# 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 = Ag2MoPd # 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 3.011746052e+02 3.011746052e+02 1.30 2.789541693e+02 2.789541693e+02 1.32 2.583766434e+02 2.583766434e+02 1.34 2.393199832e+02 2.393199832e+02 1.36 2.216714378e+02 2.216714378e+02 1.38 2.053239066e+02 2.053239066e+02 1.40 1.901747492e+02 1.901747492e+02 1.42 1.761268600e+02 1.761268600e+02 1.44 1.630905009e+02 1.630905009e+02 1.46 1.509843974e+02 1.509843974e+02 1.48 1.397356180e+02 1.397356180e+02 1.50 1.292785951e+02 1.292785951e+02 1.52 1.195538851e+02 1.195538851e+02 1.54 1.105071263e+02 1.105071263e+02 1.56 1.020883456e+02 1.020883456e+02 1.58 9.425152478e+01 9.425152478e+01 1.60 8.695430376e+01 8.695430376e+01 1.62 8.015777147e+01 8.015777147e+01 1.64 7.382631634e+01 7.382631634e+01 1.66 6.792747210e+01 6.792747210e+01 1.68 6.243246591e+01 6.243246591e+01 1.70 5.731827052e+01 5.731827052e+01 1.72 5.257476532e+01 5.257476532e+01 1.74 4.818189000e+01 4.818189000e+01 1.76 4.411526901e+01 4.411526901e+01 1.78 4.035111451e+01 4.035111451e+01 1.80 3.686694319e+01 3.686694319e+01 1.82 3.364171103e+01 3.364171103e+01 1.84 3.065591988e+01 3.065591988e+01 1.86 2.789165440e+01 2.789165440e+01 1.88 2.533254476e+01 2.533254476e+01 1.90 2.296366891e+01 2.296366891e+01 1.92 2.077141237e+01 2.077141237e+01 1.94 1.874330733e+01 1.874330733e+01 1.96 1.686787271e+01 1.686787271e+01 1.98 1.513446854e+01 1.513446854e+01 2.00 1.353316747e+01 1.353316747e+01 2.02 1.205464450e+01 1.205464450e+01 2.04 1.069008847e+01 1.069008847e+01 2.06 9.431139998e+00 9.431139998e+00 2.08 8.269858851e+00 8.269858851e+00 2.10 7.198721448e+00 7.198721448e+00 2.12 6.210645649e+00 6.210645649e+00 2.14 5.299033648e+00 5.299033648e+00 2.16 4.457817590e+00 4.457817590e+00 2.18 3.681491281e+00 3.681491281e+00 2.20 2.965116025e+00 2.965116025e+00 2.22 2.304296602e+00 2.304296602e+00 2.24 1.695131216e+00 1.695131216e+00 2.26 1.134144380e+00 1.134144380e+00 2.28 6.182133128e-01 6.182133128e-01 2.30 1.444968243e-01 1.444968243e-01 2.32 -2.896275443e-01 -2.896275443e-01 2.34 -6.866151158e-01 -6.866151158e-01 2.36 -1.048793163e+00 -1.048793163e+00 2.38 -1.378311717e+00 -1.378311717e+00 2.40 -1.677250593e+00 -1.677250593e+00 2.42 -1.947819577e+00 -1.947819577e+00 2.44 -2.192115893e+00 -2.192115893e+00 2.46 -2.412122019e+00 -2.412122019e+00 2.48 -2.609708138e+00 -2.609708138e+00 2.50 -2.786632387e+00 -2.786632387e+00 2.52 -2.944538717e+00 -2.944538717e+00 2.54 -3.084885874e+00 -3.084885874e+00 2.56 -3.208847575e+00 -3.208847575e+00 2.58 -3.317506469e+00 -3.317506469e+00 2.60 -3.411891538e+00 -3.411891538e+00 2.62 -3.492978755e+00 -3.492978755e+00 2.64 -3.561688825e+00 -3.561688825e+00 2.66 -3.619131616e+00 -3.619131616e+00 2.68 -3.666254813e+00 -3.666254813e+00 2.70 -3.703550225e+00 -3.703550225e+00 2.72 -3.731473892e+00 -3.731473892e+00 2.74 -3.750447733e+00 -3.750447733e+00 2.76 -3.760865055e+00 -3.760865055e+00 2.78 -3.763099091e+00 -3.763099091e+00 2.80 -3.757528899e+00 -3.757528899e+00 2.82 -3.744603977e+00 -3.744603977e+00 2.84 -3.724795543e+00 -3.724795543e+00 2.86 -3.698584355e+00 -3.698584355e+00 2.88 -3.666470186e+00 -3.666470186e+00 2.90 -3.628979649e+00 -3.628979649e+00 2.92 -3.586831071e+00 -3.586831071e+00 2.94 -3.540557714e+00 -3.540557714e+00 2.96 -3.490560409e+00 -3.490560409e+00 2.98 -3.437270220e+00 -3.437270220e+00 3.00 -3.381127792e+00 -3.381127792e+00 3.02 -3.322563954e+00 -3.322563954e+00 3.04 -3.261983140e+00 -3.261983140e+00 3.06 -3.199750371e+00 -3.199750371e+00 3.08 -3.136186776e+00 -3.136186776e+00 3.10 -3.071573960e+00 -3.071573960e+00 3.12 -3.006136000e+00 -3.006136000e+00 3.14 -2.940037331e+00 -2.940037331e+00 3.16 -2.873387714e+00 -2.873387714e+00 3.18 -2.806250373e+00 -2.806250373e+00 3.20 -2.738652528e+00 -2.738652528e+00 3.22 -2.670597362e+00 -2.670597362e+00 3.24 -2.602076426e+00 -2.602076426e+00 3.26 -2.533081638e+00 -2.533081638e+00 3.28 -2.463616283e+00 -2.463616283e+00 3.30 -2.393704588e+00 -2.393704588e+00 3.32 -2.323399572e+00 -2.323399572e+00 3.34 -2.252788848e+00 -2.252788848e+00 3.36 -2.181998064e+00 -2.181998064e+00 3.38 -2.111191631e+00 -2.111191631e+00 3.40 -2.040570522e+00 -2.040570522e+00 3.42 -1.970367049e+00 -1.970367049e+00 3.44 -1.900836844e+00 -1.900836844e+00 3.46 -1.832248572e+00 -1.832248572e+00 3.48 -1.764872215e+00 -1.764872215e+00 3.50 -1.698966977e+00 -1.698966977e+00 3.52 -1.634769923e+00 -1.634769923e+00 3.54 -1.572486375e+00 -1.572486375e+00 3.56 -1.512282809e+00 -1.512282809e+00 3.58 -1.454282683e+00 -1.454282683e+00 3.60 -1.398565208e+00 -1.398565208e+00 3.62 -1.345166798e+00 -1.345166798e+00 3.64 -1.294084644e+00 -1.294084644e+00 3.66 -1.245281802e+00 -1.245281802e+00 3.68 -1.198693119e+00 -1.198693119e+00 3.70 -1.154231430e+00 -1.154231430e+00 3.72 -1.111793569e+00 -1.111793569e+00 3.74 -1.071265860e+00 -1.071265860e+00 3.76 -1.032528915e+00 -1.032528915e+00 3.78 -9.954616314e-01 -9.954616314e-01 3.80 -9.599444031e-01 -9.599444031e-01 3.82 -9.258615833e-01 -9.258615833e-01 3.84 -8.931032852e-01 -8.931032852e-01 3.86 -8.615666190e-01 -8.615666190e-01 3.88 -8.311564724e-01 -8.311564724e-01 3.90 -8.017859410e-01 -8.017859410e-01 3.92 -7.733765080e-01 -7.733765080e-01 3.94 -7.458580663e-01 -7.458580663e-01 3.96 -7.191688417e-01 -7.191688417e-01 3.98 -6.932552812e-01 -6.932552812e-01 4.00 -6.680719111e-01 -6.680719111e-01 4.02 -6.435811609e-01 -6.435811609e-01 4.04 -6.197531129e-01 -6.197531129e-01 4.06 -5.965651241e-01 -5.965651241e-01 4.08 -5.740012615e-01 -5.740012615e-01 4.10 -5.520515098e-01 -5.520515098e-01 4.12 -5.307107598e-01 -5.307107598e-01 4.14 -5.099775824e-01 -5.099775824e-01 4.16 -4.898529300e-01 -4.898529300e-01 4.18 -4.703388493e-01 -4.703388493e-01 4.20 -4.514373484e-01 -4.514373484e-01 4.22 -4.331495170e-01 -4.331495170e-01 4.24 -4.154749471e-01 -4.154749471e-01 4.26 -3.984114328e-01 -3.984114328e-01 4.28 -3.819548735e-01 -3.819548735e-01 4.30 -3.660992718e-01 -3.660992718e-01 4.32 -3.508367176e-01 -3.508367176e-01 4.34 -3.361572850e-01 -3.361572850e-01 4.36 -3.220488211e-01 -3.220488211e-01 4.38 -3.084966576e-01 -3.084966576e-01 4.40 -2.954833196e-01 -2.954833196e-01 4.42 -2.829883209e-01 -2.829883209e-01 4.44 -2.709881254e-01 -2.709881254e-01 4.46 -2.594563257e-01 -2.594563257e-01 4.48 -2.483640535e-01 -2.483640535e-01 4.50 -2.376805953e-01 -2.376805953e-01 4.52 -2.273741665e-01 -2.273741665e-01 4.54 -2.174127781e-01 -2.174127781e-01 4.56 -2.077651324e-01 -2.077651324e-01 4.58 -1.984014904e-01 -1.984014904e-01 4.60 -1.892944633e-01 -1.892944633e-01 4.62 -1.804196948e-01 -1.804196948e-01 4.64 -1.717564048e-01 -1.717564048e-01 4.66 -1.632877763e-01 -1.632877763e-01 4.68 -1.550011694e-01 -1.550011694e-01 4.70 -1.468881533e-01 -1.468881533e-01 4.72 -1.389443558e-01 -1.389443558e-01 4.74 -1.311691400e-01 -1.311691400e-01 4.76 -1.235651356e-01 -1.235651356e-01 4.78 -1.161376630e-01 -1.161376630e-01 4.80 -1.088941026e-01 -1.088941026e-01 4.82 -1.018432754e-01 -1.018432754e-01 4.84 -9.499486828e-02 -9.499486828e-02 4.86 -8.835897328e-02 -8.835897328e-02 4.88 -8.194574325e-02 -8.194574325e-02 4.90 -7.576516331e-02 -7.576516331e-02 4.92 -6.982691029e-02 -6.982691029e-02 4.94 -6.413998423e-02 -6.413998423e-02 4.96 -5.871297913e-02 -5.871297913e-02 4.98 -5.355432735e-02 -5.355432735e-02 5.00 -4.867145450e-02 -4.867145450e-02 5.02 -4.407051934e-02 -4.407051934e-02 5.04 -3.975609758e-02 -3.975609758e-02 5.06 -3.573084101e-02 -3.573084101e-02 5.08 -3.199516161e-02 -3.199516161e-02 5.10 -2.854698910e-02 -2.854698910e-02 5.12 -2.538164070e-02 -2.538164070e-02 5.14 -2.249182822e-02 -2.249182822e-02 5.16 -1.986780331e-02 -1.986780331e-02 5.18 -1.749762773e-02 -1.749762773e-02 5.20 -1.536741728e-02 -1.536741728e-02 5.22 -1.346182436e-02 -1.346182436e-02 5.24 -1.176496367e-02 -1.176496367e-02 5.26 -1.026038696e-02 -1.026038696e-02 5.28 -8.931498113e-03 -8.931498113e-03 5.30 -7.761932667e-03 -7.761932667e-03 5.32 -6.735866645e-03 -6.735866645e-03 5.34 -5.838252525e-03 -5.838252525e-03 5.36 -5.054985775e-03 -5.054985775e-03 5.38 -4.373009325e-03 -4.373009325e-03 5.40 -3.780365375e-03 -3.780365375e-03 5.42 -3.266204698e-03 -3.266204698e-03 5.44 -2.820763268e-03 -2.820763268e-03 5.46 -2.435315151e-03 -2.435315151e-03 5.48 -2.102109348e-03 -2.102109348e-03 5.50 -1.814296897e-03 -1.814296897e-03 5.52 -1.565853210e-03 -1.565853210e-03 5.54 -1.351499435e-03 -1.351499435e-03 5.56 -1.166625550e-03 -1.166625550e-03 5.58 -1.007217084e-03 -1.007217084e-03 5.60 -8.697866429e-04 -8.697866429e-04 5.62 -7.513109173e-04 -7.513109173e-04 5.64 -6.491734347e-04 -6.491734347e-04 5.66 -5.611130655e-04 -5.611130655e-04 5.68 -4.851780780e-04 -4.851780780e-04 5.70 -4.196854278e-04 -4.196854278e-04 5.72 -3.631848894e-04 -3.631848894e-04 5.74 -3.144276041e-04 -3.144276041e-04 5.76 -2.723386100e-04 -2.723386100e-04 5.78 -2.359929299e-04 -2.359929299e-04 5.80 -2.045948152e-04 -2.045948152e-04 5.82 -1.774597701e-04 -1.774597701e-04 5.84 -1.539990146e-04 -1.539990146e-04 5.86 -1.337060769e-04 -1.337060769e-04 5.88 -1.161452384e-04 -1.161452384e-04 5.90 -1.009415865e-04 -1.009415865e-04 5.92 -8.777245832e-05 -8.777245832e-05 5.94 -7.636008644e-05 -7.636008644e-05 5.96 -6.646528045e-05 -6.646528045e-05 5.98 -5.788200109e-05 -5.788200109e-05 6.00 -5.043270184e-05 -5.043270184e-05