# 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 = Co2NiTi # 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 1.500804380e+02 1.500804380e+02 1.30 1.377583168e+02 1.377583168e+02 1.32 1.264190134e+02 1.264190134e+02 1.34 1.159778242e+02 1.159778242e+02 1.36 1.063587659e+02 1.063587659e+02 1.38 9.749454021e+01 9.749454021e+01 1.40 8.932497710e+01 8.932497710e+01 1.42 8.179524676e+01 8.179524676e+01 1.44 7.485460015e+01 7.485460015e+01 1.46 6.845584642e+01 6.845584642e+01 1.48 6.255538930e+01 6.255538930e+01 1.50 5.711333620e+01 5.711333620e+01 1.52 5.209329465e+01 5.209329465e+01 1.54 4.746198343e+01 4.746198343e+01 1.56 4.318894076e+01 4.318894076e+01 1.58 3.924629298e+01 3.924629298e+01 1.60 3.560847501e+01 3.560847501e+01 1.62 3.225196535e+01 3.225196535e+01 1.64 2.915507433e+01 2.915507433e+01 1.66 2.629773449e+01 2.629773449e+01 1.68 2.366148484e+01 2.366148484e+01 1.70 2.122976200e+01 2.122976200e+01 1.72 1.898796729e+01 1.898796729e+01 1.74 1.692141948e+01 1.692141948e+01 1.76 1.501654094e+01 1.501654094e+01 1.78 1.326087004e+01 1.326087004e+01 1.80 1.164308656e+01 1.164308656e+01 1.82 1.015302954e+01 1.015302954e+01 1.84 8.781613846e+00 8.781613846e+00 1.86 7.520633743e+00 7.520633743e+00 1.88 6.362511940e+00 6.362511940e+00 1.90 5.300069146e+00 5.300069146e+00 1.92 4.326369849e+00 4.326369849e+00 1.94 3.434676800e+00 3.434676800e+00 1.96 2.618512372e+00 2.618512372e+00 1.98 1.871780868e+00 1.871780868e+00 2.00 1.188880192e+00 1.188880192e+00 2.02 5.647495564e-01 5.647495564e-01 2.04 -5.155947872e-03 -5.155947872e-03 2.06 -5.249348490e-01 -5.249348490e-01 2.08 -9.983120125e-01 -9.983120125e-01 2.10 -1.428691458e+00 -1.428691458e+00 2.12 -1.819192619e+00 -1.819192619e+00 2.14 -2.172682539e+00 -2.172682539e+00 2.16 -2.491808924e+00 -2.491808924e+00 2.18 -2.779032408e+00 -2.779032408e+00 2.20 -3.036656742e+00 -3.036656742e+00 2.22 -3.266858032e+00 -3.266858032e+00 2.24 -3.471710617e+00 -3.471710617e+00 2.26 -3.653204154e+00 -3.653204154e+00 2.28 -3.813248355e+00 -3.813248355e+00 2.30 -3.953666763e+00 -3.953666763e+00 2.32 -4.076185036e+00 -4.076185036e+00 2.34 -4.182414788e+00 -4.182414788e+00 2.36 -4.273835212e+00 -4.273835212e+00 2.38 -4.351775930e+00 -4.351775930e+00 2.40 -4.417409251e+00 -4.417409251e+00 2.42 -4.471758034e+00 -4.471758034e+00 2.44 -4.515718560e+00 -4.515718560e+00 2.46 -4.550123898e+00 -4.550123898e+00 2.48 -4.575733859e+00 -4.575733859e+00 2.50 -4.593169431e+00 -4.593169431e+00 2.52 -4.603114530e+00 -4.603114530e+00 2.54 -4.606151843e+00 -4.606151843e+00 2.56 -4.602791182e+00 -4.602791182e+00 2.58 -4.593561996e+00 -4.593561996e+00 2.60 -4.578989926e+00 -4.578989926e+00 2.62 -4.559481388e+00 -4.559481388e+00 2.64 -4.535370438e+00 -4.535370438e+00 2.66 -4.506887858e+00 -4.506887858e+00 2.68 -4.474150705e+00 -4.474150705e+00 2.70 -4.437204502e+00 -4.437204502e+00 2.72 -4.396129014e+00 -4.396129014e+00 2.74 -4.351062584e+00 -4.351062584e+00 2.76 -4.302193052e+00 -4.302193052e+00 2.78 -4.249745168e+00 -4.249745168e+00 2.80 -4.193966034e+00 -4.193966034e+00 2.82 -4.135111049e+00 -4.135111049e+00 2.84 -4.073433691e+00 -4.073433691e+00 2.86 -4.009179919e+00 -4.009179919e+00 2.88 -3.942587060e+00 -3.942587060e+00 2.90 -3.873885820e+00 -3.873885820e+00 2.92 -3.803304021e+00 -3.803304021e+00 2.94 -3.731071202e+00 -3.731071202e+00 2.96 -3.657423642e+00 -3.657423642e+00 2.98 -3.582609232e+00 -3.582609232e+00 3.00 -3.506890789e+00 -3.506890789e+00 3.02 -3.430545653e+00 -3.430545653e+00 3.04 -3.353859584e+00 -3.353859584e+00 3.06 -3.277114940e+00 -3.277114940e+00 3.08 -3.200574789e+00 -3.200574789e+00 3.10 -3.124468144e+00 -3.124468144e+00 3.12 -3.048979904e+00 -3.048979904e+00 3.14 -2.974248476e+00 -2.974248476e+00 3.16 -2.900369946e+00 -2.900369946e+00 3.18 -2.827407221e+00 -2.827407221e+00 3.20 -2.755400353e+00 -2.755400353e+00 3.22 -2.684375850e+00 -2.684375850e+00 3.24 -2.614353667e+00 -2.614353667e+00 3.26 -2.545351596e+00 -2.545351596e+00 3.28 -2.477387433e+00 -2.477387433e+00 3.30 -2.410479576e+00 -2.410479576e+00 3.32 -2.344646655e+00 -2.344646655e+00 3.34 -2.279906747e+00 -2.279906747e+00 3.36 -2.216276547e+00 -2.216276547e+00 3.38 -2.153770774e+00 -2.153770774e+00 3.40 -2.092401951e+00 -2.092401951e+00 3.42 -2.032180730e+00 -2.032180730e+00 3.44 -1.973116491e+00 -1.973116491e+00 3.46 -1.915218421e+00 -1.915218421e+00 3.48 -1.858496596e+00 -1.858496596e+00 3.50 -1.802962826e+00 -1.802962826e+00 3.52 -1.748630890e+00 -1.748630890e+00 3.54 -1.695515863e+00 -1.695515863e+00 3.56 -1.643632412e+00 -1.643632412e+00 3.58 -1.592992271e+00 -1.592992271e+00 3.60 -1.543601387e+00 -1.543601387e+00 3.62 -1.495457419e+00 -1.495457419e+00 3.64 -1.448548248e+00 -1.448548248e+00 3.66 -1.402851890e+00 -1.402851890e+00 3.68 -1.358337858e+00 -1.358337858e+00 3.70 -1.314969668e+00 -1.314969668e+00 3.72 -1.272708027e+00 -1.272708027e+00 3.74 -1.231514156e+00 -1.231514156e+00 3.76 -1.191352833e+00 -1.191352833e+00 3.78 -1.152194823e+00 -1.152194823e+00 3.80 -1.114018477e+00 -1.114018477e+00 3.82 -1.076810401e+00 -1.076810401e+00 3.84 -1.040565144e+00 -1.040565144e+00 3.86 -1.005283945e+00 -1.005283945e+00 3.88 -9.709726844e-01 -9.709726844e-01 3.90 -9.376392643e-01 -9.376392643e-01 3.92 -9.052907405e-01 -9.052907405e-01 3.94 -8.739307074e-01 -8.739307074e-01 3.96 -8.435569370e-01 -8.435569370e-01 3.98 -8.141600180e-01 -8.141600180e-01 4.00 -7.857227304e-01 -7.857227304e-01 4.02 -7.582202807e-01 -7.582202807e-01 4.04 -7.316212214e-01 -7.316212214e-01 4.06 -7.058888398e-01 -7.058888398e-01 4.08 -6.809827961e-01 -6.809827961e-01 4.10 -6.568607680e-01 -6.568607680e-01 4.12 -6.334803315e-01 -6.334803315e-01 4.14 -6.108000650e-01 -6.108000650e-01 4.16 -5.887811264e-01 -5.887811264e-01 4.18 -5.673882738e-01 -5.673882738e-01 4.20 -5.465907247e-01 -5.465907247e-01 4.22 -5.263627464e-01 -5.263627464e-01 4.24 -5.066839385e-01 -5.066839385e-01 4.26 -4.875391751e-01 -4.875391751e-01 4.28 -4.689181992e-01 -4.689181992e-01 4.30 -4.508149115e-01 -4.508149115e-01 4.32 -4.332264423e-01 -4.332264423e-01 4.34 -4.161521413e-01 -4.161521413e-01 4.36 -3.995926295e-01 -3.995926295e-01 4.38 -3.835490272e-01 -3.835490272e-01 4.40 -3.680224153e-01 -3.680224153e-01 4.42 -3.530135069e-01 -3.530135069e-01 4.44 -3.385224457e-01 -3.385224457e-01 4.46 -3.245486211e-01 -3.245486211e-01 4.48 -3.110903986e-01 -3.110903986e-01 4.50 -2.981447181e-01 -2.981447181e-01 4.52 -2.857065700e-01 -2.857065700e-01 4.54 -2.737684192e-01 -2.737684192e-01 4.56 -2.623196790e-01 -2.623196790e-01 4.58 -2.513463376e-01 -2.513463376e-01 4.60 -2.408308169e-01 -2.408308169e-01 4.62 -2.307521018e-01 -2.307521018e-01 4.64 -2.210861328e-01 -2.210861328e-01 4.66 -2.118064213e-01 -2.118064213e-01 4.68 -2.028848268e-01 -2.028848268e-01 4.70 -1.942924277e-01 -1.942924277e-01 4.72 -1.860004294e-01 -1.860004294e-01 4.74 -1.779810627e-01 -1.779810627e-01 4.76 -1.702084426e-01 -1.702084426e-01 4.78 -1.626593654e-01 -1.626593654e-01 4.80 -1.553139855e-01 -1.553139855e-01 4.82 -1.481566087e-01 -1.481566087e-01 4.84 -1.411759131e-01 -1.411759131e-01 4.86 -1.343654683e-01 -1.343654683e-01 4.88 -1.277238060e-01 -1.277238060e-01 4.90 -1.212542889e-01 -1.212542889e-01 4.92 -1.149646932e-01 -1.149646932e-01 4.94 -1.088664948e-01 -1.088664948e-01 4.96 -1.029738792e-01 -1.029738792e-01 4.98 -9.730253446e-02 -9.730253446e-02 5.00 -9.186832284e-02 -9.186832284e-02 5.02 -8.668594952e-02 -8.668594952e-02 5.04 -8.176775303e-02 -8.176775303e-02 5.06 -7.712272848e-02 -7.712272848e-02 5.08 -7.275572882e-02 -7.275572882e-02 5.10 -6.866732808e-02 -6.866732808e-02 5.12 -6.485405827e-02 -6.485405827e-02 5.14 -6.130841185e-02 -6.130841185e-02 5.16 -5.801940207e-02 -5.801940207e-02 5.18 -5.497320204e-02 -5.497320204e-02 5.20 -5.215385472e-02 -5.215385472e-02 5.22 -4.954445652e-02 -4.954445652e-02 5.24 -4.712744577e-02 -4.712744577e-02 5.26 -4.488516306e-02 -4.488516306e-02 5.28 -4.280033058e-02 -4.280033058e-02 5.30 -4.085640573e-02 -4.085640573e-02 5.32 -3.903782046e-02 -3.903782046e-02 5.34 -3.733012323e-02 -3.733012323e-02 5.36 -3.572004339e-02 -3.572004339e-02 5.38 -3.419549735e-02 -3.419549735e-02 5.40 -3.274555450e-02 -3.274555450e-02 5.42 -3.136037805e-02 -3.136037805e-02 5.44 -3.003115339e-02 -3.003115339e-02 5.46 -2.875001365e-02 -2.875001365e-02 5.48 -2.750996984e-02 -2.750996984e-02 5.50 -2.630485069e-02 -2.630485069e-02 5.52 -2.512925559e-02 -2.512925559e-02 5.54 -2.397852240e-02 -2.397852240e-02 5.56 -2.284871022e-02 -2.284871022e-02 5.58 -2.173659628e-02 -2.173659628e-02 5.60 -2.063968454e-02 -2.063968454e-02 5.62 -1.955622191e-02 -1.955622191e-02 5.64 -1.848521709e-02 -1.848521709e-02 5.66 -1.742645556e-02 -1.742645556e-02 5.68 -1.638050359e-02 -1.638050359e-02 5.70 -1.534869372e-02 -1.534869372e-02 5.72 -1.433308480e-02 -1.433308480e-02 5.74 -1.333639095e-02 -1.333639095e-02 5.76 -1.236187484e-02 -1.236187484e-02 5.78 -1.141310791e-02 -1.141310791e-02 5.80 -1.049399070e-02 -1.049399070e-02 5.82 -9.608553156e-03 -9.608553156e-03 5.84 -8.760680916e-03 -8.760680916e-03 5.86 -7.953924653e-03 -7.953924653e-03 5.88 -7.191330068e-03 -7.191330068e-03 5.90 -6.475301218e-03 -6.475301218e-03 5.92 -5.807506403e-03 -5.807506403e-03 5.94 -5.188831210e-03 -5.188831210e-03 5.96 -4.619378450e-03 -4.619378450e-03 5.98 -4.098510257e-03 -4.098510257e-03 6.00 -3.624924284e-03 -3.624924284e-03