# 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 = Ag2FeTa # 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 2.950504901e+02 2.950504901e+02 1.30 2.723909260e+02 2.723909260e+02 1.32 2.514819612e+02 2.514819612e+02 1.34 2.321769036e+02 2.321769036e+02 1.36 2.143437882e+02 2.143437882e+02 1.38 1.978644699e+02 1.978644699e+02 1.40 1.826327736e+02 1.826327736e+02 1.42 1.685523456e+02 1.685523456e+02 1.44 1.555346077e+02 1.555346077e+02 1.46 1.434970969e+02 1.434970969e+02 1.48 1.323625106e+02 1.323625106e+02 1.50 1.220585232e+02 1.220585232e+02 1.52 1.125180396e+02 1.125180396e+02 1.54 1.036794654e+02 1.036794654e+02 1.56 9.548680754e+01 9.548680754e+01 1.58 8.788956852e+01 8.788956852e+01 1.60 8.084238772e+01 8.084238772e+01 1.62 7.430442249e+01 7.430442249e+01 1.64 6.823859609e+01 6.823859609e+01 1.66 6.261090600e+01 6.261090600e+01 1.68 5.738993188e+01 5.738993188e+01 1.70 5.254928540e+01 5.254928540e+01 1.72 4.806530392e+01 4.806530392e+01 1.74 4.391230727e+01 4.391230727e+01 1.76 4.006639162e+01 4.006639162e+01 1.78 3.650639918e+01 3.650639918e+01 1.80 3.321397664e+01 3.321397664e+01 1.82 3.016999180e+01 3.016999180e+01 1.84 2.735665150e+01 2.735665150e+01 1.86 2.475748364e+01 2.475748364e+01 1.88 2.235719152e+01 2.235719152e+01 1.90 2.014149865e+01 2.014149865e+01 1.92 1.809700508e+01 1.809700508e+01 1.94 1.621106785e+01 1.621106785e+01 1.96 1.447171351e+01 1.447171351e+01 1.98 1.286759055e+01 1.286759055e+01 2.00 1.138797083e+01 1.138797083e+01 2.02 1.002280326e+01 1.002280326e+01 2.04 8.762803855e+00 8.762803855e+00 2.06 7.599543360e+00 7.599543360e+00 2.08 6.525487899e+00 6.525487899e+00 2.10 5.533968263e+00 5.533968263e+00 2.12 4.619085346e+00 4.619085346e+00 2.14 3.775581285e+00 3.775581285e+00 2.16 2.998709189e+00 2.998709189e+00 2.18 2.284123509e+00 2.284123509e+00 2.20 1.627798029e+00 1.627798029e+00 2.22 1.025966858e+00 1.025966858e+00 2.24 4.750792324e-01 4.750792324e-01 2.26 -2.823917850e-02 -2.823917850e-02 2.28 -4.872205836e-01 -4.872205836e-01 2.30 -9.049821536e-01 -9.049821536e-01 2.32 -1.284516370e+00 -1.284516370e+00 2.34 -1.628595900e+00 -1.628595900e+00 2.36 -1.940209482e+00 -1.940209482e+00 2.38 -2.222219797e+00 -2.222219797e+00 2.40 -2.477241945e+00 -2.477241945e+00 2.42 -2.707614505e+00 -2.707614505e+00 2.44 -2.915350569e+00 -2.915350569e+00 2.46 -3.101826444e+00 -3.101826444e+00 2.48 -3.268148796e+00 -3.268148796e+00 2.50 -3.415436182e+00 -3.415436182e+00 2.52 -3.544809998e+00 -3.544809998e+00 2.54 -3.657390697e+00 -3.657390697e+00 2.56 -3.754298247e+00 -3.754298247e+00 2.58 -3.836652008e+00 -3.836652008e+00 2.60 -3.905565603e+00 -3.905565603e+00 2.62 -3.962133838e+00 -3.962133838e+00 2.64 -4.007411827e+00 -4.007411827e+00 2.66 -4.042390409e+00 -4.042390409e+00 2.68 -4.067974702e+00 -4.067974702e+00 2.70 -4.084972301e+00 -4.084972301e+00 2.72 -4.094094266e+00 -4.094094266e+00 2.74 -4.095967681e+00 -4.095967681e+00 2.76 -4.091158516e+00 -4.091158516e+00 2.78 -4.080184491e+00 -4.080184491e+00 2.80 -4.063536322e+00 -4.063536322e+00 2.82 -4.041693809e+00 -4.041693809e+00 2.84 -4.015131251e+00 -4.015131251e+00 2.86 -3.984316647e+00 -3.984316647e+00 2.88 -3.949706155e+00 -3.949706155e+00 2.90 -3.911735901e+00 -3.911735901e+00 2.92 -3.870797873e+00 -3.870797873e+00 2.94 -3.827152508e+00 -3.827152508e+00 2.96 -3.781089772e+00 -3.781089772e+00 2.98 -3.732899843e+00 -3.732899843e+00 3.00 -3.682547563e+00 -3.682547563e+00 3.02 -3.630001094e+00 -3.630001094e+00 3.04 -3.575244089e+00 -3.575244089e+00 3.06 -3.518274422e+00 -3.518274422e+00 3.08 -3.459103067e+00 -3.459103067e+00 3.10 -3.397752985e+00 -3.397752985e+00 3.12 -3.334261537e+00 -3.334261537e+00 3.14 -3.268693845e+00 -3.268693845e+00 3.16 -3.201131864e+00 -3.201131864e+00 3.18 -3.131673129e+00 -3.131673129e+00 3.20 -3.060438055e+00 -3.060438055e+00 3.22 -2.987577707e+00 -2.987577707e+00 3.24 -2.913280448e+00 -2.913280448e+00 3.26 -2.837775836e+00 -2.837775836e+00 3.28 -2.761334443e+00 -2.761334443e+00 3.30 -2.684262864e+00 -2.684262864e+00 3.32 -2.606893939e+00 -2.606893939e+00 3.34 -2.529572966e+00 -2.529572966e+00 3.36 -2.452641435e+00 -2.452641435e+00 3.38 -2.376420157e+00 -2.376420157e+00 3.40 -2.301193822e+00 -2.301193822e+00 3.42 -2.227198686e+00 -2.227198686e+00 3.44 -2.154614556e+00 -2.154614556e+00 3.46 -2.083561502e+00 -2.083561502e+00 3.48 -2.014101092e+00 -2.014101092e+00 3.50 -1.946241409e+00 -1.946241409e+00 3.52 -1.879944830e+00 -1.879944830e+00 3.54 -1.815137508e+00 -1.815137508e+00 3.56 -1.751719608e+00 -1.751719608e+00 3.58 -1.689575558e+00 -1.689575558e+00 3.60 -1.628583819e+00 -1.628583819e+00 3.62 -1.568625881e+00 -1.568625881e+00 3.64 -1.509594334e+00 -1.509594334e+00 3.66 -1.451399903e+00 -1.451399903e+00 3.68 -1.393977392e+00 -1.393977392e+00 3.70 -1.337290380e+00 -1.337290380e+00 3.72 -1.281334519e+00 -1.281334519e+00 3.74 -1.226139181e+00 -1.226139181e+00 3.76 -1.171767252e+00 -1.171767252e+00 3.78 -1.118312880e+00 -1.118312880e+00 3.80 -1.065897151e+00 -1.065897151e+00 3.82 -1.014661812e+00 -1.014661812e+00 3.84 -9.647613899e-01 -9.647613899e-01 3.86 -9.163542820e-01 -9.163542820e-01 3.88 -8.695935075e-01 -8.695935075e-01 3.90 -8.246179220e-01 -8.246179220e-01 3.92 -7.815446232e-01 -7.815446232e-01 3.94 -7.404631470e-01 -7.404631470e-01 3.96 -7.014318103e-01 -7.014318103e-01 3.98 -6.644763236e-01 -6.644763236e-01 4.00 -6.295905234e-01 -6.295905234e-01 4.02 -5.967388996e-01 -5.967388996e-01 4.04 -5.658604642e-01 -5.658604642e-01 4.06 -5.368734689e-01 -5.368734689e-01 4.08 -5.096805041e-01 -5.096805041e-01 4.10 -4.841735800e-01 -4.841735800e-01 4.12 -4.602389059e-01 -4.602389059e-01 4.14 -4.377611233e-01 -4.377611233e-01 4.16 -4.166269335e-01 -4.166269335e-01 4.18 -3.967280274e-01 -3.967280274e-01 4.20 -3.779633295e-01 -3.779633295e-01 4.22 -3.602405740e-01 -3.602405740e-01 4.24 -3.434772455e-01 -3.434772455e-01 4.26 -3.276009204e-01 -3.276009204e-01 4.28 -3.125490561e-01 -3.125490561e-01 4.30 -2.982682844e-01 -2.982682844e-01 4.32 -2.847132885e-01 -2.847132885e-01 4.34 -2.718453700e-01 -2.718453700e-01 4.36 -2.596308361e-01 -2.596308361e-01 4.38 -2.480393549e-01 -2.480393549e-01 4.40 -2.370424254e-01 -2.370424254e-01 4.42 -2.266120907e-01 -2.266120907e-01 4.44 -2.167199744e-01 -2.167199744e-01 4.46 -2.073366888e-01 -2.073366888e-01 4.48 -1.984315985e-01 -1.984315985e-01 4.50 -1.899728858e-01 -1.899728858e-01 4.52 -1.819274351e-01 -1.819274351e-01 4.54 -1.742620079e-01 -1.742620079e-01 4.56 -1.669438623e-01 -1.669438623e-01 4.58 -1.599405421e-01 -1.599405421e-01 4.60 -1.532203970e-01 -1.532203970e-01 4.62 -1.467530052e-01 -1.467530052e-01 4.64 -1.405095030e-01 -1.405095030e-01 4.66 -1.344628344e-01 -1.344628344e-01 4.68 -1.285879437e-01 -1.285879437e-01 4.70 -1.228619331e-01 -1.228619331e-01 4.72 -1.172642069e-01 -1.172642069e-01 4.74 -1.117766182e-01 -1.117766182e-01 4.76 -1.063836319e-01 -1.063836319e-01 4.78 -1.010725052e-01 -1.010725052e-01 4.80 -9.583348372e-02 -9.583348372e-02 4.82 -9.066000687e-02 -9.066000687e-02 4.84 -8.554888491e-02 -8.554888491e-02 4.86 -8.050044588e-02 -8.050044588e-02 4.88 -7.551860027e-02 -7.551860027e-02 4.90 -7.061079728e-02 -7.061079728e-02 4.92 -6.578783912e-02 -6.578783912e-02 4.94 -6.106352925e-02 -6.106352925e-02 4.96 -5.645414368e-02 -5.645414368e-02 4.98 -5.197773257e-02 -5.197773257e-02 5.00 -4.765328149e-02 -4.765328149e-02 5.02 -4.349977620e-02 -4.349977620e-02 5.04 -3.953524223e-02 -3.953524223e-02 5.06 -3.577583123e-02 -3.577583123e-02 5.08 -3.223502356e-02 -3.223502356e-02 5.10 -2.892301202e-02 -2.892301202e-02 5.12 -2.584630330e-02 -2.584630330e-02 5.14 -2.300755601e-02 -2.300755601e-02 5.16 -2.040565176e-02 -2.040565176e-02 5.18 -1.803596710e-02 -1.803596710e-02 5.20 -1.589059002e-02 -1.589059002e-02 5.22 -1.395894617e-02 -1.395894617e-02 5.24 -1.222917432e-02 -1.222917432e-02 5.26 -1.068791383e-02 -1.068791383e-02 5.28 -9.320863365e-03 -9.320863365e-03 5.30 -8.113309150e-03 -8.113309150e-03 5.32 -7.050566514e-03 -7.050566514e-03 5.34 -6.118330298e-03 -6.118330298e-03 5.36 -5.302937347e-03 -5.302937347e-03 5.38 -4.591549421e-03 -4.591549421e-03 5.40 -3.972267709e-03 -3.972267709e-03 5.42 -3.434191173e-03 -3.434191173e-03 5.44 -2.967430751e-03 -2.967430751e-03 5.46 -2.563090445e-03 -2.563090445e-03 5.48 -2.213224828e-03 -2.213224828e-03 5.50 -1.910780908e-03 -1.910780908e-03 5.52 -1.649530705e-03 -1.649530705e-03 5.54 -1.423999389e-03 -1.423999389e-03 5.56 -1.229392625e-03 -1.229392625e-03 5.58 -1.061525692e-03 -1.061525692e-03 5.60 -9.167560824e-04 -9.167560824e-04 5.62 -7.919206837e-04 -7.919206837e-04 5.64 -6.842781044e-04 -6.842781044e-04 5.66 -5.914563677e-04 -5.914563677e-04 5.68 -5.114059389e-04 -5.114059389e-04 5.70 -4.423578810e-04 -4.423578810e-04 5.72 -3.827868248e-04 -3.827868248e-04 5.74 -3.313783800e-04 -3.313783800e-04 5.76 -2.870005850e-04 -2.870005850e-04 5.78 -2.486789914e-04 -2.486789914e-04 5.80 -2.155749897e-04 -2.155749897e-04 5.82 -1.869670044e-04 -1.869670044e-04 5.84 -1.622342146e-04 -1.622342146e-04 5.86 -1.408424885e-04 -1.408424885e-04 5.88 -1.223322466e-04 -1.223322466e-04 5.90 -1.063080049e-04 -1.063080049e-04 5.92 -9.242937233e-05 -9.242937233e-05 5.94 -8.040330821e-05 -8.040330821e-05 5.96 -6.997746619e-05 -6.997746619e-05 5.98 -6.093447587e-05 -6.093447587e-05 6.00 -5.308703130e-05 -5.308703130e-05