# 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 = MgMo2Pb # 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 4.117418502e+02 4.117418502e+02 1.30 3.829609610e+02 3.829609610e+02 1.32 3.562599416e+02 3.562599416e+02 1.34 3.314704586e+02 3.314704586e+02 1.36 3.084415592e+02 3.084415592e+02 1.38 2.870372407e+02 2.870372407e+02 1.40 2.671340184e+02 2.671340184e+02 1.42 2.486187501e+02 2.486187501e+02 1.44 2.313870135e+02 2.313870135e+02 1.46 2.153421941e+02 2.153421941e+02 1.48 2.003952040e+02 2.003952040e+02 1.50 1.864645226e+02 1.864645226e+02 1.52 1.734761568e+02 1.734761568e+02 1.54 1.613631820e+02 1.613631820e+02 1.56 1.500648277e+02 1.500648277e+02 1.58 1.395253676e+02 1.395253676e+02 1.60 1.296930921e+02 1.296930921e+02 1.62 1.205195531e+02 1.205195531e+02 1.64 1.119591083e+02 1.119591083e+02 1.66 1.039687352e+02 1.039687352e+02 1.68 9.650801537e+01 9.650801537e+01 1.70 8.953925000e+01 8.953925000e+01 1.72 8.302763820e+01 8.302763820e+01 1.74 7.694235948e+01 7.694235948e+01 1.76 7.125912725e+01 7.125912725e+01 1.78 6.595345709e+01 6.595345709e+01 1.80 6.100884184e+01 6.100884184e+01 1.82 5.640443527e+01 5.640443527e+01 1.84 5.211932922e+01 5.211932922e+01 1.86 4.813354737e+01 4.813354737e+01 1.88 4.442784300e+01 4.442784300e+01 1.90 4.098367599e+01 4.098367599e+01 1.92 3.778328958e+01 3.778328958e+01 1.94 3.480980954e+01 3.480980954e+01 1.96 3.204730628e+01 3.204730628e+01 1.98 2.948081539e+01 2.948081539e+01 2.00 2.709630820e+01 2.709630820e+01 2.02 2.488062591e+01 2.488062591e+01 2.04 2.282139564e+01 2.282139564e+01 2.06 2.090695424e+01 2.090695424e+01 2.08 1.912630002e+01 1.912630002e+01 2.10 1.746908705e+01 1.746908705e+01 2.12 1.592565919e+01 1.592565919e+01 2.14 1.448710522e+01 1.448710522e+01 2.16 1.314531309e+01 1.314531309e+01 2.18 1.189299456e+01 1.189299456e+01 2.20 1.072366291e+01 1.072366291e+01 2.22 9.631567469e+00 9.631567469e+00 2.24 8.611597513e+00 8.611597513e+00 2.26 7.659175829e+00 7.659175829e+00 2.28 6.770153406e+00 6.770153406e+00 2.30 5.940724846e+00 5.940724846e+00 2.32 5.167348640e+00 5.167348640e+00 2.34 4.446701115e+00 4.446701115e+00 2.36 3.775635645e+00 3.775635645e+00 2.38 3.151164852e+00 3.151164852e+00 2.40 2.570454239e+00 2.570454239e+00 2.42 2.030823994e+00 2.030823994e+00 2.44 1.529754308e+00 1.529754308e+00 2.46 1.064890497e+00 1.064890497e+00 2.48 6.340457239e-01 6.340457239e-01 2.50 2.353166050e-01 2.353166050e-01 2.52 -1.330186366e-01 -1.330186366e-01 2.54 -4.728988294e-01 -4.728988294e-01 2.56 -7.860892283e-01 -7.860892283e-01 2.58 -1.074186940e+00 -1.074186940e+00 2.60 -1.338644192e+00 -1.338644192e+00 2.62 -1.580792148e+00 -1.580792148e+00 2.64 -1.801869100e+00 -1.801869100e+00 2.66 -2.003022424e+00 -2.003022424e+00 2.68 -2.185073542e+00 -2.185073542e+00 2.70 -2.348620813e+00 -2.348620813e+00 2.72 -2.494298925e+00 -2.494298925e+00 2.74 -2.622780624e+00 -2.622780624e+00 2.76 -2.734768776e+00 -2.734768776e+00 2.78 -2.830988728e+00 -2.830988728e+00 2.80 -2.912183613e+00 -2.912183613e+00 2.82 -2.979110806e+00 -2.979110806e+00 2.84 -3.032544343e+00 -3.032544343e+00 2.86 -3.073279699e+00 -3.073279699e+00 2.88 -3.102141092e+00 -3.102141092e+00 2.90 -3.119989001e+00 -3.119989001e+00 2.92 -3.127725301e+00 -3.127725301e+00 2.94 -3.126293379e+00 -3.126293379e+00 2.96 -3.116671157e+00 -3.116671157e+00 2.98 -3.099856053e+00 -3.099856053e+00 3.00 -3.076842551e+00 -3.076842551e+00 3.02 -3.048594659e+00 -3.048594659e+00 3.04 -3.016016292e+00 -3.016016292e+00 3.06 -2.979926999e+00 -2.979926999e+00 3.08 -2.941038024e+00 -2.941038024e+00 3.10 -2.899943145e+00 -2.899943145e+00 3.12 -2.857114300e+00 -2.857114300e+00 3.14 -2.812912448e+00 -2.812912448e+00 3.16 -2.767591313e+00 -2.767591313e+00 3.18 -2.721318319e+00 -2.721318319e+00 3.20 -2.674189215e+00 -2.674189215e+00 3.22 -2.626243643e+00 -2.626243643e+00 3.24 -2.577479436e+00 -2.577479436e+00 3.26 -2.527885557e+00 -2.527885557e+00 3.28 -2.477455402e+00 -2.477455402e+00 3.30 -2.426035132e+00 -2.426035132e+00 3.32 -2.373477351e+00 -2.373477351e+00 3.34 -2.319669602e+00 -2.319669602e+00 3.36 -2.264565248e+00 -2.264565248e+00 3.38 -2.208110302e+00 -2.208110302e+00 3.40 -2.150197183e+00 -2.150197183e+00 3.42 -2.090820244e+00 -2.090820244e+00 3.44 -2.030080375e+00 -2.030080375e+00 3.46 -1.968063329e+00 -1.968063329e+00 3.48 -1.904818313e+00 -1.904818313e+00 3.50 -1.840540377e+00 -1.840540377e+00 3.52 -1.775555837e+00 -1.775555837e+00 3.54 -1.710283972e+00 -1.710283972e+00 3.56 -1.645195397e+00 -1.645195397e+00 3.58 -1.580771908e+00 -1.580771908e+00 3.60 -1.517471832e+00 -1.517471832e+00 3.62 -1.455703568e+00 -1.455703568e+00 3.64 -1.395808399e+00 -1.395808399e+00 3.66 -1.338052237e+00 -1.338052237e+00 3.68 -1.282624913e+00 -1.282624913e+00 3.70 -1.229645071e+00 -1.229645071e+00 3.72 -1.179168620e+00 -1.179168620e+00 3.74 -1.131198908e+00 -1.131198908e+00 3.76 -1.085697216e+00 -1.085697216e+00 3.78 -1.042592641e+00 -1.042592641e+00 3.80 -1.001790859e+00 -1.001790859e+00 3.82 -9.631815701e-01 -9.631815701e-01 3.84 -9.266446481e-01 -9.266446481e-01 3.86 -8.920550774e-01 -8.920550774e-01 3.88 -8.592868248e-01 -8.592868248e-01 3.90 -8.282157812e-01 -8.282157812e-01 3.92 -7.987213625e-01 -7.987213625e-01 3.94 -7.706903221e-01 -7.706903221e-01 3.96 -7.440140999e-01 -7.440140999e-01 3.98 -7.185919763e-01 -7.185919763e-01 4.00 -6.943306848e-01 -6.943306848e-01 4.02 -6.711444760e-01 -6.711444760e-01 4.04 -6.489550048e-01 -6.489550048e-01 4.06 -6.276910777e-01 -6.276910777e-01 4.08 -6.072882929e-01 -6.072882929e-01 4.10 -5.876868660e-01 -5.876868660e-01 4.12 -5.688384047e-01 -5.688384047e-01 4.14 -5.506939440e-01 -5.506939440e-01 4.16 -5.332114733e-01 -5.332114733e-01 4.18 -5.163532876e-01 -5.163532876e-01 4.20 -5.000854990e-01 -5.000854990e-01 4.22 -4.843775802e-01 -4.843775802e-01 4.24 -4.692019454e-01 -4.692019454e-01 4.26 -4.545335719e-01 -4.545335719e-01 4.28 -4.403496617e-01 -4.403496617e-01 4.30 -4.266293438e-01 -4.266293438e-01 4.32 -4.133534148e-01 -4.133534148e-01 4.34 -4.005041143e-01 -4.005041143e-01 4.36 -3.880649320e-01 -3.880649320e-01 4.38 -3.760204455e-01 -3.760204455e-01 4.40 -3.643561817e-01 -3.643561817e-01 4.42 -3.530584999e-01 -3.530584999e-01 4.44 -3.421144935e-01 -3.421144935e-01 4.46 -3.315119079e-01 -3.315119079e-01 4.48 -3.212390695e-01 -3.212390695e-01 4.50 -3.112848274e-01 -3.112848274e-01 4.52 -3.016385026e-01 -3.016385026e-01 4.54 -2.922898444e-01 -2.922898444e-01 4.56 -2.832289931e-01 -2.832289931e-01 4.58 -2.744464470e-01 -2.744464470e-01 4.60 -2.659330345e-01 -2.659330345e-01 4.62 -2.576798880e-01 -2.576798880e-01 4.64 -2.496784212e-01 -2.496784212e-01 4.66 -2.419203094e-01 -2.419203094e-01 4.68 -2.343974704e-01 -2.343974704e-01 4.70 -2.271020481e-01 -2.271020481e-01 4.72 -2.200263976e-01 -2.200263976e-01 4.74 -2.131630715e-01 -2.131630715e-01 4.76 -2.065048081e-01 -2.065048081e-01 4.78 -2.000445206e-01 -2.000445206e-01 4.80 -1.937742973e-01 -1.937742973e-01 4.82 -1.876895216e-01 -1.876895216e-01 4.84 -1.817823889e-01 -1.817823889e-01 4.86 -1.760463787e-01 -1.760463787e-01 4.88 -1.704752031e-01 -1.704752031e-01 4.90 -1.650627360e-01 -1.650627360e-01 4.92 -1.598030095e-01 -1.598030095e-01 4.94 -1.546902251e-01 -1.546902251e-01 4.96 -1.497187694e-01 -1.497187694e-01 4.98 -1.448832339e-01 -1.448832339e-01 5.00 -1.401784395e-01 -1.401784395e-01 5.02 -1.355994658e-01 -1.355994658e-01 5.04 -1.311416841e-01 -1.311416841e-01 5.06 -1.268007946e-01 -1.268007946e-01 5.08 -1.225728601e-01 -1.225728601e-01 5.10 -1.184543443e-01 -1.184543443e-01 5.12 -1.144421446e-01 -1.144421446e-01 5.14 -1.105336186e-01 -1.105336186e-01 5.16 -1.067265989e-01 -1.067265989e-01 5.18 -1.030193940e-01 -1.030193940e-01 5.20 -9.941077234e-02 -9.941077234e-02 5.22 -9.589992571e-02 -9.589992571e-02 5.24 -9.248641300e-02 -9.248641300e-02 5.26 -8.917002143e-02 -8.917002143e-02 5.28 -8.595043155e-02 -8.595043155e-02 5.30 -8.282788275e-02 -8.282788275e-02 5.32 -7.980267033e-02 -7.980267033e-02 5.34 -7.687494254e-02 -7.687494254e-02 5.36 -7.404460435e-02 -7.404460435e-02 5.38 -7.131123823e-02 -7.131123823e-02 5.40 -6.867404568e-02 -6.867404568e-02 5.42 -6.613181107e-02 -6.613181107e-02 5.44 -6.368288689e-02 -6.368288689e-02 5.46 -6.132519784e-02 -6.132519784e-02 5.48 -5.905626030e-02 -5.905626030e-02 5.50 -5.687321355e-02 -5.687321355e-02 5.52 -5.477285916e-02 -5.477285916e-02 5.54 -5.275170589e-02 -5.275170589e-02 5.56 -5.080601978e-02 -5.080601978e-02 5.58 -4.893187524e-02 -4.893187524e-02 5.60 -4.712520799e-02 -4.712520799e-02 5.62 -4.538186845e-02 -4.538186845e-02 5.64 -4.369767482e-02 -4.369767482e-02 5.66 -4.206846438e-02 -4.206846438e-02 5.68 -4.049014238e-02 -4.049014238e-02 5.70 -3.895872751e-02 -3.895872751e-02 5.72 -3.747039350e-02 -3.747039350e-02 5.74 -3.602150679e-02 -3.602150679e-02 5.76 -3.460866043e-02 -3.460866043e-02 5.78 -3.322870436e-02 -3.322870436e-02 5.80 -3.187877149e-02 -3.187877149e-02 5.82 -3.055630346e-02 -3.055630346e-02 5.84 -2.925907327e-02 -2.925907327e-02 5.86 -2.798520572e-02 -2.798520572e-02 5.88 -2.673319527e-02 -2.673319527e-02 5.90 -2.550192080e-02 -2.550192080e-02 5.92 -2.429065622e-02 -2.429065622e-02 5.94 -2.309907546e-02 -2.309907546e-02 5.96 -2.192725053e-02 -2.192725053e-02 5.98 -2.077564103e-02 -2.077564103e-02 6.00 -1.964507390e-02 -1.964507390e-02