+01 1.484401824e+01 2.10 1.287596746e+01 1.287596746e+01 2.12 1.107981029e+01 1.107981029e+01 2.14 9.439767767e+00 9.439767767e+00 2.16 7.941354831e+00 7.941354831e+00 2.18 6.571534664e+00 6.571534664e+00 2.20 5.318734407e+00 5.318734407e+00 2.22 4.172760651e+00 4.172760651e+00 2.24 3.124649249e+00 3.124649249e+00 2.26 2.166480806e+00 2.166480806e+00 2.28 1.291189459e+00 1.291189459e+00 2.30 4.923871716e-01 4.923871716e-01 2.32 -2.357806619e-01 -2.357806619e-01 2.34 -8.987395449e-01 -8.987395449e-01 2.36 -1.501549265e+00 -1.501549265e+00 2.38 -2.048933372e+00 -2.048933372e+00 2.40 -2.545288020e+00 -2.545288020e+00 2.42 -2.994685509e+00 -2.994685509e+00 2.44 -3.400884849e+00 -3.400884849e+00 2.46 -3.767354871e+00 -3.767354871e+00 2.48 -4.097307463e+00 -4.097307463e+00 2.50 -4.393732422e+00 -4.393732422e+00 2.52 -4.659423088e+00 -4.659423088e+00 2.54 -4.896984684e+00 -4.896984684e+00 2.56 -5.108821906e+00 -5.108821906e+00 2.58 -5.296942535e+00 -5.296942535e+00 2.60 -5.463357925e+00 -5.463357925e+00 2.62 -5.609973980e+00 -5.609973980e+00 2.64 -5.738415969e+00 -5.738415969e+00 2.66 -5.850068313e+00 -5.850068313e+00 2.68 -5.946120788e+00 -5.946120788e+00 2.70 -6.027612068e+00 -6.027612068e+00 2.72 -6.095465073e+00 -6.095465073e+00 2.74 -6.150964685e+00 -6.150964685e+00 2.76 -6.195268645e+00 -6.195268645e+00 2.78 -6.228490425e+00 -6.228490425e+00 2.80 -6.250789381e+00 -6.250789381e+00 2.82 -6.262375991e+00 -6.262375991e+00 2.84 -6.263505481e+00 -6.263505481e+00 2.86 -6.254476689e+00 -6.254476689e+00 2.88 -6.235634599e+00 -6.235634599e+00 2.90 -6.207374318e+00 -6.207374318e+00 2.92 -6.170143794e+00 -6.170143794e+00 2.94 -6.124442478e+00 -6.124442478e+00 2.96 -6.070813689e+00 -6.070813689e+00 2.98 -6.009829819e+00 -6.009829819e+00 3.00 -5.942071436e+00 -5.942071436e+00 3.02 -5.868103398e+00 -5.868103398e+00 3.04 -5.788615932e+00 -5.788615932e+00 3.06 -5.704196657e+00 -5.704196657e+00 3.08 -5.615134756e+00 -5.615134756e+00 3.10 -5.521679463e+00 -5.521679463e+00 3.12 -5.424046972e+00 -5.424046972e+00 3.14 -5.322433131e+00 -5.322433131e+00 3.16 -5.217029881e+00 -5.217029881e+00 3.18 -5.108042938e+00 -5.108042938e+00 3.20 -4.995708576e+00 -4.995708576e+00 3.22 -4.880309763e+00 -4.880309763e+00 3.24 -4.762205276e+00 -4.762205276e+00 3.26 -4.641822642e+00 -4.641822642e+00 3.28 -4.519640263e+00 -4.519640263e+00 3.30 -4.396178681e+00 -4.396178681e+00 3.32 -4.271985172e+00 -4.271985172e+00 3.34 -4.147612852e+00 -4.147612852e+00 3.36 -4.023596562e+00 -4.023596562e+00 3.38 -3.900428356e+00 -3.900428356e+00 3.40 -3.778535515e+00 -3.778535515e+00 3.42 -3.658263577e+00 -3.658263577e+00 3.44 -3.539865964e+00 -3.539865964e+00 3.46 -3.423500811e+00 -3.423500811e+00 3.48 -3.309234517e+00 -3.309234517e+00 3.50 -3.197050876e+00 -3.197050876e+00 3.52 -3.086864205e+00 -3.086864205e+00 3.54 -2.978534906e+00 -2.978534906e+00 3.56 -2.871886068e+00 -2.871886068e+00 3.58 -2.766740271e+00 -2.766740271e+00 3.60 -2.663027286e+00 -2.663027286e+00 3.62 -2.560721331e+00 -2.560721331e+00 3.64 -2.459814420e+00 -2.459814420e+00 3.66 -2.360327808e+00 -2.360327808e+00 3.68 -2.262320419e+00 -2.262320419e+00 3.70 -2.165893881e+00 -2.165893881e+00 3.72 -2.071193842e+00 -2.071193842e+00 3.74 -1.978407351e+00 -1.978407351e+00 3.76 -1.887756294e+00 -1.887756294e+00 3.78 -1.799487199e+00 -1.799487199e+00 3.80 -1.713858116e+00 -1.713858116e+00 3.82 -1.631123661e+00 -1.631123661e+00 3.84 -1.551519599e+00 -1.551519599e+00 3.86 -1.475248478e+00 -1.475248478e+00 3.88 -1.402467720e+00 -1.402467720e+00 3.90 -1.333281246e+00 -1.333281246e+00 3.92 -1.267735269e+00 -1.267735269e+00 3.94 -1.205818338e+00 -1.205818338e+00 3.96 -1.147465206e+00 -1.147465206e+00 3.98 -1.092563776e+00 -1.092563776e+00 4.00 -1.040964123e+00 -1.040964123e+00 4.02 -9.924885848e-01 -9.924885848e-01 4.04 -9.469419832e-01 -9.469419832e-01 4.06 -9.041212451e-01 -9.041212451e-01 4.08 -8.638238506e-01 -8.638238506e-01 4.10 -8.258547501e-01 -8.258547501e-01 4.12 -7.900315786e-01 -7.900315786e-01 4.14 -7.561880245e-01 -7.561880245e-01 4.16 -7.241754944e-01 -7.241754944e-01 4.18 -6.938631359e-01 -6.938631359e-01 4.20 -6.651364836e-01 -6.651364836e-01 4.22 -6.378950463e-01 -6.378950463e-01 4.24 -6.120492267e-01 -6.120492267e-01 4.26 -5.875169992e-01 -5.875169992e-01 4.28 -5.642207532e-01 -5.642207532e-01 4.30 -5.420846340e-01 -5.420846340e-01 4.32 -5.210326002e-01 -5.210326002e-01 4.34 -5.009872784e-01 -5.009872784e-01 4.36 -4.818695729e-01 -4.818695729e-01 4.38 -4.635988954e-01 -4.635988954e-01 4.40 -4.460938262e-01 -4.460938262e-01 4.42 -4.292730429e-01 -4.292730429e-01 4.44 -4.130563295e-01 -4.130563295e-01 4.46 -3.973655523e-01 -3.973655523e-01 4.48 -3.821256672e-01 -3.821256672e-01 4.50 -3.672660642e-01 -3.672660642e-01 4.52 -3.527194811e-01 -3.527194811e-01 4.54 -3.384239604e-01 -3.384239604e-01 4.56 -3.243237196e-01 -3.243237196e-01 4.58 -3.103697037e-01 -3.103697037e-01 4.60 -2.965202905e-01 -2.965202905e-01 4.62 -2.827423202e-01 -2.827423202e-01 4.64 -2.690117013e-01 -2.690117013e-01 4.66 -2.553142597e-01 -2.553142597e-01 4.68 -2.416465112e-01 -2.416465112e-01 4.70 -2.280162406e-01 -2.280162406e-01 4.72 -2.144427806e-01 -2.144427806e-01 4.74 -2.009568806e-01 -2.009568806e-01 4.76 -1.876000720e-01 -1.876000720e-01 4.78 -1.744234638e-01 -1.744234638e-01 4.80 -1.614859531e-01 -1.614859531e-01 4.82 -1.488518955e-01 -1.488518955e-01 4.84 -1.365883310e-01 -1.365883310e-01 4.86 -1.247619476e-01 -1.247619476e-01 4.88 -1.134359823e-01 -1.134359823e-01 4.90 -1.026672992e-01 -1.026672992e-01 4.92 -9.250386953e-02 -9.250386953e-02 4.94 -8.298284367e-02 -8.298284367e-02 4.96 -7.412933978e-02 -7.412933978e-02 4.98 -6.595599845e-02 -6.595599845e-02 5.00 -5.846327168e-02 -5.846327168e-02 5.02 -5.164034744e-02 -5.164034744e-02 5.04 -4.546656363e-02 -4.546656363e-02 5.06 -3.991312216e-02 -3.991312216e-02 5.08 -3.494497381e-02 -3.494497381e-02 5.10 -3.052268875e-02 -3.052268875e-02 5.12 -2.660421124e-02 -2.660421124e-02 5.14 -2.314637792e-02 -2.314637792e-02 5.16 -2.010620051e-02 -2.010620051e-02 5.18 -1.744187325e-02 -1.744187325e-02 5.20 -1.511313849e-02 -1.511313849e-02 5.22 -1.308278704e-02 -1.308278704e-02 5.24 -1.131655877e-02 -1.131655877e-02 5.26 -9.783005707e-03 -9.783005707e-03 5.28 -8.453585155e-03 -8.453585155e-03 5.30 -7.302632335e-03 -7.302632335e-03 5.32 -6.307249193e-03 -6.307249193e-03 5.34 -5.447138746e-03 -5.447138746e-03 5.36 -4.704407555e-03 -4.704407555e-03 5.38 -4.063353180e-03 -4.063353180e-03 5.40 -3.510248713e-03 -3.510248713e-03 5.42 -3.033132762e-03 -3.033132762e-03 5.44 -2.621610321e-03 -2.621610321e-03 5.46 -2.266667779e-03 -2.266667779e-03 5.48 -1.960503741e-03 -1.960503741e-03 5.50 -1.696376194e-03 -1.696376194e-03 5.52 -1.468465770e-03 -1.468465770e-03 5.54 -1.271754392e-03 -1.271754392e-03 5.56 -1.101918244e-03 -1.101918244e-03 5.58 -9.552338775e-04 -9.552338775e-04 5.60 -8.284961987e-04 -8.284961987e-04 5.62 -7.189470877e-04 -7.189470877e-04 5.64 -6.242134535e-04 -6.242134535e-04 5.66 -5.422536088e-04 -5.422536088e-04 5.68 -4.713109397e-04 -4.713109397e-04 5.70 -4.098739421e-04 -4.098739421e-04 5.72 -3.566417962e-04 -3.566417962e-04 5.74 -3.104947427e-04 -3.104947427e-04 5.76 -2.704686108e-04 -2.704686108e-04 5.78 -2.357329320e-04 -2.357329320e-04 5.80 -2.055721424e-04 -2.055721424e-04 5.82 -1.793694430e-04 -1.793694430e-04 5.84 -1.565929456e-04 -1.565929456e-04 5.86 -1.367837814e-04 -1.367837814e-04 5.88 -1.195458941e-04 -1.195458941e-04 5.90 -1.045372788e-04 -1.045372788e-04 5.92 -9.146246016e-05 -9.146246016e-05 5.94 -8.006603381e-05 -8.006603381e-05 5.96 -7.012711898e-05 -7.012711898e-05 5.98 -6.145459253e-05 -6.145459253e-05 6.00 -5.388299291e-05 -5.388299291e-05