# 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 = CoCuPt2 # 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 2.474498696e+02 2.474498696e+02 1.30 2.296987274e+02 2.296987274e+02 1.32 2.131473540e+02 2.131473540e+02 1.34 1.977172212e+02 1.977172212e+02 1.36 1.833329700e+02 1.833329700e+02 1.38 1.699193552e+02 1.699193552e+02 1.40 1.574032410e+02 1.574032410e+02 1.42 1.457171015e+02 1.457171015e+02 1.44 1.347995122e+02 1.347995122e+02 1.46 1.245945344e+02 1.245945344e+02 1.48 1.150525612e+02 1.150525612e+02 1.50 1.061302156e+02 1.061302156e+02 1.52 9.778733609e+01 9.778733609e+01 1.54 8.998336179e+01 8.998336179e+01 1.56 8.267606172e+01 8.267606172e+01 1.58 7.582274384e+01 7.582274384e+01 1.60 6.938224174e+01 6.938224174e+01 1.62 6.331656985e+01 6.331656985e+01 1.64 5.759225362e+01 5.759225362e+01 1.66 5.218147444e+01 5.218147444e+01 1.68 4.706270042e+01 4.706270042e+01 1.70 4.224598523e+01 4.224598523e+01 1.72 3.781984198e+01 3.781984198e+01 1.74 3.377107266e+01 3.377107266e+01 1.76 3.007437957e+01 3.007437957e+01 1.78 2.670334132e+01 2.670334132e+01 1.80 2.363087360e+01 2.363087360e+01 1.82 2.083073240e+01 2.083073240e+01 1.84 1.827900544e+01 1.827900544e+01 1.86 1.595484110e+01 1.595484110e+01 1.88 1.384017506e+01 1.384017506e+01 1.90 1.191870739e+01 1.191870739e+01 1.92 1.017476620e+01 1.017476620e+01 1.94 8.592728960e+00 8.592728960e+00 1.96 7.157235507e+00 7.157235507e+00 1.98 5.853856480e+00 5.853856480e+00 2.00 4.669675920e+00 4.669675920e+00 2.02 3.593492061e+00 3.593492061e+00 2.04 2.615681132e+00 2.615681132e+00 2.06 1.727909670e+00 1.727909670e+00 2.08 9.228354744e-01 9.228354744e-01 2.10 1.938547916e-01 1.938547916e-01 2.12 -4.650879626e-01 -4.650879626e-01 2.14 -1.059620807e+00 -1.059620807e+00 2.16 -1.594994704e+00 -1.594994704e+00 2.18 -2.076079490e+00 -2.076079490e+00 2.20 -2.507335199e+00 -2.507335199e+00 2.22 -2.892788907e+00 -2.892788907e+00 2.24 -3.236034663e+00 -3.236034663e+00 2.26 -3.540260262e+00 -3.540260262e+00 2.28 -3.808296756e+00 -3.808296756e+00 2.30 -4.042683038e+00 -4.042683038e+00 2.32 -4.245735291e+00 -4.245735291e+00 2.34 -4.419610321e+00 -4.419610321e+00 2.36 -4.566355803e+00 -4.566355803e+00 2.38 -4.687947334e+00 -4.687947334e+00 2.40 -4.786317322e+00 -4.786317322e+00 2.42 -4.863955413e+00 -4.863955413e+00 2.44 -4.925211936e+00 -4.925211936e+00 2.46 -4.971480364e+00 -4.971480364e+00 2.48 -5.003900013e+00 -5.003900013e+00 2.50 -5.023756895e+00 -5.023756895e+00 2.52 -5.032442293e+00 -5.032442293e+00 2.54 -5.031392923e+00 -5.031392923e+00 2.56 -5.022013703e+00 -5.022013703e+00 2.58 -5.005594163e+00 -5.005594163e+00 2.60 -4.983272982e+00 -4.983272982e+00 2.62 -4.955902093e+00 -4.955902093e+00 2.64 -4.924069544e+00 -4.924069544e+00 2.66 -4.888167624e+00 -4.888167624e+00 2.68 -4.848439090e+00 -4.848439090e+00 2.70 -4.805028413e+00 -4.805028413e+00 2.72 -4.758025323e+00 -4.758025323e+00 2.74 -4.707616588e+00 -4.707616588e+00 2.76 -4.653896511e+00 -4.653896511e+00 2.78 -4.596733569e+00 -4.596733569e+00 2.80 -4.536012905e+00 -4.536012905e+00 2.82 -4.471664810e+00 -4.471664810e+00 2.84 -4.403669095e+00 -4.403669095e+00 2.86 -4.332064539e+00 -4.332064539e+00 2.88 -4.256964972e+00 -4.256964972e+00 2.90 -4.178578434e+00 -4.178578434e+00 2.92 -4.097224456e+00 -4.097224456e+00 2.94 -4.013350871e+00 -4.013350871e+00 2.96 -3.927523965e+00 -3.927523965e+00 2.98 -3.840393825e+00 -3.840393825e+00 3.00 -3.752650867e+00 -3.752650867e+00 3.02 -3.664971655e+00 -3.664971655e+00 3.04 -3.577964432e+00 -3.577964432e+00 3.06 -3.492125671e+00 -3.492125671e+00 3.08 -3.407815273e+00 -3.407815273e+00 3.10 -3.325252562e+00 -3.325252562e+00 3.12 -3.244529633e+00 -3.244529633e+00 3.14 -3.165635713e+00 -3.165635713e+00 3.16 -3.088485596e+00 -3.088485596e+00 3.18 -3.012946846e+00 -3.012946846e+00 3.20 -2.938862591e+00 -2.938862591e+00 3.22 -2.866094606e+00 -2.866094606e+00 3.24 -2.794605230e+00 -2.794605230e+00 3.26 -2.724363871e+00 -2.724363871e+00 3.28 -2.655328141e+00 -2.655328141e+00 3.30 -2.587454031e+00 -2.587454031e+00 3.32 -2.520702772e+00 -2.520702772e+00 3.34 -2.455045182e+00 -2.455045182e+00 3.36 -2.390463990e+00 -2.390463990e+00 3.38 -2.326954463e+00 -2.326954463e+00 3.40 -2.264523630e+00 -2.264523630e+00 3.42 -2.203188430e+00 -2.203188430e+00 3.44 -2.142973080e+00 -2.142973080e+00 3.46 -2.083906067e+00 -2.083906067e+00 3.48 -2.026017068e+00 -2.026017068e+00 3.50 -1.969334064e+00 -1.969334064e+00 3.52 -1.913880868e+00 -1.913880868e+00 3.54 -1.859675173e+00 -1.859675173e+00 3.56 -1.806727181e+00 -1.806727181e+00 3.58 -1.755038820e+00 -1.755038820e+00 3.60 -1.704603527e+00 -1.704603527e+00 3.62 -1.655406546e+00 -1.655406546e+00 3.64 -1.607425699e+00 -1.607425699e+00 3.66 -1.560632571e+00 -1.560632571e+00 3.68 -1.514994029e+00 -1.514994029e+00 3.70 -1.470473986e+00 -1.470473986e+00 3.72 -1.427035294e+00 -1.427035294e+00 3.74 -1.384641606e+00 -1.384641606e+00 3.76 -1.343259037e+00 -1.343259037e+00 3.78 -1.302857457e+00 -1.302857457e+00 3.80 -1.263411247e+00 -1.263411247e+00 3.82 -1.224899428e+00 -1.224899428e+00 3.84 -1.187305142e+00 -1.187305142e+00 3.86 -1.150614585e+00 -1.150614585e+00 3.88 -1.114815578e+00 -1.114815578e+00 3.90 -1.079896038e+00 -1.079896038e+00 3.92 -1.045842641e+00 -1.045842641e+00 3.94 -1.012639920e+00 -1.012639920e+00 3.96 -9.802699349e-01 -9.802699349e-01 3.98 -9.487126075e-01 -9.487126075e-01 4.00 -9.179466117e-01 -9.179466117e-01 4.02 -8.879507007e-01 -8.879507007e-01 4.04 -8.587052548e-01 -8.587052548e-01 4.06 -8.301938279e-01 -8.301938279e-01 4.08 -8.024044705e-01 -8.024044705e-01 4.10 -7.753306248e-01 -7.753306248e-01 4.12 -7.489714702e-01 -7.489714702e-01 4.14 -7.233315399e-01 -7.233315399e-01 4.16 -6.984197141e-01 -6.984197141e-01 4.18 -6.742475777e-01 -6.742475777e-01 4.20 -6.508273544e-01 -6.508273544e-01 4.22 -6.281696518e-01 -6.281696518e-01 4.24 -6.062812895e-01 -6.062812895e-01 4.26 -5.851634602e-01 -5.851634602e-01 4.28 -5.648104067e-01 -5.648104067e-01 4.30 -5.452087005e-01 -5.452087005e-01 4.32 -5.263371137e-01 -5.263371137e-01 4.34 -5.081669967e-01 -5.081669967e-01 4.36 -4.906630347e-01 -4.906630347e-01 4.38 -4.737842379e-01 -4.737842379e-01 4.40 -4.574850373e-01 -4.574850373e-01 4.42 -4.417163796e-01 -4.417163796e-01 4.44 -4.264267504e-01 -4.264267504e-01 4.46 -4.115630873e-01 -4.115630873e-01 4.48 -3.970715788e-01 -3.970715788e-01 4.50 -3.828983725e-01 -3.828983725e-01 4.52 -3.689902356e-01 -3.689902356e-01 4.54 -3.552952188e-01 -3.552952188e-01 4.56 -3.417633769e-01 -3.417633769e-01 4.58 -3.283475906e-01 -3.283475906e-01 4.60 -3.150045188e-01 -3.150045188e-01 4.62 -3.016956970e-01 -3.016956970e-01 4.64 -2.883887713e-01 -2.883887713e-01 4.66 -2.750588385e-01 -2.750588385e-01 4.68 -2.616898318e-01 -2.616898318e-01 4.70 -2.482758649e-01 -2.482758649e-01 4.72 -2.348224171e-01 -2.348224171e-01 4.74 -2.213472196e-01 -2.213472196e-01 4.76 -2.078806884e-01 -2.078806884e-01 4.78 -1.944657584e-01 -1.944657584e-01 4.80 -1.811569971e-01 -1.811569971e-01 4.82 -1.680189404e-01 -1.680189404e-01 4.84 -1.551236585e-01 -1.551236585e-01 4.86 -1.425476823e-01 -1.425476823e-01 4.88 -1.303684584e-01 -1.303684584e-01 4.90 -1.186606336e-01 -1.186606336e-01 4.92 -1.074924770e-01 -1.074924770e-01 4.94 -9.692274523e-02 -9.692274523e-02 4.96 -8.699824855e-02 -8.699824855e-02 4.98 -7.775300754e-02 -7.775300754e-02 5.00 -6.920631478e-02 -6.920631478e-02 5.02 -6.136288179e-02 -6.136288179e-02 5.04 -5.421469581e-02 -5.421469581e-02 5.06 -4.774259326e-02 -4.774259326e-02 5.08 -4.191819750e-02 -4.191819750e-02 5.10 -3.670601842e-02 -3.670601842e-02 5.12 -3.206553955e-02 -3.206553955e-02 5.14 -2.795315909e-02 -2.795315909e-02 5.16 -2.432389536e-02 -2.432389536e-02 5.18 -2.113280826e-02 -2.113280826e-02 5.20 -1.833612004e-02 -1.833612004e-02 5.22 -1.589205293e-02 -1.589205293e-02 5.24 -1.376140631e-02 -1.376140631e-02 5.26 -1.190782580e-02 -1.190782580e-02 5.28 -1.029787771e-02 -1.029787771e-02 5.30 -8.901790890e-03 -8.901790890e-03 5.32 -7.692788824e-03 -7.692788824e-03 5.34 -6.646932472e-03 -6.646932472e-03 5.36 -5.742974337e-03 -5.742974337e-03 5.38 -4.962167984e-03 -4.962167984e-03 5.40 -4.288054755e-03 -4.288054755e-03 5.42 -3.706243115e-03 -3.706243115e-03 5.44 -3.204191127e-03 -3.204191127e-03 5.46 -2.770998875e-03 -2.770998875e-03 5.48 -2.397214923e-03 -2.397214923e-03 5.50 -2.074658981e-03 -2.074658981e-03 5.52 -1.796261527e-03 -1.796261527e-03 5.54 -1.555920300e-03 -1.555920300e-03 5.56 -1.348372921e-03 -1.348372921e-03 5.58 -1.169084585e-03 -1.169084585e-03 5.60 -1.014149568e-03 -1.014149568e-03 5.62 -8.802052403e-04 -8.802052403e-04 5.64 -7.643572427e-04 -7.643572427e-04 5.66 -6.641145897e-04 -6.641145897e-04 5.68 -5.773335003e-04 -5.773335003e-04 5.70 -5.021688850e-04 -5.021688850e-04 5.72 -4.370325078e-04 -4.370325078e-04 5.74 -3.805569518e-04 -3.805569518e-04 5.76 -3.315646120e-04 -3.315646120e-04 5.78 -2.890410372e-04 -2.890410372e-04 5.80 -2.521120210e-04 -2.521120210e-04 5.82 -2.200239263e-04 -2.200239263e-04 5.84 -1.921267881e-04 -1.921267881e-04 5.86 -1.678598076e-04 -1.678598076e-04 5.88 -1.467388976e-04 -1.467388976e-04 5.90 -1.283459899e-04 -1.283459899e-04 5.92 -1.123198542e-04 -1.123198542e-04 5.94 -9.834821318e-05 -9.834821318e-05 5.96 -8.616096963e-05 -8.616096963e-05 5.98 -7.552438669e-05 -7.552438669e-05 6.00 -6.623608586e-05 -6.623608586e-05