# 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 = AlPt2Ta # 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 3.523948847e+02 3.523948847e+02 1.30 3.294844418e+02 3.294844418e+02 1.32 3.080989231e+02 3.080989231e+02 1.34 2.881327213e+02 2.881327213e+02 1.36 2.694779671e+02 2.694779671e+02 1.38 2.520257165e+02 2.520257165e+02 1.40 2.356721954e+02 2.356721954e+02 1.42 2.203259498e+02 2.203259498e+02 1.44 2.059101401e+02 2.059101401e+02 1.46 1.923610804e+02 1.923610804e+02 1.48 1.796265691e+02 1.796265691e+02 1.50 1.676632197e+02 1.676632197e+02 1.52 1.564314972e+02 1.564314972e+02 1.54 1.458906331e+02 1.458906331e+02 1.56 1.359961106e+02 1.359961106e+02 1.58 1.267000779e+02 1.267000779e+02 1.60 1.179535233e+02 1.179535233e+02 1.62 1.097091096e+02 1.097091096e+02 1.64 1.019239492e+02 1.019239492e+02 1.66 9.456167398e+01 9.456167398e+01 1.68 8.759317743e+01 8.759317743e+01 1.70 8.099576754e+01 8.099576754e+01 1.72 7.475101719e+01 7.475101719e+01 1.74 6.884194282e+01 6.884194282e+01 1.76 6.325038382e+01 6.325038382e+01 1.78 5.795572216e+01 5.795572216e+01 1.80 5.293808652e+01 5.293808652e+01 1.82 4.817577385e+01 4.817577385e+01 1.84 4.364906202e+01 4.364906202e+01 1.86 3.941464636e+01 3.941464636e+01 1.88 3.549691156e+01 3.549691156e+01 1.90 3.187676169e+01 3.187676169e+01 1.92 2.853730258e+01 2.853730258e+01 1.94 2.546252471e+01 2.546252471e+01 1.96 2.263674392e+01 2.263674392e+01 1.98 2.004465131e+01 2.004465131e+01 2.00 1.767138942e+01 1.767138942e+01 2.02 1.550237466e+01 1.550237466e+01 2.04 1.352301604e+01 1.352301604e+01 2.06 1.171860834e+01 1.171860834e+01 2.08 1.007450373e+01 1.007450373e+01 2.10 8.576454598e+00 8.576454598e+00 2.12 7.210956954e+00 7.210956954e+00 2.14 5.965492572e+00 5.965492572e+00 2.16 4.828659313e+00 4.828659313e+00 2.18 3.790221656e+00 3.790221656e+00 2.20 2.841106925e+00 2.841106925e+00 2.22 1.973355223e+00 1.973355223e+00 2.24 1.180026688e+00 1.180026688e+00 2.26 4.550767328e-01 4.550767328e-01 2.28 -2.067835525e-01 -2.067835525e-01 2.30 -8.102242640e-01 -8.102242640e-01 2.32 -1.359417838e+00 -1.359417838e+00 2.34 -1.858137897e+00 -1.858137897e+00 2.36 -2.309835438e+00 -2.309835438e+00 2.38 -2.717697278e+00 -2.717697278e+00 2.40 -3.084694376e+00 -3.084694376e+00 2.42 -3.413626778e+00 -3.413626778e+00 2.44 -3.707167653e+00 -3.707167653e+00 2.46 -3.967903962e+00 -3.967903962e+00 2.48 -4.198368466e+00 -4.198368466e+00 2.50 -4.401057816e+00 -4.401057816e+00 2.52 -4.578386611e+00 -4.578386611e+00 2.54 -4.732699976e+00 -4.732699976e+00 2.56 -4.866422154e+00 -4.866422154e+00 2.58 -4.981810390e+00 -4.981810390e+00 2.60 -5.080898527e+00 -5.080898527e+00 2.62 -5.165466333e+00 -5.165466333e+00 2.64 -5.237030378e+00 -5.237030378e+00 2.66 -5.298055435e+00 -5.298055435e+00 2.68 -5.350717652e+00 -5.350717652e+00 2.70 -5.395154487e+00 -5.395154487e+00 2.72 -5.431413435e+00 -5.431413435e+00 2.74 -5.459546467e+00 -5.459546467e+00 2.76 -5.479615617e+00 -5.479615617e+00 2.78 -5.491697221e+00 -5.491697221e+00 2.80 -5.495885843e+00 -5.495885843e+00 2.82 -5.492298549e+00 -5.492298549e+00 2.84 -5.481080962e+00 -5.481080962e+00 2.86 -5.462416182e+00 -5.462416182e+00 2.88 -5.436536989e+00 -5.436536989e+00 2.90 -5.403740336e+00 -5.403740336e+00 2.92 -5.364401366e+00 -5.364401366e+00 2.94 -5.318982686e+00 -5.318982686e+00 2.96 -5.268130782e+00 -5.268130782e+00 2.98 -5.213052496e+00 -5.213052496e+00 3.00 -5.154316089e+00 -5.154316089e+00 3.02 -5.092380347e+00 -5.092380347e+00 3.04 -5.027694428e+00 -5.027694428e+00 3.06 -4.960660762e+00 -4.960660762e+00 3.08 -4.891610082e+00 -4.891610082e+00 3.10 -4.820790758e+00 -4.820790758e+00 3.12 -4.748371033e+00 -4.748371033e+00 3.14 -4.674459842e+00 -4.674459842e+00 3.16 -4.599123823e+00 -4.599123823e+00 3.18 -4.522390530e+00 -4.522390530e+00 3.20 -4.444265258e+00 -4.444265258e+00 3.22 -4.364747211e+00 -4.364747211e+00 3.24 -4.283843377e+00 -4.283843377e+00 3.26 -4.201579605e+00 -4.201579605e+00 3.28 -4.118008503e+00 -4.118008503e+00 3.30 -4.033213839e+00 -4.033213839e+00 3.32 -3.947311275e+00 -3.947311275e+00 3.34 -3.860445500e+00 -3.860445500e+00 3.36 -3.772784207e+00 -3.772784207e+00 3.38 -3.684509676e+00 -3.684509676e+00 3.40 -3.595809067e+00 -3.595809067e+00 3.42 -3.506864612e+00 -3.506864612e+00 3.44 -3.417844800e+00 -3.417844800e+00 3.46 -3.328897475e+00 -3.328897475e+00 3.48 -3.240145293e+00 -3.240145293e+00 3.50 -3.151683720e+00 -3.151683720e+00 3.52 -3.063581380e+00 -3.063581380e+00 3.54 -2.975882384e+00 -2.975882384e+00 3.56 -2.888610234e+00 -2.888610234e+00 3.58 -2.801802572e+00 -2.801802572e+00 3.60 -2.715597484e+00 -2.715597484e+00 3.62 -2.630144379e+00 -2.630144379e+00 3.64 -2.545582327e+00 -2.545582327e+00 3.66 -2.462046263e+00 -2.462046263e+00 3.68 -2.379671851e+00 -2.379671851e+00 3.70 -2.298598758e+00 -2.298598758e+00 3.72 -2.218972121e+00 -2.218972121e+00 3.74 -2.140942075e+00 -2.140942075e+00 3.76 -2.064661353e+00 -2.064661353e+00 3.78 -1.990281130e+00 -1.990281130e+00 3.80 -1.917945477e+00 -1.917945477e+00 3.82 -1.847784998e+00 -1.847784998e+00 3.84 -1.779910348e+00 -1.779910348e+00 3.86 -1.714406373e+00 -1.714406373e+00 3.88 -1.651327581e+00 -1.651327581e+00 3.90 -1.590695467e+00 -1.590695467e+00 3.92 -1.532497977e+00 -1.532497977e+00 3.94 -1.476691166e+00 -1.476691166e+00 3.96 -1.423202722e+00 -1.423202722e+00 3.98 -1.371937063e+00 -1.371937063e+00 4.00 -1.322781372e+00 -1.322781372e+00 4.02 -1.275612057e+00 -1.275612057e+00 4.04 -1.230301120e+00 -1.230301120e+00 4.06 -1.186721996e+00 -1.186721996e+00 4.08 -1.144754541e+00 -1.144754541e+00 4.10 -1.104288917e+00 -1.104288917e+00 4.12 -1.065228324e+00 -1.065228324e+00 4.14 -1.027490345e+00 -1.027490345e+00 4.16 -9.910072152e-01 -9.910072152e-01 4.18 -9.557249450e-01 -9.557249450e-01 4.20 -9.216016141e-01 -9.216016141e-01 4.22 -8.886050757e-01 -8.886050757e-01 4.24 -8.567103663e-01 -8.567103663e-01 4.26 -8.258970719e-01 -8.258970719e-01 4.28 -7.961468370e-01 -7.961468370e-01 4.30 -7.674411230e-01 -7.674411230e-01 4.32 -7.397592513e-01 -7.397592513e-01 4.34 -7.130767299e-01 -7.130767299e-01 4.36 -6.873638627e-01 -6.873638627e-01 4.38 -6.625846641e-01 -6.625846641e-01 4.40 -6.386961242e-01 -6.386961242e-01 4.42 -6.156478825e-01 -6.156478825e-01 4.44 -5.933823489e-01 -5.933823489e-01 4.46 -5.718352778e-01 -5.718352778e-01 4.48 -5.509367562e-01 -5.509367562e-01 4.50 -5.306125343e-01 -5.306125343e-01 4.52 -5.107856080e-01 -5.107856080e-01 4.54 -4.913779667e-01 -4.913779667e-01 4.56 -4.723124364e-01 -4.723124364e-01 4.58 -4.535145729e-01 -4.535145729e-01 4.60 -4.349145850e-01 -4.349145850e-01 4.62 -4.164492806e-01 -4.164492806e-01 4.64 -3.980640311e-01 -3.980640311e-01 4.66 -3.797147365e-01 -3.797147365e-01 4.68 -3.613697477e-01 -3.613697477e-01 4.70 -3.430116632e-01 -3.430116632e-01 4.72 -3.246388797e-01 -3.246388797e-01 4.74 -3.062667370e-01 -3.062667370e-01 4.76 -2.879280740e-01 -2.879280740e-01 4.78 -2.696730145e-01 -2.696730145e-01 4.80 -2.515678245e-01 -2.515678245e-01 4.82 -2.336927958e-01 -2.336927958e-01 4.84 -2.161390701e-01 -2.161390701e-01 4.86 -1.990046722e-01 -1.990046722e-01 4.88 -1.823898982e-01 -1.823898982e-01 4.90 -1.663924488e-01 -1.663924488e-01 4.92 -1.511027008e-01 -1.511027008e-01 4.94 -1.365995123e-01 -1.365995123e-01 4.96 -1.229468968e-01 -1.229468968e-01 4.98 -1.101917912e-01 -1.101917912e-01 5.00 -9.836301236e-02 -9.836301236e-02 5.02 -8.747136216e-02 -8.747136216e-02 5.04 -7.751073114e-02 -7.751073114e-02 5.06 -6.845997498e-02 -6.845997498e-02 5.08 -6.028530477e-02 -6.028530477e-02 5.10 -5.294293452e-02 -5.294293452e-02 5.12 -4.638176124e-02 -4.638176124e-02 5.14 -4.054589914e-02 -4.054589914e-02 5.16 -3.537693965e-02 -3.537693965e-02 5.18 -3.081588741e-02 -3.081588741e-02 5.20 -2.680471965e-02 -2.680471965e-02 5.22 -2.328756538e-02 -2.328756538e-02 5.24 -2.021156368e-02 -2.021156368e-02 5.26 -1.752738148e-02 -1.752738148e-02 5.28 -1.519037715e-02 -1.519037715e-02 5.30 -1.315909342e-02 -1.315909342e-02 5.32 -1.139568918e-02 -1.139568918e-02 5.34 -9.866397298e-03 -9.866397298e-03 5.36 -8.541251943e-03 -8.541251943e-03 5.38 -7.393783847e-03 -7.393783847e-03 5.40 -6.400704310e-03 -6.400704310e-03 5.42 -5.541592061e-03 -5.541592061e-03 5.44 -4.798592041e-03 -4.798592041e-03 5.46 -4.156131804e-03 -4.156131804e-03 5.48 -3.600658746e-03 -3.600658746e-03 5.50 -3.120399697e-03 -3.120399697e-03 5.52 -2.705143183e-03 -2.705143183e-03 5.54 -2.346043861e-03 -2.346043861e-03 5.56 -2.035448113e-03 -2.035448113e-03 5.58 -1.766739402e-03 -1.766739402e-03 5.60 -1.534201862e-03 -1.534201862e-03 5.62 -1.332900471e-03 -1.332900471e-03 5.64 -1.158576184e-03 -1.158576184e-03 5.66 -1.007554442e-03 -1.007554442e-03 5.68 -8.766655618e-04 -8.766655618e-04 5.70 -7.631756215e-04 -7.631756215e-04 5.72 -6.647265681e-04 -6.647265681e-04 5.74 -5.792844032e-04 -5.792844032e-04 5.76 -5.050944137e-04 -5.050944137e-04 5.78 -4.406425312e-04 -4.406425312e-04 5.80 -3.846220120e-04 -3.846220120e-04 5.82 -3.359047234e-04 -3.359047234e-04 5.84 -2.935164128e-04 -2.935164128e-04 5.86 -2.566154160e-04 -2.566154160e-04 5.88 -2.244743308e-04 -2.244743308e-04 5.90 -1.964642456e-04 -1.964642456e-04 5.92 -1.720411682e-04 -1.720411682e-04 5.94 -1.507343463e-04 -1.507343463e-04 5.96 -1.321362168e-04 -1.321362168e-04 5.98 -1.158937546e-04 -1.158937546e-04 6.00 -1.017010241e-04 -1.017010241e-04