# 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 = Co2MoTa # 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 2.283249175e+02 2.283249175e+02 1.30 2.103747505e+02 2.103747505e+02 1.32 1.938208844e+02 1.938208844e+02 1.34 1.785450220e+02 1.785450220e+02 1.36 1.644397867e+02 1.644397867e+02 1.38 1.514078847e+02 1.514078847e+02 1.40 1.393615233e+02 1.393615233e+02 1.42 1.282217091e+02 1.282217091e+02 1.44 1.179169321e+02 1.179169321e+02 1.46 1.083816197e+02 1.083816197e+02 1.48 9.955504710e+01 9.955504710e+01 1.50 9.138086289e+01 9.138086289e+01 1.52 8.380704215e+01 8.380704215e+01 1.54 7.678613075e+01 7.678613075e+01 1.56 7.027554951e+01 7.027554951e+01 1.58 6.423755903e+01 6.423755903e+01 1.60 5.863867654e+01 5.863867654e+01 1.62 5.344873349e+01 5.344873349e+01 1.64 4.863993889e+01 4.863993889e+01 1.66 4.418621375e+01 4.418621375e+01 1.68 4.006286526e+01 4.006286526e+01 1.70 3.624649217e+01 3.624649217e+01 1.72 3.271494444e+01 3.271494444e+01 1.74 2.944725197e+01 2.944725197e+01 1.76 2.642467976e+01 2.642467976e+01 1.78 2.363276999e+01 2.363276999e+01 1.80 2.105567764e+01 2.105567764e+01 1.82 1.867818248e+01 1.867818248e+01 1.84 1.648649761e+01 1.648649761e+01 1.86 1.446804599e+01 1.446804599e+01 1.88 1.261068007e+01 1.261068007e+01 1.90 1.090325567e+01 1.090325567e+01 1.92 9.335330474e+00 9.335330474e+00 1.94 7.896928231e+00 7.896928231e+00 1.96 6.578414181e+00 6.578414181e+00 1.98 5.370484050e+00 5.370484050e+00 2.00 4.264238176e+00 4.264238176e+00 2.02 3.251297892e+00 3.251297892e+00 2.04 2.323913257e+00 2.323913257e+00 2.06 1.475018814e+00 1.475018814e+00 2.08 6.982238422e-01 6.982238422e-01 2.10 -1.224415230e-02 -1.224415230e-02 2.12 -6.616102111e-01 -6.616102111e-01 2.14 -1.254610917e+00 -1.254610917e+00 2.16 -1.795532249e+00 -1.795532249e+00 2.18 -2.288233487e+00 -2.288233487e+00 2.20 -2.736173368e+00 -2.736173368e+00 2.22 -3.142452698e+00 -3.142452698e+00 2.24 -3.509877272e+00 -3.509877272e+00 2.26 -3.841033568e+00 -3.841033568e+00 2.28 -4.138363783e+00 -4.138363783e+00 2.30 -4.404226941e+00 -4.404226941e+00 2.32 -4.640936612e+00 -4.640936612e+00 2.34 -4.850770860e+00 -4.850770860e+00 2.36 -5.035955940e+00 -5.035955940e+00 2.38 -5.198631031e+00 -5.198631031e+00 2.40 -5.340792583e+00 -5.340792583e+00 2.42 -5.464146269e+00 -5.464146269e+00 2.44 -5.570478226e+00 -5.570478226e+00 2.46 -5.661414502e+00 -5.661414502e+00 2.48 -5.738343044e+00 -5.738343044e+00 2.50 -5.802446060e+00 -5.802446060e+00 2.52 -5.854707822e+00 -5.854707822e+00 2.54 -5.895834552e+00 -5.895834552e+00 2.56 -5.926402922e+00 -5.926402922e+00 2.58 -5.946963002e+00 -5.946963002e+00 2.60 -5.958091859e+00 -5.958091859e+00 2.62 -5.960366371e+00 -5.960366371e+00 2.64 -5.954333282e+00 -5.954333282e+00 2.66 -5.940485135e+00 -5.940485135e+00 2.68 -5.919235530e+00 -5.919235530e+00 2.70 -5.890785320e+00 -5.890785320e+00 2.72 -5.855252575e+00 -5.855252575e+00 2.74 -5.812830223e+00 -5.812830223e+00 2.76 -5.763618529e+00 -5.763618529e+00 2.78 -5.707746228e+00 -5.707746228e+00 2.80 -5.645389638e+00 -5.645389638e+00 2.82 -5.576770566e+00 -5.576770566e+00 2.84 -5.502155694e+00 -5.502155694e+00 2.86 -5.421857856e+00 -5.421857856e+00 2.88 -5.336238676e+00 -5.336238676e+00 2.90 -5.245703637e+00 -5.245703637e+00 2.92 -5.150634237e+00 -5.150634237e+00 2.94 -5.051429659e+00 -5.051429659e+00 2.96 -4.948551724e+00 -4.948551724e+00 2.98 -4.842509483e+00 -4.842509483e+00 3.00 -4.733838315e+00 -4.733838315e+00 3.02 -4.623075209e+00 -4.623075209e+00 3.04 -4.510732301e+00 -4.510732301e+00 3.06 -4.397271563e+00 -4.397271563e+00 3.08 -4.283084039e+00 -4.283084039e+00 3.10 -4.168476902e+00 -4.168476902e+00 3.12 -4.053670479e+00 -4.053670479e+00 3.14 -3.938805599e+00 -3.938805599e+00 3.16 -3.823959674e+00 -3.823959674e+00 3.18 -3.709168534e+00 -3.709168534e+00 3.20 -3.594450524e+00 -3.594450524e+00 3.22 -3.479829678e+00 -3.479829678e+00 3.24 -3.365355462e+00 -3.365355462e+00 3.26 -3.251117414e+00 -3.251117414e+00 3.28 -3.137253721e+00 -3.137253721e+00 3.30 -3.023953490e+00 -3.023953490e+00 3.32 -2.911453032e+00 -2.911453032e+00 3.34 -2.800027055e+00 -2.800027055e+00 3.36 -2.689976093e+00 -2.689976093e+00 3.38 -2.581611723e+00 -2.581611723e+00 3.40 -2.475241199e+00 -2.475241199e+00 3.42 -2.371152910e+00 -2.371152910e+00 3.44 -2.269603754e+00 -2.269603754e+00 3.46 -2.170809140e+00 -2.170809140e+00 3.48 -2.074935981e+00 -2.074935981e+00 3.50 -1.982098769e+00 -1.982098769e+00 3.52 -1.892358685e+00 -1.892358685e+00 3.54 -1.805725546e+00 -1.805725546e+00 3.56 -1.722162350e+00 -1.722162350e+00 3.58 -1.641592056e+00 -1.641592056e+00 3.60 -1.563906168e+00 -1.563906168e+00 3.62 -1.488974592e+00 -1.488974592e+00 3.64 -1.416656163e+00 -1.416656163e+00 3.66 -1.346809185e+00 -1.346809185e+00 3.68 -1.279301331e+00 -1.279301331e+00 3.70 -1.214018252e+00 -1.214018252e+00 3.72 -1.150870327e+00 -1.150870327e+00 3.74 -1.089797086e+00 -1.089797086e+00 3.76 -1.030768995e+00 -1.030768995e+00 3.78 -9.737864895e-01 -9.737864895e-01 3.80 -9.188763877e-01 -9.188763877e-01 3.82 -8.660860399e-01 -8.660860399e-01 3.84 -8.154758133e-01 -8.154758133e-01 3.86 -7.671106598e-01 -7.671106598e-01 3.88 -7.210515988e-01 -7.210515988e-01 3.90 -6.773479148e-01 -6.773479148e-01 3.92 -6.360307438e-01 -6.360307438e-01 3.94 -5.971085135e-01 -5.971085135e-01 3.96 -5.605644550e-01 -5.605644550e-01 3.98 -5.263561631e-01 -5.263561631e-01 4.00 -4.944169714e-01 -4.944169714e-01 4.02 -4.646587709e-01 -4.646587709e-01 4.04 -4.369758298e-01 -4.369758298e-01 4.06 -4.112491737e-01 -4.112491737e-01 4.08 -3.873511330e-01 -3.873511330e-01 4.10 -3.651497445e-01 -3.651497445e-01 4.12 -3.445127858e-01 -3.445127858e-01 4.14 -3.253112932e-01 -3.253112932e-01 4.16 -3.074224900e-01 -3.074224900e-01 4.18 -2.907320775e-01 -2.907320775e-01 4.20 -2.751358719e-01 -2.751358719e-01 4.22 -2.605407717e-01 -2.605407717e-01 4.24 -2.468650517e-01 -2.468650517e-01 4.26 -2.340379962e-01 -2.340379962e-01 4.28 -2.219989201e-01 -2.219989201e-01 4.30 -2.106956836e-01 -2.106956836e-01 4.32 -2.000828664e-01 -2.000828664e-01 4.34 -1.901198144e-01 -1.901198144e-01 4.36 -1.807687947e-01 -1.807687947e-01 4.38 -1.719934578e-01 -1.719934578e-01 4.40 -1.637577484e-01 -1.637577484e-01 4.42 -1.560253116e-01 -1.560253116e-01 4.44 -1.487593411e-01 -1.487593411e-01 4.46 -1.419224534e-01 -1.419224534e-01 4.48 -1.354779102e-01 -1.354779102e-01 4.50 -1.293897692e-01 -1.293897692e-01 4.52 -1.236230878e-01 -1.236230878e-01 4.54 -1.181443747e-01 -1.181443747e-01 4.56 -1.129219021e-01 -1.129219021e-01 4.58 -1.079258841e-01 -1.079258841e-01 4.60 -1.031285514e-01 -1.031285514e-01 4.62 -9.850415233e-02 -9.850415233e-02 4.64 -9.402891923e-02 -9.402891923e-02 4.66 -8.968103253e-02 -8.968103253e-02 4.68 -8.544061142e-02 -8.544061142e-02 4.70 -8.128975427e-02 -8.128975427e-02 4.72 -7.721264467e-02 -7.721264467e-02 4.74 -7.319573126e-02 -7.319573126e-02 4.76 -6.922798031e-02 -6.922798031e-02 4.78 -6.530118920e-02 -6.530118920e-02 4.80 -6.141033565e-02 -6.141033565e-02 4.82 -5.755392511e-02 -5.755392511e-02 4.84 -5.373428188e-02 -5.373428188e-02 4.86 -4.995772433e-02 -4.995772433e-02 4.88 -4.623455584e-02 -4.623455584e-02 4.90 -4.257881259e-02 -4.257881259e-02 4.92 -3.900772798e-02 -3.900772798e-02 4.94 -3.554090626e-02 -3.554090626e-02 4.96 -3.219924066e-02 -3.219924066e-02 4.98 -2.900365388e-02 -2.900365388e-02 5.00 -2.597377911e-02 -2.597377911e-02 5.02 -2.312671825e-02 -2.312671825e-02 5.04 -2.047600697e-02 -2.047600697e-02 5.06 -1.803089131e-02 -1.803089131e-02 5.08 -1.579572255e-02 -1.579572255e-02 5.10 -1.377030892e-02 -1.377030892e-02 5.12 -1.195065493e-02 -1.195065493e-02 5.14 -1.032896367e-02 -1.032896367e-02 5.16 -8.894415756e-03 -8.894415756e-03 5.18 -7.634010921e-03 -7.634010921e-03 5.20 -6.533382406e-03 -6.533382406e-03 5.22 -5.577525094e-03 -5.577525094e-03 5.24 -4.751402639e-03 -4.751402639e-03 5.26 -4.040420324e-03 -4.040420324e-03 5.28 -3.430766622e-03 -3.430766622e-03 5.30 -2.909637046e-03 -2.909637046e-03 5.32 -2.465359458e-03 -2.465359458e-03 5.34 -2.087441712e-03 -2.087441712e-03 5.36 -1.766561583e-03 -1.766561583e-03 5.38 -1.494516493e-03 -1.494516493e-03 5.40 -1.264147515e-03 -1.264147515e-03 5.42 -1.069248940e-03 -1.069248940e-03 5.44 -9.044718241e-04 -9.044718241e-04 5.46 -7.652274595e-04 -7.652274595e-04 5.48 -6.475947522e-04 -6.475947522e-04 5.50 -5.482339336e-04 -5.482339336e-04 5.52 -4.643079288e-04 -4.643079288e-04 5.54 -3.934118971e-04 -3.934118971e-04 5.56 -3.335109185e-04 -3.335109185e-04 5.58 -2.828854562e-04 -2.828854562e-04 5.60 -2.400840235e-04 -2.400840235e-04 5.62 -2.038823781e-04 -2.038823781e-04 5.64 -1.732485367e-04 -1.732485367e-04 5.66 -1.473129119e-04 -1.473129119e-04 5.68 -1.253429141e-04 -1.253429141e-04 5.70 -1.067214130e-04 -1.067214130e-04 5.72 -9.092851531e-05 -9.092851531e-05 5.74 -7.752617750e-05 -7.752617750e-05 5.76 -6.614523113e-05 -6.614523113e-05 5.78 -5.647445544e-05 -5.647445544e-05 5.80 -4.825138213e-05 -4.825138213e-05 5.82 -4.125456264e-05 -4.125456264e-05 5.84 -3.529706798e-05 -3.529706798e-05 5.86 -3.022102630e-05 -3.022102630e-05 5.88 -2.589303284e-05 -2.589303284e-05 5.90 -2.220029304e-05 -2.220029304e-05 5.92 -1.904738125e-05 -1.904738125e-05 5.94 -1.635351628e-05 -1.635351628e-05 5.96 -1.405027072e-05 -1.405027072e-05 5.98 -1.207964425e-05 -1.207964425e-05 6.00 -1.039244256e-05 -1.039244256e-05