# 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 = FePt2Zr # 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 3.965237698e+02 3.965237698e+02 1.30 3.697271238e+02 3.697271238e+02 1.32 3.447553645e+02 3.447553645e+02 1.34 3.214780263e+02 3.214780263e+02 1.36 2.997740358e+02 2.997740358e+02 1.38 2.795295893e+02 2.795295893e+02 1.40 2.606381061e+02 2.606381061e+02 1.42 2.430020393e+02 2.430020393e+02 1.44 2.265321535e+02 2.265321535e+02 1.46 2.111443655e+02 2.111443655e+02 1.48 1.967586383e+02 1.967586383e+02 1.50 1.833006856e+02 1.833006856e+02 1.52 1.707030803e+02 1.707030803e+02 1.54 1.589038008e+02 1.589038008e+02 1.56 1.478440449e+02 1.478440449e+02 1.58 1.374665752e+02 1.374665752e+02 1.60 1.277155939e+02 1.277155939e+02 1.62 1.185379089e+02 1.185379089e+02 1.64 1.098852084e+02 1.098852084e+02 1.66 1.017163565e+02 1.017163565e+02 1.68 9.399897370e+01 9.399897370e+01 1.70 8.670931808e+01 8.670931808e+01 1.72 7.983015898e+01 7.983015898e+01 1.74 7.334703234e+01 7.334703234e+01 1.76 6.724430215e+01 6.724430215e+01 1.78 6.150275530e+01 6.150275530e+01 1.80 5.609979934e+01 5.609979934e+01 1.82 5.101170918e+01 5.101170918e+01 1.84 4.621662019e+01 4.621662019e+01 1.86 4.169583045e+01 4.169583045e+01 1.88 3.746227254e+01 3.746227254e+01 1.90 3.358303301e+01 3.358303301e+01 1.92 3.003685677e+01 3.003685677e+01 1.94 2.679586479e+01 2.679586479e+01 1.96 2.383237014e+01 2.383237014e+01 1.98 2.111988400e+01 2.111988400e+01 2.00 1.863419228e+01 1.863419228e+01 2.02 1.635393426e+01 1.635393426e+01 2.04 1.426064221e+01 1.426064221e+01 2.06 1.233845030e+01 1.233845030e+01 2.08 1.057366264e+01 1.057366264e+01 2.10 8.954313748e+00 8.954313748e+00 2.12 7.469676934e+00 7.469676934e+00 2.14 6.109865847e+00 6.109865847e+00 2.16 4.865540337e+00 4.865540337e+00 2.18 3.727787669e+00 3.727787669e+00 2.20 2.688161753e+00 2.688161753e+00 2.22 1.738776340e+00 1.738776340e+00 2.24 8.723929128e-01 8.723929128e-01 2.26 8.246486592e-02 8.246486592e-02 2.28 -6.368749018e-01 -6.368749018e-01 2.30 -1.290837530e+00 -1.290837530e+00 2.32 -1.884044356e+00 -1.884044356e+00 2.34 -2.420620765e+00 -2.420620765e+00 2.36 -2.904275921e+00 -2.904275921e+00 2.38 -3.338400667e+00 -3.338400667e+00 2.40 -3.726159873e+00 -3.726159873e+00 2.42 -4.070583125e+00 -4.070583125e+00 2.44 -4.374636866e+00 -4.374636866e+00 2.46 -4.641284985e+00 -4.641284985e+00 2.48 -4.873518782e+00 -4.873518782e+00 2.50 -5.074358490e+00 -5.074358490e+00 2.52 -5.246825192e+00 -5.246825192e+00 2.54 -5.393883861e+00 -5.393883861e+00 2.56 -5.518362176e+00 -5.518362176e+00 2.58 -5.622859424e+00 -5.622859424e+00 2.60 -5.709699568e+00 -5.709699568e+00 2.62 -5.780863094e+00 -5.780863094e+00 2.64 -5.837877953e+00 -5.837877953e+00 2.66 -5.881983180e+00 -5.881983180e+00 2.68 -5.914787806e+00 -5.914787806e+00 2.70 -5.938949580e+00 -5.938949580e+00 2.72 -5.954782524e+00 -5.954782524e+00 2.74 -5.962411038e+00 -5.962411038e+00 2.76 -5.961949736e+00 -5.961949736e+00 2.78 -5.953415142e+00 -5.953415142e+00 2.80 -5.936850566e+00 -5.936850566e+00 2.82 -5.912348676e+00 -5.912348676e+00 2.84 -5.880057424e+00 -5.880057424e+00 2.86 -5.840182319e+00 -5.840182319e+00 2.88 -5.792995301e+00 -5.792995301e+00 2.90 -5.738845817e+00 -5.738845817e+00 2.92 -5.678170558e+00 -5.678170558e+00 2.94 -5.611497468e+00 -5.611497468e+00 2.96 -5.539439571e+00 -5.539439571e+00 2.98 -5.462675659e+00 -5.462675659e+00 3.00 -5.381918152e+00 -5.381918152e+00 3.02 -5.297874066e+00 -5.297874066e+00 3.04 -5.211200536e+00 -5.211200536e+00 3.06 -5.122475574e+00 -5.122475574e+00 3.08 -5.032171918e+00 -5.032171918e+00 3.10 -4.940662352e+00 -4.940662352e+00 3.12 -4.848225100e+00 -4.848225100e+00 3.14 -4.755075426e+00 -4.755075426e+00 3.16 -4.661369278e+00 -4.661369278e+00 3.18 -4.567239674e+00 -4.567239674e+00 3.20 -4.472812511e+00 -4.472812511e+00 3.22 -4.378212881e+00 -4.378212881e+00 3.24 -4.283532638e+00 -4.283532638e+00 3.26 -4.188881691e+00 -4.188881691e+00 3.28 -4.094410948e+00 -4.094410948e+00 3.30 -4.000305922e+00 -4.000305922e+00 3.32 -3.906774953e+00 -3.906774953e+00 3.34 -3.814033570e+00 -3.814033570e+00 3.36 -3.722287646e+00 -3.722287646e+00 3.38 -3.631718415e+00 -3.631718415e+00 3.40 -3.542471078e+00 -3.542471078e+00 3.42 -3.454653828e+00 -3.454653828e+00 3.44 -3.368332418e+00 -3.368332418e+00 3.46 -3.283539056e+00 -3.283539056e+00 3.48 -3.200277908e+00 -3.200277908e+00 3.50 -3.118532190e+00 -3.118532190e+00 3.52 -3.038272406e+00 -3.038272406e+00 3.54 -2.959512391e+00 -2.959512391e+00 3.56 -2.882305219e+00 -2.882305219e+00 3.58 -2.806678971e+00 -2.806678971e+00 3.60 -2.732639889e+00 -2.732639889e+00 3.62 -2.660177621e+00 -2.660177621e+00 3.64 -2.589269098e+00 -2.589269098e+00 3.66 -2.519881478e+00 -2.519881478e+00 3.68 -2.451974567e+00 -2.451974567e+00 3.70 -2.385503008e+00 -2.385503008e+00 3.72 -2.320418448e+00 -2.320418448e+00 3.74 -2.256671804e+00 -2.256671804e+00 3.76 -2.194215617e+00 -2.194215617e+00 3.78 -2.133006412e+00 -2.133006412e+00 3.80 -2.073006831e+00 -2.073006831e+00 3.82 -2.014187263e+00 -2.014187263e+00 3.84 -1.956526660e+00 -1.956526660e+00 3.86 -1.900012317e+00 -1.900012317e+00 3.88 -1.844638531e+00 -1.844638531e+00 3.90 -1.790404355e+00 -1.790404355e+00 3.92 -1.737309546e+00 -1.737309546e+00 3.94 -1.685357217e+00 -1.685357217e+00 3.96 -1.634543360e+00 -1.634543360e+00 3.98 -1.584861820e+00 -1.584861820e+00 4.00 -1.536302982e+00 -1.536302982e+00 4.02 -1.488855169e+00 -1.488855169e+00 4.04 -1.442506791e+00 -1.442506791e+00 4.06 -1.397248805e+00 -1.397248805e+00 4.08 -1.353076993e+00 -1.353076993e+00 4.10 -1.309990457e+00 -1.309990457e+00 4.12 -1.268005744e+00 -1.268005744e+00 4.14 -1.227135284e+00 -1.227135284e+00 4.16 -1.187400914e+00 -1.187400914e+00 4.18 -1.148827316e+00 -1.148827316e+00 4.20 -1.111438718e+00 -1.111438718e+00 4.22 -1.075255233e+00 -1.075255233e+00 4.24 -1.040289305e+00 -1.040289305e+00 4.26 -1.006542711e+00 -1.006542711e+00 4.28 -9.740044823e-01 -9.740044823e-01 4.30 -9.426499451e-01 -9.426499451e-01 4.32 -9.124408981e-01 -9.124408981e-01 4.34 -8.833267647e-01 -8.833267647e-01 4.36 -8.552464568e-01 -8.552464568e-01 4.38 -8.281306317e-01 -8.281306317e-01 4.40 -8.019040476e-01 -8.019040476e-01 4.42 -7.764877811e-01 -7.764877811e-01 4.44 -7.518011604e-01 -7.518011604e-01 4.46 -7.277633486e-01 -7.277633486e-01 4.48 -7.042945840e-01 -7.042945840e-01 4.50 -6.813171353e-01 -6.813171353e-01 4.52 -6.587560584e-01 -6.587560584e-01 4.54 -6.365398539e-01 -6.365398539e-01 4.56 -6.146011258e-01 -6.146011258e-01 4.58 -5.928773261e-01 -5.928773261e-01 4.60 -5.713116578e-01 -5.713116578e-01 4.62 -5.498541775e-01 -5.498541775e-01 4.64 -5.284631154e-01 -5.284631154e-01 4.66 -5.071063857e-01 -5.071063857e-01 4.68 -4.857632269e-01 -4.857632269e-01 4.70 -4.644258589e-01 -4.644258589e-01 4.72 -4.431010036e-01 -4.431010036e-01 4.74 -4.218110764e-01 -4.218110764e-01 4.76 -4.005948332e-01 -4.005948332e-01 4.78 -3.795072639e-01 -3.795072639e-01 4.80 -3.586155032e-01 -3.586155032e-01 4.82 -3.380094842e-01 -3.380094842e-01 4.84 -3.177789046e-01 -3.177789046e-01 4.86 -2.980231739e-01 -2.980231739e-01 4.88 -2.788431159e-01 -2.788431159e-01 4.90 -2.603360692e-01 -2.603360692e-01 4.92 -2.425911355e-01 -2.425911355e-01 4.94 -2.256849912e-01 -2.256849912e-01 4.96 -2.096786133e-01 -2.096786133e-01 4.98 -1.946151533e-01 -1.946151533e-01 5.00 -1.805190515e-01 -1.805190515e-01 5.02 -1.673963378e-01 -1.673963378e-01 5.04 -1.552359520e-01 -1.552359520e-01 5.06 -1.440118338e-01 -1.440118338e-01 5.08 -1.336855046e-01 -1.336855046e-01 5.10 -1.242088679e-01 -1.242088679e-01 5.12 -1.155269976e-01 -1.155269976e-01 5.14 -1.075807352e-01 -1.075807352e-01 5.16 -1.003089808e-01 -1.003089808e-01 5.18 -9.365061782e-02 -9.365061782e-02 5.20 -8.754605313e-02 -8.754605313e-02 5.22 -8.193839720e-02 -8.193839720e-02 5.24 -7.677431872e-02 -7.677431872e-02 5.26 -7.200456155e-02 -7.200456155e-02 5.28 -6.758422894e-02 -6.758422894e-02 5.30 -6.347347621e-02 -6.347347621e-02 5.32 -5.963712055e-02 -5.963712055e-02 5.34 -5.604456786e-02 -5.604456786e-02 5.36 -5.266969558e-02 -5.266969558e-02 5.38 -4.949064858e-02 -4.949064858e-02 5.40 -4.648955889e-02 -4.648955889e-02 5.42 -4.365219488e-02 -4.365219488e-02 5.44 -4.096754503e-02 -4.096754503e-02 5.46 -3.842734403e-02 -3.842734403e-02 5.48 -3.602555454e-02 -3.602555454e-02 5.50 -3.375782313e-02 -3.375782313e-02 5.52 -3.162093580e-02 -3.162093580e-02 5.54 -2.961230478e-02 -2.961230478e-02 5.56 -2.772951195e-02 -2.772951195e-02 5.58 -2.596993412e-02 -2.596993412e-02 5.60 -2.433045641e-02 -2.433045641e-02 5.62 -2.280704869e-02 -2.280704869e-02 5.64 -2.139528772e-02 -2.139528772e-02 5.66 -2.009015754e-02 -2.009015754e-02 5.68 -1.888595061e-02 -1.888595061e-02 5.70 -1.777641858e-02 -1.777641858e-02 5.72 -1.675494508e-02 -1.675494508e-02 5.74 -1.581472144e-02 -1.581472144e-02 5.76 -1.494891037e-02 -1.494891037e-02 5.78 -1.415078816e-02 -1.415078816e-02 5.80 -1.341386003e-02 -1.341386003e-02 5.82 -1.273194729e-02 -1.273194729e-02 5.84 -1.209924769e-02 -1.209924769e-02 5.86 -1.151037202e-02 -1.151037202e-02 5.88 -1.096036099e-02 -1.096036099e-02 5.90 -1.044468678e-02 -1.044468678e-02 5.92 -9.959243201e-03 -9.959243201e-03 5.94 -9.500328439e-03 -9.500328439e-03 5.96 -9.064623280e-03 -9.064623280e-03 5.98 -8.649167494e-03 -8.649167494e-03 6.00 -8.251336269e-03 -8.251336269e-03