# 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 = Cu2PbZr # 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 2.507537784e+02 2.507537784e+02 1.30 2.331684540e+02 2.331684540e+02 1.32 2.168490114e+02 2.168490114e+02 1.34 2.017006734e+02 2.017006734e+02 1.36 1.876350636e+02 1.876350636e+02 1.38 1.745683837e+02 1.745683837e+02 1.40 1.624216389e+02 1.624216389e+02 1.42 1.511218239e+02 1.511218239e+02 1.44 1.406023926e+02 1.406023926e+02 1.46 1.308030759e+02 1.308030759e+02 1.48 1.216695341e+02 1.216695341e+02 1.50 1.131527559e+02 1.131527559e+02 1.52 1.052080456e+02 1.052080456e+02 1.54 9.779401393e+01 9.779401393e+01 1.56 9.087182851e+01 9.087182851e+01 1.58 8.440518987e+01 8.440518987e+01 1.60 7.836079450e+01 7.836079450e+01 1.62 7.270887369e+01 7.270887369e+01 1.64 6.742325830e+01 6.742325830e+01 1.66 6.248092355e+01 6.248092355e+01 1.68 5.786117008e+01 5.786117008e+01 1.70 5.354475688e+01 5.354475688e+01 1.72 4.951328814e+01 4.951328814e+01 1.74 4.574939054e+01 4.574939054e+01 1.76 4.223607980e+01 4.223607980e+01 1.78 3.895771360e+01 3.895771360e+01 1.80 3.590394717e+01 3.590394717e+01 1.82 3.306000826e+01 3.306000826e+01 1.84 3.041096657e+01 3.041096657e+01 1.86 2.794276905e+01 2.794276905e+01 1.88 2.564222676e+01 2.564222676e+01 1.90 2.349712256e+01 2.349712256e+01 1.92 2.149626022e+01 2.149626022e+01 1.94 1.962951183e+01 1.962951183e+01 1.96 1.788772248e+01 1.788772248e+01 1.98 1.626261533e+01 1.626261533e+01 2.00 1.474667883e+01 1.474667883e+01 2.02 1.333304006e+01 1.333304006e+01 2.04 1.201533826e+01 1.201533826e+01 2.06 1.078761374e+01 1.078761374e+01 2.08 9.644233421e+00 9.644233421e+00 2.10 8.579833727e+00 8.579833727e+00 2.12 7.589330339e+00 7.589330339e+00 2.14 6.667925354e+00 6.667925354e+00 2.16 5.811132200e+00 5.811132200e+00 2.18 5.014771129e+00 5.014771129e+00 2.20 4.274942790e+00 4.274942790e+00 2.22 3.587980901e+00 3.587980901e+00 2.24 2.950424034e+00 2.950424034e+00 2.26 2.359010748e+00 2.359010748e+00 2.28 1.810692744e+00 1.810692744e+00 2.30 1.302637158e+00 1.302637158e+00 2.32 8.321984164e-01 8.321984164e-01 2.34 3.969189183e-01 3.969189183e-01 2.36 -5.517070426e-03 -5.517070426e-03 2.38 -3.772895078e-01 -3.772895078e-01 2.40 -7.204422739e-01 -7.204422739e-01 2.42 -1.036883239e+00 -1.036883239e+00 2.44 -1.328382695e+00 -1.328382695e+00 2.46 -1.596613318e+00 -1.596613318e+00 2.48 -1.843159335e+00 -1.843159335e+00 2.50 -2.069399484e+00 -2.069399484e+00 2.52 -2.276642870e+00 -2.276642870e+00 2.54 -2.466129997e+00 -2.466129997e+00 2.56 -2.639020699e+00 -2.639020699e+00 2.58 -2.796386342e+00 -2.796386342e+00 2.60 -2.939212510e+00 -2.939212510e+00 2.62 -3.068388713e+00 -3.068388713e+00 2.64 -3.184641998e+00 -3.184641998e+00 2.66 -3.288647929e+00 -3.288647929e+00 2.68 -3.381108585e+00 -3.381108585e+00 2.70 -3.462749439e+00 -3.462749439e+00 2.72 -3.534310459e+00 -3.534310459e+00 2.74 -3.596528929e+00 -3.596528929e+00 2.76 -3.650117653e+00 -3.650117653e+00 2.78 -3.695741857e+00 -3.695741857e+00 2.80 -3.734012510e+00 -3.734012510e+00 2.82 -3.765466866e+00 -3.765466866e+00 2.84 -3.790581695e+00 -3.790581695e+00 2.86 -3.809781084e+00 -3.809781084e+00 2.88 -3.823450028e+00 -3.823450028e+00 2.90 -3.832082580e+00 -3.832082580e+00 2.92 -3.836243236e+00 -3.836243236e+00 2.94 -3.835997793e+00 -3.835997793e+00 2.96 -3.831435772e+00 -3.831435772e+00 2.98 -3.822690445e+00 -3.822690445e+00 3.00 -3.809929149e+00 -3.809929149e+00 3.02 -3.793343788e+00 -3.793343788e+00 3.04 -3.773140151e+00 -3.773140151e+00 3.06 -3.749537202e+00 -3.749537202e+00 3.08 -3.722748373e+00 -3.722748373e+00 3.10 -3.692997044e+00 -3.692997044e+00 3.12 -3.660518200e+00 -3.660518200e+00 3.14 -3.625539994e+00 -3.625539994e+00 3.16 -3.588262472e+00 -3.588262472e+00 3.18 -3.548869639e+00 -3.548869639e+00 3.20 -3.507527393e+00 -3.507527393e+00 3.22 -3.464385616e+00 -3.464385616e+00 3.24 -3.419581334e+00 -3.419581334e+00 3.26 -3.373242777e+00 -3.373242777e+00 3.28 -3.325493732e+00 -3.325493732e+00 3.30 -3.276459609e+00 -3.276459609e+00 3.32 -3.226295152e+00 -3.226295152e+00 3.34 -3.175109219e+00 -3.175109219e+00 3.36 -3.122999680e+00 -3.122999680e+00 3.38 -3.070067907e+00 -3.070067907e+00 3.40 -3.016414260e+00 -3.016414260e+00 3.42 -2.962140898e+00 -2.962140898e+00 3.44 -2.907342912e+00 -2.907342912e+00 3.46 -2.852113737e+00 -2.852113737e+00 3.48 -2.796543263e+00 -2.796543263e+00 3.50 -2.740712648e+00 -2.740712648e+00 3.52 -2.684695086e+00 -2.684695086e+00 3.54 -2.628560756e+00 -2.628560756e+00 3.56 -2.572375772e+00 -2.572375772e+00 3.58 -2.516201248e+00 -2.516201248e+00 3.60 -2.460092824e+00 -2.460092824e+00 3.62 -2.404100771e+00 -2.404100771e+00 3.64 -2.348270741e+00 -2.348270741e+00 3.66 -2.292645137e+00 -2.292645137e+00 3.68 -2.237265020e+00 -2.237265020e+00 3.70 -2.182172430e+00 -2.182172430e+00 3.72 -2.127412911e+00 -2.127412911e+00 3.74 -2.073038021e+00 -2.073038021e+00 3.76 -2.019107519e+00 -2.019107519e+00 3.78 -1.965690914e+00 -1.965690914e+00 3.80 -1.912868010e+00 -1.912868010e+00 3.82 -1.860728126e+00 -1.860728126e+00 3.84 -1.809367770e+00 -1.809367770e+00 3.86 -1.758886742e+00 -1.758886742e+00 3.88 -1.709382930e+00 -1.709382930e+00 3.90 -1.660946373e+00 -1.660946373e+00 3.92 -1.613651608e+00 -1.613651608e+00 3.94 -1.567560299e+00 -1.567560299e+00 3.96 -1.522706183e+00 -1.522706183e+00 3.98 -1.479102305e+00 -1.479102305e+00 4.00 -1.436739760e+00 -1.436739760e+00 4.02 -1.395590324e+00 -1.395590324e+00 4.04 -1.355610147e+00 -1.355610147e+00 4.06 -1.316743864e+00 -1.316743864e+00 4.08 -1.278928586e+00 -1.278928586e+00 4.10 -1.242092779e+00 -1.242092779e+00 4.12 -1.206178542e+00 -1.206178542e+00 4.14 -1.171113234e+00 -1.171113234e+00 4.16 -1.136832684e+00 -1.136832684e+00 4.18 -1.103276733e+00 -1.103276733e+00 4.20 -1.070390251e+00 -1.070390251e+00 4.22 -1.038124035e+00 -1.038124035e+00 4.24 -1.006435688e+00 -1.006435688e+00 4.26 -9.752905320e-01 -9.752905320e-01 4.28 -9.446625563e-01 -9.446625563e-01 4.30 -9.145353427e-01 -9.145353427e-01 4.32 -8.849028726e-01 -8.849028726e-01 4.34 -8.557700691e-01 -8.557700691e-01 4.36 -8.271529137e-01 -8.271529137e-01 4.38 -7.990779804e-01 -7.990779804e-01 4.40 -7.715812690e-01 -7.715812690e-01 4.42 -7.447062934e-01 -7.447062934e-01 4.44 -7.185014830e-01 -7.185014830e-01 4.46 -6.930170627e-01 -6.930170627e-01 4.48 -6.683016792e-01 -6.683016792e-01 4.50 -6.443990991e-01 -6.443990991e-01 4.52 -6.213453110e-01 -6.213453110e-01 4.54 -5.991663147e-01 -5.991663147e-01 4.56 -5.778767743e-01 -5.778767743e-01 4.58 -5.574795966e-01 -5.574795966e-01 4.60 -5.379663660e-01 -5.379663660e-01 4.62 -5.193184804e-01 -5.193184804e-01 4.64 -5.015087708e-01 -5.015087708e-01 4.66 -4.845033785e-01 -4.845033785e-01 4.68 -4.682636835e-01 -4.682636835e-01 4.70 -4.527481222e-01 -4.527481222e-01 4.72 -4.379137836e-01 -4.379137836e-01 4.74 -4.237177255e-01 -4.237177255e-01 4.76 -4.101179939e-01 -4.101179939e-01 4.78 -3.970743585e-01 -3.970743585e-01 4.80 -3.845449072e-01 -3.845449072e-01 4.82 -3.725025403e-01 -3.725025403e-01 4.84 -3.609096689e-01 -3.609096689e-01 4.86 -3.497359720e-01 -3.497359720e-01 4.88 -3.389536260e-01 -3.389536260e-01 4.90 -3.285371590e-01 -3.285371590e-01 4.92 -3.184632743e-01 -3.184632743e-01 4.94 -3.087106618e-01 -3.087106618e-01 4.96 -2.992598113e-01 -2.992598113e-01 4.98 -2.900928354e-01 -2.900928354e-01 5.00 -2.811933091e-01 -2.811933091e-01 5.02 -2.725461292e-01 -2.725461292e-01 5.04 -2.641373961e-01 -2.641373961e-01 5.06 -2.559543160e-01 -2.559543160e-01 5.08 -2.479851250e-01 -2.479851250e-01 5.10 -2.402190312e-01 -2.402190312e-01 5.12 -2.326461737e-01 -2.326461737e-01 5.14 -2.252575944e-01 -2.252575944e-01 5.16 -2.180452202e-01 -2.180452202e-01 5.18 -2.110018518e-01 -2.110018518e-01 5.20 -2.041211565e-01 -2.041211565e-01 5.22 -1.973976625e-01 -1.973976625e-01 5.24 -1.908267548e-01 -1.908267548e-01 5.26 -1.844046617e-01 -1.844046617e-01 5.28 -1.781283687e-01 -1.781283687e-01 5.30 -1.719958104e-01 -1.719958104e-01 5.32 -1.660057901e-01 -1.660057901e-01 5.34 -1.601579271e-01 -1.601579271e-01 5.36 -1.544526359e-01 -1.544526359e-01 5.38 -1.488910891e-01 -1.488910891e-01 5.40 -1.434751538e-01 -1.434751538e-01 5.42 -1.382072919e-01 -1.382072919e-01 5.44 -1.330904142e-01 -1.330904142e-01 5.46 -1.281276869e-01 -1.281276869e-01 5.48 -1.233222930e-01 -1.233222930e-01 5.50 -1.186771574e-01 -1.186771574e-01 5.52 -1.141946607e-01 -1.141946607e-01 5.54 -1.098763619e-01 -1.098763619e-01 5.56 -1.057227573e-01 -1.057227573e-01 5.58 -1.017330989e-01 -1.017330989e-01 5.60 -9.790496576e-02 -9.790496576e-02 5.62 -9.423471730e-02 -9.423471730e-02 5.64 -9.071789029e-02 -9.071789029e-02 5.66 -8.734873110e-02 -8.734873110e-02 5.68 -8.412040004e-02 -8.412040004e-02 5.70 -8.102521097e-02 -8.102521097e-02 5.72 -7.805488191e-02 -7.805488191e-02 5.74 -7.520077851e-02 -7.520077851e-02 5.76 -7.245413666e-02 -7.245413666e-02 5.78 -6.980625604e-02 -6.980625604e-02 5.80 -6.724866075e-02 -6.724866075e-02 5.82 -6.477322682e-02 -6.477322682e-02 5.84 -6.237227918e-02 -6.237227918e-02 5.86 -6.003866187e-02 -6.003866187e-02 5.88 -5.776578618e-02 -5.776578618e-02 5.90 -5.554766110e-02 -5.554766110e-02 5.92 -5.337891030e-02 -5.337891030e-02 5.94 -5.125477893e-02 -5.125477893e-02 5.96 -4.917113299e-02 -4.917113299e-02 5.98 -4.712445333e-02 -4.712445333e-02 6.00 -4.511182583e-02 -4.511182583e-02