# 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 = Au2PbPd # 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 4.046491842e+02 4.046491842e+02 1.30 3.768445512e+02 3.768445512e+02 1.32 3.510086294e+02 3.510086294e+02 1.34 3.269854835e+02 3.269854835e+02 1.36 3.046329955e+02 3.046329955e+02 1.38 2.838220462e+02 2.838220462e+02 1.40 2.644358518e+02 2.644358518e+02 1.42 2.463686363e+02 2.463686363e+02 1.44 2.295240396e+02 2.295240396e+02 1.46 2.138138431e+02 2.138138431e+02 1.48 1.991567954e+02 1.991567954e+02 1.50 1.854773141e+02 1.854773141e+02 1.52 1.727044801e+02 1.727044801e+02 1.54 1.607717630e+02 1.607717630e+02 1.56 1.496172683e+02 1.496172683e+02 1.58 1.391840070e+02 1.391840070e+02 1.60 1.294199042e+02 1.294199042e+02 1.62 1.202775085e+02 1.202775085e+02 1.64 1.117135124e+02 1.117135124e+02 1.66 1.036882559e+02 1.036882559e+02 1.68 9.616527838e+01 9.616527838e+01 1.70 8.911086501e+01 8.911086501e+01 1.72 8.249364736e+01 8.249364736e+01 1.74 7.629227350e+01 7.629227350e+01 1.76 7.049870972e+01 7.049870972e+01 1.78 6.510339870e+01 6.510339870e+01 1.80 6.008452062e+01 6.008452062e+01 1.82 5.541537557e+01 5.541537557e+01 1.84 5.107128509e+01 5.107128509e+01 1.86 4.702950893e+01 4.702950893e+01 1.88 4.326918293e+01 4.326918293e+01 1.90 3.977119142e+01 3.977119142e+01 1.92 3.651797159e+01 3.651797159e+01 1.94 3.349327712e+01 3.349327712e+01 1.96 3.068196095e+01 3.068196095e+01 1.98 2.806979716e+01 2.806979716e+01 2.00 2.564336135e+01 2.564336135e+01 2.02 2.338996663e+01 2.338996663e+01 2.04 2.129763822e+01 2.129763822e+01 2.06 1.935511181e+01 1.935511181e+01 2.08 1.755184147e+01 1.755184147e+01 2.10 1.587800541e+01 1.587800541e+01 2.12 1.432449950e+01 1.432449950e+01 2.14 1.288291658e+01 1.288291658e+01 2.16 1.154550633e+01 1.154550633e+01 2.18 1.030512235e+01 1.030512235e+01 2.20 9.155161737e+00 9.155161737e+00 2.22 8.089511165e+00 8.089511165e+00 2.24 7.102501308e+00 7.102501308e+00 2.26 6.188871090e+00 6.188871090e+00 2.28 5.343736795e+00 5.343736795e+00 2.30 4.562563620e+00 4.562563620e+00 2.32 3.841136388e+00 3.841136388e+00 2.34 3.175528843e+00 3.175528843e+00 2.36 2.562075834e+00 2.562075834e+00 2.38 1.997347033e+00 1.997347033e+00 2.40 1.478124422e+00 1.478124422e+00 2.42 1.001383644e+00 1.001383644e+00 2.44 5.642775954e-01 5.642775954e-01 2.46 1.641225741e-01 1.641225741e-01 2.48 -2.016143291e-01 -2.016143291e-01 2.50 -5.353256880e-01 -5.353256880e-01 2.52 -8.392713797e-01 -8.392713797e-01 2.54 -1.115583361e+00 -1.115583361e+00 2.56 -1.366268655e+00 -1.366268655e+00 2.58 -1.593212007e+00 -1.593212007e+00 2.60 -1.798178823e+00 -1.798178823e+00 2.62 -1.982817483e+00 -1.982817483e+00 2.64 -2.148661338e+00 -2.148661338e+00 2.66 -2.297127151e+00 -2.297127151e+00 2.68 -2.429516243e+00 -2.429516243e+00 2.70 -2.547016886e+00 -2.547016886e+00 2.72 -2.650731023e+00 -2.650731023e+00 2.74 -2.742040250e+00 -2.742040250e+00 2.76 -2.821809897e+00 -2.821809897e+00 2.78 -2.890570751e+00 -2.890570751e+00 2.80 -2.948860917e+00 -2.948860917e+00 2.82 -2.997222306e+00 -2.997222306e+00 2.84 -3.036199806e+00 -3.036199806e+00 2.86 -3.066340570e+00 -3.066340570e+00 2.88 -3.088193947e+00 -3.088193947e+00 2.90 -3.102320105e+00 -3.102320105e+00 2.92 -3.109304419e+00 -3.109304419e+00 2.94 -3.109725427e+00 -3.109725427e+00 2.96 -3.104146167e+00 -3.104146167e+00 2.98 -3.093110893e+00 -3.093110893e+00 3.00 -3.077142536e+00 -3.077142536e+00 3.02 -3.056741237e+00 -3.056741237e+00 3.04 -3.032382901e+00 -3.032382901e+00 3.06 -3.004520850e+00 -3.004520850e+00 3.08 -2.973579557e+00 -2.973579557e+00 3.10 -2.939954777e+00 -2.939954777e+00 3.12 -2.904009023e+00 -2.904009023e+00 3.14 -2.866071591e+00 -2.866071591e+00 3.16 -2.826434141e+00 -2.826434141e+00 3.18 -2.785354420e+00 -2.785354420e+00 3.20 -2.743063382e+00 -2.743063382e+00 3.22 -2.699789647e+00 -2.699789647e+00 3.24 -2.655678223e+00 -2.655678223e+00 3.26 -2.610847170e+00 -2.610847170e+00 3.28 -2.565402936e+00 -2.565402936e+00 3.30 -2.519442263e+00 -2.519442263e+00 3.32 -2.473054220e+00 -2.473054220e+00 3.34 -2.426322229e+00 -2.426322229e+00 3.36 -2.379325758e+00 -2.379325758e+00 3.38 -2.332138118e+00 -2.332138118e+00 3.40 -2.284823099e+00 -2.284823099e+00 3.42 -2.237445126e+00 -2.237445126e+00 3.44 -2.190068985e+00 -2.190068985e+00 3.46 -2.142759607e+00 -2.142759607e+00 3.48 -2.095580907e+00 -2.095580907e+00 3.50 -2.048594771e+00 -2.048594771e+00 3.52 -2.001860153e+00 -2.001860153e+00 3.54 -1.955432333e+00 -1.955432333e+00 3.56 -1.909362410e+00 -1.909362410e+00 3.58 -1.863697019e+00 -1.863697019e+00 3.60 -1.818478279e+00 -1.818478279e+00 3.62 -1.773743932e+00 -1.773743932e+00 3.64 -1.729527623e+00 -1.729527623e+00 3.66 -1.685859245e+00 -1.685859245e+00 3.68 -1.642765282e+00 -1.642765282e+00 3.70 -1.600269074e+00 -1.600269074e+00 3.72 -1.558390933e+00 -1.558390933e+00 3.74 -1.517148108e+00 -1.517148108e+00 3.76 -1.476554600e+00 -1.476554600e+00 3.78 -1.436620912e+00 -1.436620912e+00 3.80 -1.397353817e+00 -1.397353817e+00 3.82 -1.358756248e+00 -1.358756248e+00 3.84 -1.320827396e+00 -1.320827396e+00 3.86 -1.283563037e+00 -1.283563037e+00 3.88 -1.246956096e+00 -1.246956096e+00 3.90 -1.210997376e+00 -1.210997376e+00 3.92 -1.175676065e+00 -1.175676065e+00 3.94 -1.140982006e+00 -1.140982006e+00 3.96 -1.106904371e+00 -1.106904371e+00 3.98 -1.073434005e+00 -1.073434005e+00 4.00 -1.040563742e+00 -1.040563742e+00 4.02 -1.008289018e+00 -1.008289018e+00 4.04 -9.766083382e-01 -9.766083382e-01 4.06 -9.455235676e-01 -9.455235676e-01 4.08 -9.150400009e-01 -9.150400009e-01 4.10 -8.851651557e-01 -8.851651557e-01 4.12 -8.559126095e-01 -8.559126095e-01 4.14 -8.272945952e-01 -8.272945952e-01 4.16 -7.993258872e-01 -7.993258872e-01 4.18 -7.720216409e-01 -7.720216409e-01 4.20 -7.453965155e-01 -7.453965155e-01 4.22 -7.194639141e-01 -7.194639141e-01 4.24 -6.942353837e-01 -6.942353837e-01 4.26 -6.697201707e-01 -6.697201707e-01 4.28 -6.459248831e-01 -6.459248831e-01 4.30 -6.228531935e-01 -6.228531935e-01 4.32 -6.005055243e-01 -6.005055243e-01 4.34 -5.788786933e-01 -5.788786933e-01 4.36 -5.579655378e-01 -5.579655378e-01 4.38 -5.377545806e-01 -5.377545806e-01 4.40 -5.182298131e-01 -5.182298131e-01 4.42 -4.993706745e-01 -4.993706745e-01 4.44 -4.811522739e-01 -4.811522739e-01 4.46 -4.635458670e-01 -4.635458670e-01 4.48 -4.465195619e-01 -4.465195619e-01 4.50 -4.300391963e-01 -4.300391963e-01 4.52 -4.140693194e-01 -4.140693194e-01 4.54 -3.985742051e-01 -3.985742051e-01 4.56 -3.835188388e-01 -3.835188388e-01 4.58 -3.688698292e-01 -3.688698292e-01 4.60 -3.545962160e-01 -3.545962160e-01 4.62 -3.406701506e-01 -3.406701506e-01 4.64 -3.270674395e-01 -3.270674395e-01 4.66 -3.137679377e-01 -3.137679377e-01 4.68 -3.007557865e-01 -3.007557865e-01 4.70 -2.880194886e-01 -2.880194886e-01 4.72 -2.755518218e-01 -2.755518218e-01 4.74 -2.633495983e-01 -2.633495983e-01 4.76 -2.514132898e-01 -2.514132898e-01 4.78 -2.397465502e-01 -2.397465502e-01 4.80 -2.283549186e-01 -2.283549186e-01 4.82 -2.172484257e-01 -2.172484257e-01 4.84 -2.064361307e-01 -2.064361307e-01 4.86 -1.959290937e-01 -1.959290937e-01 4.88 -1.857390722e-01 -1.857390722e-01 4.90 -1.758781777e-01 -1.758781777e-01 4.92 -1.663585664e-01 -1.663585664e-01 4.94 -1.571921251e-01 -1.571921251e-01 4.96 -1.483901239e-01 -1.483901239e-01 4.98 -1.399628135e-01 -1.399628135e-01 5.00 -1.319189691e-01 -1.319189691e-01 5.02 -1.242654057e-01 -1.242654057e-01 5.04 -1.170065025e-01 -1.170065025e-01 5.06 -1.101437918e-01 -1.101437918e-01 5.08 -1.036756685e-01 -1.036756685e-01 5.10 -9.759725330e-02 -9.759725330e-02 5.12 -9.190043041e-02 -9.190043041e-02 5.14 -8.657405646e-02 -8.657405646e-02 5.16 -8.160432512e-02 -8.160432512e-02 5.18 -7.697523957e-02 -7.697523957e-02 5.20 -7.266911105e-02 -7.266911105e-02 5.22 -6.866661966e-02 -6.866661966e-02 5.24 -6.494872375e-02 -6.494872375e-02 5.26 -6.149640650e-02 -6.149640650e-02 5.28 -5.829077904e-02 -5.829077904e-02 5.30 -5.531344060e-02 -5.531344060e-02 5.32 -5.254673356e-02 -5.254673356e-02 5.34 -4.997390419e-02 -4.997390419e-02 5.36 -4.757915278e-02 -4.757915278e-02 5.38 -4.534767438e-02 -4.534767438e-02 5.40 -4.326576757e-02 -4.326576757e-02 5.42 -4.132067775e-02 -4.132067775e-02 5.44 -3.950054707e-02 -3.950054707e-02 5.46 -3.779436468e-02 -3.779436468e-02 5.48 -3.619191697e-02 -3.619191697e-02 5.50 -3.468374068e-02 -3.468374068e-02 5.52 -3.326107965e-02 -3.326107965e-02 5.54 -3.191584503e-02 -3.191584503e-02 5.56 -3.064057821e-02 -3.064057821e-02 5.58 -2.942841566e-02 -2.942841566e-02 5.60 -2.827305505e-02 -2.827305505e-02 5.62 -2.716872240e-02 -2.716872240e-02 5.64 -2.611013994e-02 -2.611013994e-02 5.66 -2.509249551e-02 -2.509249551e-02 5.68 -2.411141361e-02 -2.411141361e-02 5.70 -2.316292863e-02 -2.316292863e-02 5.72 -2.224346094e-02 -2.224346094e-02 5.74 -2.134979623e-02 -2.134979623e-02 5.76 -2.047906846e-02 -2.047906846e-02 5.78 -1.962874672e-02 -1.962874672e-02 5.80 -1.879662582e-02 -1.879662582e-02 5.82 -1.798082044e-02 -1.798082044e-02 5.84 -1.717976246e-02 -1.717976246e-02 5.86 -1.639220050e-02 -1.639220050e-02 5.88 -1.561720083e-02 -1.561720083e-02 5.90 -1.485414836e-02 -1.485414836e-02 5.92 -1.410274622e-02 -1.410274622e-02 5.94 -1.336299821e-02 -1.336299821e-02 5.96 -1.263514610e-02 -1.263514610e-02 5.98 -1.191981347e-02 -1.191981347e-02 6.00 -1.121791155e-02 -1.121791155e-02