# 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 = MgPtTa2 # 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 4.800804855e+02 4.800804855e+02 1.30 4.471580312e+02 4.471580312e+02 1.32 4.165814722e+02 4.165814722e+02 1.34 3.881774727e+02 3.881774727e+02 1.36 3.617800276e+02 3.617800276e+02 1.38 3.372277489e+02 3.372277489e+02 1.40 3.143649024e+02 3.143649024e+02 1.42 2.930457359e+02 2.930457359e+02 1.44 2.731392944e+02 2.731392944e+02 1.46 2.545323209e+02 2.545323209e+02 1.48 2.371293251e+02 2.371293251e+02 1.50 2.208500257e+02 2.208500257e+02 1.52 2.056249430e+02 2.056249430e+02 1.54 1.913904804e+02 1.913904804e+02 1.56 1.780850760e+02 1.780850760e+02 1.58 1.656474318e+02 1.656474318e+02 1.60 1.540166872e+02 1.540166872e+02 1.62 1.431337196e+02 1.431337196e+02 1.64 1.329427085e+02 1.329427085e+02 1.66 1.233924262e+02 1.233924262e+02 1.68 1.144370252e+02 1.144370252e+02 1.70 1.060361997e+02 1.060361997e+02 1.72 9.815461708e+01 9.815461708e+01 1.74 9.076058457e+01 9.076058457e+01 1.76 8.382434152e+01 8.382434152e+01 1.78 7.731672533e+01 7.731672533e+01 1.80 7.120873923e+01 7.120873923e+01 1.82 6.547189889e+01 6.547189889e+01 1.84 6.007952783e+01 6.007952783e+01 1.86 5.501312345e+01 5.501312345e+01 1.88 5.025047102e+01 5.025047102e+01 1.90 4.576967013e+01 4.576967013e+01 1.92 4.156891499e+01 4.156891499e+01 1.94 3.767489825e+01 3.767489825e+01 1.96 3.407121082e+01 3.407121082e+01 1.98 3.074109106e+01 3.074109106e+01 2.00 2.766884615e+01 2.766884615e+01 2.02 2.483905211e+01 2.483905211e+01 2.04 2.223607556e+01 2.223607556e+01 2.06 1.984399723e+01 1.984399723e+01 2.08 1.764686535e+01 1.764686535e+01 2.10 1.562910242e+01 1.562910242e+01 2.12 1.377589786e+01 1.377589786e+01 2.14 1.207348138e+01 1.207348138e+01 2.16 1.050926161e+01 1.050926161e+01 2.18 9.071855656e+00 9.071855656e+00 2.20 7.751044890e+00 7.751044890e+00 2.22 6.537678659e+00 6.537678659e+00 2.24 5.423545638e+00 5.423545638e+00 2.26 4.401228164e+00 4.401228164e+00 2.28 3.463956403e+00 3.463956403e+00 2.30 2.605474262e+00 2.605474262e+00 2.32 1.819931540e+00 1.819931540e+00 2.34 1.101810240e+00 1.101810240e+00 2.36 4.458865394e-01 4.458865394e-01 2.38 -1.527734406e-01 -1.527734406e-01 2.40 -6.987959820e-01 -6.987959820e-01 2.42 -1.196475198e+00 -1.196475198e+00 2.44 -1.649754781e+00 -1.649754781e+00 2.46 -2.062227979e+00 -2.062227979e+00 2.48 -2.437158569e+00 -2.437158569e+00 2.50 -2.777519512e+00 -2.777519512e+00 2.52 -3.086038008e+00 -3.086038008e+00 2.54 -3.365175171e+00 -3.365175171e+00 2.56 -3.617097592e+00 -3.617097592e+00 2.58 -3.844140737e+00 -3.844140737e+00 2.60 -4.048427748e+00 -4.048427748e+00 2.62 -4.231826361e+00 -4.231826361e+00 2.64 -4.395964881e+00 -4.395964881e+00 2.66 -4.542259733e+00 -4.542259733e+00 2.68 -4.671951792e+00 -4.671951792e+00 2.70 -4.786127205e+00 -4.786127205e+00 2.72 -4.886025960e+00 -4.886025960e+00 2.74 -4.972897873e+00 -4.972897873e+00 2.76 -5.047028604e+00 -5.047028604e+00 2.78 -5.108728285e+00 -5.108728285e+00 2.80 -5.158337598e+00 -5.158337598e+00 2.82 -5.196217849e+00 -5.196217849e+00 2.84 -5.222747491e+00 -5.222747491e+00 2.86 -5.238322534e+00 -5.238322534e+00 2.88 -5.243360781e+00 -5.243360781e+00 2.90 -5.238308097e+00 -5.238308097e+00 2.92 -5.223644532e+00 -5.223644532e+00 2.94 -5.199887604e+00 -5.199887604e+00 2.96 -5.167590171e+00 -5.167590171e+00 2.98 -5.127331193e+00 -5.127331193e+00 3.00 -5.079699533e+00 -5.079699533e+00 3.02 -5.025273165e+00 -5.025273165e+00 3.04 -4.964597857e+00 -4.964597857e+00 3.06 -4.898170949e+00 -4.898170949e+00 3.08 -4.826431261e+00 -4.826431261e+00 3.10 -4.749760153e+00 -4.749760153e+00 3.12 -4.668489999e+00 -4.668489999e+00 3.14 -4.582920348e+00 -4.582920348e+00 3.16 -4.493335404e+00 -4.493335404e+00 3.18 -4.400024929e+00 -4.400024929e+00 3.20 -4.303302619e+00 -4.303302619e+00 3.22 -4.203521657e+00 -4.203521657e+00 3.24 -4.101085548e+00 -4.101085548e+00 3.26 -3.996452812e+00 -3.996452812e+00 3.28 -3.890134415e+00 -3.890134415e+00 3.30 -3.782683505e+00 -3.782683505e+00 3.32 -3.674677895e+00 -3.674677895e+00 3.34 -3.566696964e+00 -3.566696964e+00 3.36 -3.459295590e+00 -3.459295590e+00 3.38 -3.352978374e+00 -3.352978374e+00 3.40 -3.248177305e+00 -3.248177305e+00 3.42 -3.145235587e+00 -3.145235587e+00 3.44 -3.044398539e+00 -3.044398539e+00 3.46 -2.945812505e+00 -2.945812505e+00 3.48 -2.849530405e+00 -2.849530405e+00 3.50 -2.755522673e+00 -2.755522673e+00 3.52 -2.663691764e+00 -2.663691764e+00 3.54 -2.573888513e+00 -2.573888513e+00 3.56 -2.485936008e+00 -2.485936008e+00 3.58 -2.399728351e+00 -2.399728351e+00 3.60 -2.315214289e+00 -2.315214289e+00 3.62 -2.232348379e+00 -2.232348379e+00 3.64 -2.151103302e+00 -2.151103302e+00 3.66 -2.071503902e+00 -2.071503902e+00 3.68 -1.993550294e+00 -1.993550294e+00 3.70 -1.917258136e+00 -1.917258136e+00 3.72 -1.842680894e+00 -1.842680894e+00 3.74 -1.769906863e+00 -1.769906863e+00 3.76 -1.699036082e+00 -1.699036082e+00 3.78 -1.630071284e+00 -1.630071284e+00 3.80 -1.562994712e+00 -1.562994712e+00 3.82 -1.497820288e+00 -1.497820288e+00 3.84 -1.434586497e+00 -1.434586497e+00 3.86 -1.373348125e+00 -1.373348125e+00 3.88 -1.314167443e+00 -1.314167443e+00 3.90 -1.257105414e+00 -1.257105414e+00 3.92 -1.202213545e+00 -1.202213545e+00 3.94 -1.149527386e+00 -1.149527386e+00 3.96 -1.099061241e+00 -1.099061241e+00 3.98 -1.050805803e+00 -1.050805803e+00 4.00 -1.004727725e+00 -1.004727725e+00 4.02 -9.607714385e-01 -9.607714385e-01 4.04 -9.188627797e-01 -9.188627797e-01 4.06 -8.789139247e-01 -8.789139247e-01 4.08 -8.408290387e-01 -8.408290387e-01 4.10 -8.045096725e-01 -8.045096725e-01 4.12 -7.698616108e-01 -7.698616108e-01 4.14 -7.367967663e-01 -7.367967663e-01 4.16 -7.052378917e-01 -7.052378917e-01 4.18 -6.751195080e-01 -6.751195080e-01 4.20 -6.463876462e-01 -6.463876462e-01 4.22 -6.189980923e-01 -6.189980923e-01 4.24 -5.929134831e-01 -5.929134831e-01 4.26 -5.680997495e-01 -5.680997495e-01 4.28 -5.445224670e-01 -5.445224670e-01 4.30 -5.221436378e-01 -5.221436378e-01 4.32 -5.009193056e-01 -5.009193056e-01 4.34 -4.807982136e-01 -4.807982136e-01 4.36 -4.617215247e-01 -4.617215247e-01 4.38 -4.436234573e-01 -4.436234573e-01 4.40 -4.264325887e-01 -4.264325887e-01 4.42 -4.100735420e-01 -4.100735420e-01 4.44 -3.944687984e-01 -3.944687984e-01 4.46 -3.795404319e-01 -3.795404319e-01 4.48 -3.652116412e-01 -3.652116412e-01 4.50 -3.514080295e-01 -3.514080295e-01 4.52 -3.380585925e-01 -3.380585925e-01 4.54 -3.250965221e-01 -3.250965221e-01 4.56 -3.124598514e-01 -3.124598514e-01 4.58 -3.000916145e-01 -3.000916145e-01 4.60 -2.879403670e-01 -2.879403670e-01 4.62 -2.759627281e-01 -2.759627281e-01 4.64 -2.641218963e-01 -2.641218963e-01 4.66 -2.523883756e-01 -2.523883756e-01 4.68 -2.407408002e-01 -2.407408002e-01 4.70 -2.291666664e-01 -2.291666664e-01 4.72 -2.176629244e-01 -2.176629244e-01 4.74 -2.062363516e-01 -2.062363516e-01 4.76 -1.949036104e-01 -1.949036104e-01 4.78 -1.836908929e-01 -1.836908929e-01 4.80 -1.726328674e-01 -1.726328674e-01 4.82 -1.617721632e-01 -1.617721632e-01 4.84 -1.511561261e-01 -1.511561261e-01 4.86 -1.408354613e-01 -1.408354613e-01 4.88 -1.308614599e-01 -1.308614599e-01 4.90 -1.212831547e-01 -1.212831547e-01 4.92 -1.121448587e-01 -1.121448587e-01 4.94 -1.034840238e-01 -1.034840238e-01 4.96 -9.532959723e-02 -9.532959723e-02 4.98 -8.770101325e-02 -8.770101325e-02 5.00 -8.060785184e-02 -8.060785184e-02 5.02 -7.405011989e-02 -7.405011989e-02 5.04 -6.801905298e-02 -6.801905298e-02 5.06 -6.249829906e-02 -6.249829906e-02 5.08 -5.746533255e-02 -5.746533255e-02 5.10 -5.289295599e-02 -5.289295599e-02 5.12 -4.875077002e-02 -4.875077002e-02 5.14 -4.500651324e-02 -4.500651324e-02 5.16 -4.162723242e-02 -4.162723242e-02 5.18 -3.858024166e-02 -3.858024166e-02 5.20 -3.583386744e-02 -3.583386744e-02 5.22 -3.335799305e-02 -3.335799305e-02 5.24 -3.112442991e-02 -3.112442991e-02 5.26 -2.910713290e-02 -2.910713290e-02 5.28 -2.728229792e-02 -2.728229792e-02 5.30 -2.562836850e-02 -2.562836850e-02 5.32 -2.412597463e-02 -2.412597463e-02 5.34 -2.275782456e-02 -2.275782456e-02 5.36 -2.150856656e-02 -2.150856656e-02 5.38 -2.036463347e-02 -2.036463347e-02 5.40 -1.931408022e-02 -1.931408022e-02 5.42 -1.834642104e-02 -1.834642104e-02 5.44 -1.745244241e-02 -1.745244241e-02 5.46 -1.662405984e-02 -1.662405984e-02 5.48 -1.585427815e-02 -1.585427815e-02 5.50 -1.513698108e-02 -1.513698108e-02 5.52 -1.446681396e-02 -1.446681396e-02 5.54 -1.383908132e-02 -1.383908132e-02 5.56 -1.324965611e-02 -1.324965611e-02 5.58 -1.269490013e-02 -1.269490013e-02 5.60 -1.217159518e-02 -1.217159518e-02 5.62 -1.167688393e-02 -1.167688393e-02 5.64 -1.120821965e-02 -1.120821965e-02 5.66 -1.076332361e-02 -1.076332361e-02 5.68 -1.034014916e-02 -1.034014916e-02 5.70 -9.936851329e-03 -9.936851329e-03 5.72 -9.551761066e-03 -9.551761066e-03 5.74 -9.183363246e-03 -9.183363246e-03 5.76 -8.830277836e-03 -8.830277836e-03 5.78 -8.491243646e-03 -8.491243646e-03 5.80 -8.165104278e-03 -8.165104278e-03 5.82 -7.850795996e-03 -7.850795996e-03 5.84 -7.547337303e-03 -7.547337303e-03 5.86 -7.253820100e-03 -7.253820100e-03 5.88 -6.969402336e-03 -6.969402336e-03 5.90 -6.693302110e-03 -6.693302110e-03 5.92 -6.424793197e-03 -6.424793197e-03 5.94 -6.163201983e-03 -6.163201983e-03 5.96 -5.907905820e-03 -5.907905820e-03 5.98 -5.658332763e-03 -5.658332763e-03 6.00 -5.413962684e-03 -5.413962684e-03