# 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 = AlPt2Zr # 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 3.622013652e+02 3.622013652e+02 1.30 3.392014982e+02 3.392014982e+02 1.32 3.176909098e+02 3.176909098e+02 1.34 2.975589437e+02 2.975589437e+02 1.36 2.787054080e+02 2.787054080e+02 1.38 2.610370204e+02 2.610370204e+02 1.40 2.444671530e+02 2.444671530e+02 1.42 2.289189949e+02 2.289189949e+02 1.44 2.143261913e+02 2.143261913e+02 1.46 2.006297008e+02 2.006297008e+02 1.48 1.877747562e+02 1.877747562e+02 1.50 1.757093565e+02 1.757093565e+02 1.52 1.643829029e+02 1.643829029e+02 1.54 1.537447376e+02 1.537447376e+02 1.56 1.437438112e+02 1.437438112e+02 1.58 1.343291623e+02 1.343291623e+02 1.60 1.254512930e+02 1.254512930e+02 1.62 1.170641364e+02 1.170641364e+02 1.64 1.091274446e+02 1.091274446e+02 1.66 1.016084580e+02 1.016084580e+02 1.68 9.448220443e+01 9.448220443e+01 1.70 8.772993473e+01 8.772993473e+01 1.72 8.133632764e+01 8.133632764e+01 1.74 7.528637301e+01 7.528637301e+01 1.76 6.956302242e+01 6.956302242e+01 1.78 6.414639401e+01 6.414639401e+01 1.80 5.901488125e+01 5.901488125e+01 1.82 5.414731980e+01 5.414731980e+01 1.84 4.952576303e+01 4.952576303e+01 1.86 4.513624334e+01 4.513624334e+01 1.88 4.099519114e+01 4.099519114e+01 1.90 3.716848014e+01 3.716848014e+01 1.92 3.364187684e+01 3.364187684e+01 1.94 3.039388174e+01 3.039388174e+01 1.96 2.740274862e+01 2.740274862e+01 1.98 2.464745465e+01 2.464745465e+01 2.00 2.210854291e+01 2.210854291e+01 2.02 1.976842809e+01 1.976842809e+01 2.04 1.761128074e+01 1.761128074e+01 2.06 1.562279099e+01 1.562279099e+01 2.08 1.378997892e+01 1.378997892e+01 2.10 1.210105820e+01 1.210105820e+01 2.12 1.054522370e+01 1.054522370e+01 2.14 9.112441194e+00 9.112441194e+00 2.16 7.793257515e+00 7.793257515e+00 2.18 6.578726716e+00 6.578726716e+00 2.20 5.460460756e+00 5.460460756e+00 2.22 4.430717766e+00 4.430717766e+00 2.24 3.482476331e+00 3.482476331e+00 2.26 2.609459625e+00 2.609459625e+00 2.28 1.806108651e+00 1.806108651e+00 2.30 1.067528212e+00 1.067528212e+00 2.32 3.894134036e-01 3.894134036e-01 2.34 -2.320604995e-01 -2.320604995e-01 2.36 -8.003227955e-01 -8.003227955e-01 2.38 -1.318507611e+00 -1.318507611e+00 2.40 -1.789544018e+00 -1.789544018e+00 2.42 -2.216241488e+00 -2.216241488e+00 2.44 -2.601355563e+00 -2.601355563e+00 2.46 -2.947641980e+00 -2.947641980e+00 2.48 -3.257881480e+00 -3.257881480e+00 2.50 -3.534878587e+00 -3.534878587e+00 2.52 -3.781435731e+00 -3.781435731e+00 2.54 -4.000307226e+00 -4.000307226e+00 2.56 -4.194139754e+00 -4.194139754e+00 2.58 -4.365409822e+00 -4.365409822e+00 2.60 -4.516371594e+00 -4.516371594e+00 2.62 -4.649024790e+00 -4.649024790e+00 2.64 -4.765112328e+00 -4.765112328e+00 2.66 -4.866169125e+00 -4.866169125e+00 2.68 -4.953465457e+00 -4.953465457e+00 2.70 -5.028026998e+00 -5.028026998e+00 2.72 -5.091489912e+00 -5.091489912e+00 2.74 -5.146089641e+00 -5.146089641e+00 2.76 -5.192017410e+00 -5.192017410e+00 2.78 -5.229399746e+00 -5.229399746e+00 2.80 -5.258387639e+00 -5.258387639e+00 2.82 -5.279146774e+00 -5.279146774e+00 2.84 -5.291857227e+00 -5.291857227e+00 2.86 -5.296662747e+00 -5.296662747e+00 2.88 -5.293734831e+00 -5.293734831e+00 2.90 -5.283316664e+00 -5.283316664e+00 2.92 -5.265733782e+00 -5.265733782e+00 2.94 -5.241401337e+00 -5.241401337e+00 2.96 -5.210823483e+00 -5.210823483e+00 2.98 -5.174581225e+00 -5.174581225e+00 3.00 -5.133307839e+00 -5.133307839e+00 3.02 -5.087660499e+00 -5.087660499e+00 3.04 -5.038731014e+00 -5.038731014e+00 3.06 -4.987228138e+00 -4.987228138e+00 3.08 -4.933440572e+00 -4.933440572e+00 3.10 -4.877600924e+00 -4.877600924e+00 3.12 -4.819881304e+00 -4.819881304e+00 3.14 -4.760412619e+00 -4.760412619e+00 3.16 -4.699279593e+00 -4.699279593e+00 3.18 -4.636547123e+00 -4.636547123e+00 3.20 -4.572269955e+00 -4.572269955e+00 3.22 -4.506506434e+00 -4.506506434e+00 3.24 -4.439332805e+00 -4.439332805e+00 3.26 -4.370840993e+00 -4.370840993e+00 3.28 -4.301140805e+00 -4.301140805e+00 3.30 -4.230360471e+00 -4.230360471e+00 3.32 -4.158643289e+00 -4.158643289e+00 3.34 -4.086141040e+00 -4.086141040e+00 3.36 -4.013005785e+00 -4.013005785e+00 3.38 -3.939382157e+00 -3.939382157e+00 3.40 -3.865401183e+00 -3.865401183e+00 3.42 -3.791181411e+00 -3.791181411e+00 3.44 -3.716824325e+00 -3.716824325e+00 3.46 -3.642420670e+00 -3.642420670e+00 3.48 -3.568052566e+00 -3.568052566e+00 3.50 -3.493796183e+00 -3.493796183e+00 3.52 -3.419723372e+00 -3.419723372e+00 3.54 -3.345902174e+00 -3.345902174e+00 3.56 -3.272396364e+00 -3.272396364e+00 3.58 -3.199264381e+00 -3.199264381e+00 3.60 -3.126557970e+00 -3.126557970e+00 3.62 -3.054320845e+00 -3.054320845e+00 3.64 -2.982587610e+00 -2.982587610e+00 3.66 -2.911383105e+00 -2.911383105e+00 3.68 -2.840722291e+00 -2.840722291e+00 3.70 -2.770616124e+00 -2.770616124e+00 3.72 -2.701115533e+00 -2.701115533e+00 3.74 -2.632282871e+00 -2.632282871e+00 3.76 -2.564165033e+00 -2.564165033e+00 3.78 -2.496797281e+00 -2.496797281e+00 3.80 -2.430207210e+00 -2.430207210e+00 3.82 -2.364418218e+00 -2.364418218e+00 3.84 -2.299452163e+00 -2.299452163e+00 3.86 -2.235330906e+00 -2.235330906e+00 3.88 -2.172076654e+00 -2.172076654e+00 3.90 -2.109711221e+00 -2.109711221e+00 3.92 -2.048253402e+00 -2.048253402e+00 3.94 -1.987722391e+00 -1.987722391e+00 3.96 -1.928128717e+00 -1.928128717e+00 3.98 -1.869479529e+00 -1.869479529e+00 4.00 -1.811777903e+00 -1.811777903e+00 4.02 -1.755024653e+00 -1.755024653e+00 4.04 -1.699220889e+00 -1.699220889e+00 4.06 -1.644370907e+00 -1.644370907e+00 4.08 -1.590484976e+00 -1.590484976e+00 4.10 -1.537577922e+00 -1.537577922e+00 4.12 -1.485686066e+00 -1.485686066e+00 4.14 -1.434842949e+00 -1.434842949e+00 4.16 -1.385095867e+00 -1.385095867e+00 4.18 -1.336499148e+00 -1.336499148e+00 4.20 -1.289111116e+00 -1.289111116e+00 4.22 -1.242990383e+00 -1.242990383e+00 4.24 -1.198191893e+00 -1.198191893e+00 4.26 -1.154763141e+00 -1.154763141e+00 4.28 -1.112740943e+00 -1.112740943e+00 4.30 -1.072148984e+00 -1.072148984e+00 4.32 -1.032996260e+00 -1.032996260e+00 4.34 -9.952763636e-01 -9.952763636e-01 4.36 -9.589675177e-01 -9.589675177e-01 4.38 -9.240331987e-01 -9.240331987e-01 4.40 -8.904232268e-01 -8.904232268e-01 4.42 -8.580752061e-01 -8.580752061e-01 4.44 -8.269162316e-01 -8.269162316e-01 4.46 -7.968647898e-01 -7.968647898e-01 4.48 -7.678327829e-01 -7.678327829e-01 4.50 -7.397276136e-01 -7.397276136e-01 4.52 -7.124542695e-01 -7.124542695e-01 4.54 -6.859173679e-01 -6.859173679e-01 4.56 -6.600231373e-01 -6.600231373e-01 4.58 -6.346813378e-01 -6.346813378e-01 4.60 -6.098071375e-01 -6.098071375e-01 4.62 -5.853229717e-01 -5.853229717e-01 4.64 -5.611604032e-01 -5.611604032e-01 4.66 -5.372619869e-01 -5.372619869e-01 4.68 -5.135831059e-01 -5.135831059e-01 4.70 -4.900937107e-01 -4.900937107e-01 4.72 -4.667798433e-01 -4.667798433e-01 4.74 -4.436447945e-01 -4.436447945e-01 4.76 -4.207097108e-01 -4.207097108e-01 4.78 -3.980134678e-01 -3.980134678e-01 4.80 -3.756085963e-01 -3.756085963e-01 4.82 -3.535720158e-01 -3.535720158e-01 4.84 -3.319820865e-01 -3.319820865e-01 4.86 -3.109287034e-01 -3.109287034e-01 4.88 -2.905051265e-01 -2.905051265e-01 4.90 -2.708031790e-01 -2.708031790e-01 4.92 -2.519085216e-01 -2.519085216e-01 4.94 -2.338963945e-01 -2.338963945e-01 4.96 -2.168281598e-01 -2.168281598e-01 4.98 -2.007488795e-01 -2.007488795e-01 5.00 -1.856860397e-01 -1.856860397e-01 5.02 -1.716494033e-01 -1.716494033e-01 5.04 -1.586318645e-01 -1.586318645e-01 5.06 -1.466111021e-01 -1.466111021e-01 5.08 -1.355517915e-01 -1.355517915e-01 5.10 -1.254081296e-01 -1.254081296e-01 5.12 -1.161264542e-01 -1.161264542e-01 5.14 -1.076477770e-01 -1.076477770e-01 5.16 -9.991010382e-02 -9.991010382e-02 5.18 -9.285045674e-02 -9.285045674e-02 5.20 -8.640656144e-02 -8.640656144e-02 5.22 -8.051819610e-02 -8.051819610e-02 5.24 -7.512821906e-02 -7.512821906e-02 5.26 -7.018325601e-02 -7.018325601e-02 5.28 -6.563409389e-02 -6.563409389e-02 5.30 -6.143650998e-02 -6.143650998e-02 5.32 -5.755097253e-02 -5.755097253e-02 5.34 -5.394261439e-02 -5.394261439e-02 5.36 -5.058115491e-02 -5.058115491e-02 5.38 -4.744071938e-02 -4.744071938e-02 5.40 -4.449957282e-02 -4.449957282e-02 5.42 -4.173978258e-02 -4.173978258e-02 5.44 -3.914681189e-02 -3.914681189e-02 5.46 -3.670906173e-02 -3.670906173e-02 5.48 -3.441737419e-02 -3.441737419e-02 5.50 -3.226451276e-02 -3.226451276e-02 5.52 -3.024464607e-02 -3.024464607e-02 5.54 -2.835286533e-02 -2.835286533e-02 5.56 -2.658475082e-02 -2.658475082e-02 5.58 -2.493601203e-02 -2.493601203e-02 5.60 -2.340220844e-02 -2.340220844e-02 5.62 -2.197839783e-02 -2.197839783e-02 5.64 -2.065945346e-02 -2.065945346e-02 5.66 -1.943990218e-02 -1.943990218e-02 5.68 -1.831384704e-02 -1.831384704e-02 5.70 -1.727507189e-02 -1.727507189e-02 5.72 -1.631716767e-02 -1.631716767e-02 5.74 -1.543366378e-02 -1.543366378e-02 5.76 -1.461815199e-02 -1.461815199e-02 5.78 -1.386439413e-02 -1.386439413e-02 5.80 -1.316640910e-02 -1.316640910e-02 5.82 -1.251853761e-02 -1.251853761e-02 5.84 -1.191548565e-02 -1.191548565e-02 5.86 -1.135234909e-02 -1.135234909e-02 5.88 -1.082462263e-02 -1.082462263e-02 5.90 -1.032819663e-02 -1.032819663e-02 5.92 -9.859345234e-03 -9.859345234e-03 5.94 -9.414708797e-03 -9.414708797e-03 5.96 -8.991273270e-03 -8.991273270e-03 5.98 -8.586348542e-03 -8.586348542e-03 6.00 -8.197547405e-03 -8.197547405e-03