# 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 = Fe2PtTi # 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 2.665229444e+02 2.665229444e+02 1.30 2.458989242e+02 2.458989242e+02 1.32 2.268167117e+02 2.268167117e+02 1.34 2.091602369e+02 2.091602369e+02 1.36 1.928267425e+02 1.928267425e+02 1.38 1.777183409e+02 1.777183409e+02 1.40 1.637377953e+02 1.637377953e+02 1.42 1.507896625e+02 1.507896625e+02 1.44 1.387843024e+02 1.387843024e+02 1.46 1.276420845e+02 1.276420845e+02 1.48 1.172954589e+02 1.172954589e+02 1.50 1.076875862e+02 1.076875862e+02 1.52 9.876840730e+01 9.876840730e+01 1.54 9.049044029e+01 9.049044029e+01 1.56 8.280625155e+01 8.280625155e+01 1.58 7.566816385e+01 7.566816385e+01 1.60 6.902945999e+01 6.902945999e+01 1.62 6.284609168e+01 6.284609168e+01 1.64 5.707840648e+01 5.707840648e+01 1.66 5.169266163e+01 5.169266163e+01 1.68 4.666188000e+01 4.666188000e+01 1.70 4.196552258e+01 4.196552258e+01 1.72 3.758787273e+01 3.758787273e+01 1.74 3.352958566e+01 3.352958566e+01 1.76 2.983662745e+01 2.983662745e+01 1.78 2.648784009e+01 2.648784009e+01 1.80 2.345258265e+01 2.345258265e+01 1.82 2.070099523e+01 2.070099523e+01 1.84 1.820519305e+01 1.820519305e+01 1.86 1.593985821e+01 1.593985821e+01 1.88 1.388227981e+01 1.388227981e+01 1.90 1.201210728e+01 1.201210728e+01 1.92 1.031105825e+01 1.031105825e+01 1.94 8.762709281e+00 8.762709281e+00 1.96 7.352381413e+00 7.352381413e+00 1.98 6.067064610e+00 6.067064610e+00 2.00 4.895306637e+00 4.895306637e+00 2.02 3.827037124e+00 3.827037124e+00 2.04 2.853361155e+00 2.853361155e+00 2.06 1.966375620e+00 1.966375620e+00 2.08 1.159029848e+00 1.159029848e+00 2.10 4.250139795e-01 4.250139795e-01 2.12 -2.413479873e-01 -2.413479873e-01 2.14 -8.452060906e-01 -8.452060906e-01 2.16 -1.391278887e+00 -1.391278887e+00 2.18 -1.883922215e+00 -1.883922215e+00 2.20 -2.327173817e+00 -2.327173817e+00 2.22 -2.724785943e+00 -2.724785943e+00 2.24 -3.080255206e+00 -3.080255206e+00 2.26 -3.396850373e+00 -3.396850373e+00 2.28 -3.677632071e+00 -3.677632071e+00 2.30 -3.925459171e+00 -3.925459171e+00 2.32 -4.142984465e+00 -4.142984465e+00 2.34 -4.332648208e+00 -4.332648208e+00 2.36 -4.496681906e+00 -4.496681906e+00 2.38 -4.637127545e+00 -4.637127545e+00 2.40 -4.755870362e+00 -4.755870362e+00 2.42 -4.855016962e+00 -4.855016962e+00 2.44 -4.937555776e+00 -4.937555776e+00 2.46 -5.004790645e+00 -5.004790645e+00 2.48 -5.057869325e+00 -5.057869325e+00 2.50 -5.097985646e+00 -5.097985646e+00 2.52 -5.126363751e+00 -5.126363751e+00 2.54 -5.144282095e+00 -5.144282095e+00 2.56 -5.152892873e+00 -5.152892873e+00 2.58 -5.153220528e+00 -5.153220528e+00 2.60 -5.146174619e+00 -5.146174619e+00 2.62 -5.132521886e+00 -5.132521886e+00 2.64 -5.112882280e+00 -5.112882280e+00 2.66 -5.087744229e+00 -5.087744229e+00 2.68 -5.057483998e+00 -5.057483998e+00 2.70 -5.022316212e+00 -5.022316212e+00 2.72 -4.982364422e+00 -4.982364422e+00 2.74 -4.937745609e+00 -4.937745609e+00 2.76 -4.888582101e+00 -4.888582101e+00 2.78 -4.834986325e+00 -4.834986325e+00 2.80 -4.777078839e+00 -4.777078839e+00 2.82 -4.714995360e+00 -4.714995360e+00 2.84 -4.648892862e+00 -4.648892862e+00 2.86 -4.578957633e+00 -4.578957633e+00 2.88 -4.505414751e+00 -4.505414751e+00 2.90 -4.428536206e+00 -4.428536206e+00 2.92 -4.348548337e+00 -4.348548337e+00 2.94 -4.265589802e+00 -4.265589802e+00 2.96 -4.179897032e+00 -4.179897032e+00 2.98 -4.091799103e+00 -4.091799103e+00 3.00 -4.001683600e+00 -4.001683600e+00 3.02 -3.909959036e+00 -3.909959036e+00 3.04 -3.817019070e+00 -3.817019070e+00 3.06 -3.723214415e+00 -3.723214415e+00 3.08 -3.628835596e+00 -3.628835596e+00 3.10 -3.534162386e+00 -3.534162386e+00 3.12 -3.439598617e+00 -3.439598617e+00 3.14 -3.345492287e+00 -3.345492287e+00 3.16 -3.252114123e+00 -3.252114123e+00 3.18 -3.159690886e+00 -3.159690886e+00 3.20 -3.068430590e+00 -3.068430590e+00 3.22 -2.978538416e+00 -2.978538416e+00 3.24 -2.890223472e+00 -2.890223472e+00 3.26 -2.803697819e+00 -2.803697819e+00 3.28 -2.719169816e+00 -2.719169816e+00 3.30 -2.636834158e+00 -2.636834158e+00 3.32 -2.556860974e+00 -2.556860974e+00 3.34 -2.479386063e+00 -2.479386063e+00 3.36 -2.404503884e+00 -2.404503884e+00 3.38 -2.332264214e+00 -2.332264214e+00 3.40 -2.262672746e+00 -2.262672746e+00 3.42 -2.195695340e+00 -2.195695340e+00 3.44 -2.131264855e+00 -2.131264855e+00 3.46 -2.069289811e+00 -2.069289811e+00 3.48 -2.009663417e+00 -2.009663417e+00 3.50 -1.952271949e+00 -1.952271949e+00 3.52 -1.897001531e+00 -1.897001531e+00 3.54 -1.843742693e+00 -1.843742693e+00 3.56 -1.792392514e+00 -1.792392514e+00 3.58 -1.742854595e+00 -1.742854595e+00 3.60 -1.695037540e+00 -1.695037540e+00 3.62 -1.648852847e+00 -1.648852847e+00 3.64 -1.604213044e+00 -1.604213044e+00 3.66 -1.561030662e+00 -1.561030662e+00 3.68 -1.519218213e+00 -1.519218213e+00 3.70 -1.478688988e+00 -1.478688988e+00 3.72 -1.439358322e+00 -1.439358322e+00 3.74 -1.401144916e+00 -1.401144916e+00 3.76 -1.363971926e+00 -1.363971926e+00 3.78 -1.327767658e+00 -1.327767658e+00 3.80 -1.292465850e+00 -1.292465850e+00 3.82 -1.258005591e+00 -1.258005591e+00 3.84 -1.224330981e+00 -1.224330981e+00 3.86 -1.191390636e+00 -1.191390636e+00 3.88 -1.159137150e+00 -1.159137150e+00 3.90 -1.127526600e+00 -1.127526600e+00 3.92 -1.096518149e+00 -1.096518149e+00 3.94 -1.066073892e+00 -1.066073892e+00 3.96 -1.036158797e+00 -1.036158797e+00 3.98 -1.006741025e+00 -1.006741025e+00 4.00 -9.777924441e-01 -9.777924441e-01 4.02 -9.492894090e-01 -9.492894090e-01 4.04 -9.212137449e-01 -9.212137449e-01 4.06 -8.935538558e-01 -8.935538558e-01 4.08 -8.663058328e-01 -8.663058328e-01 4.10 -8.394743236e-01 -8.394743236e-01 4.12 -8.130734148e-01 -8.130734148e-01 4.14 -7.871261747e-01 -7.871261747e-01 4.16 -7.616642718e-01 -7.616642718e-01 4.18 -7.367263411e-01 -7.367263411e-01 4.20 -7.123556233e-01 -7.123556233e-01 4.22 -6.885969447e-01 -6.885969447e-01 4.24 -6.654933157e-01 -6.654933157e-01 4.26 -6.430825233e-01 -6.430825233e-01 4.28 -6.213941064e-01 -6.213941064e-01 4.30 -6.004470534e-01 -6.004470534e-01 4.32 -5.802484380e-01 -5.802484380e-01 4.34 -5.607930585e-01 -5.607930585e-01 4.36 -5.420639976e-01 -5.420639976e-01 4.38 -5.240339087e-01 -5.240339087e-01 4.40 -5.066667771e-01 -5.066667771e-01 4.42 -4.899199025e-01 -4.899199025e-01 4.44 -4.737458847e-01 -4.737458847e-01 4.46 -4.580944569e-01 -4.580944569e-01 4.48 -4.429140769e-01 -4.429140769e-01 4.50 -4.281532513e-01 -4.281532513e-01 4.52 -4.137615478e-01 -4.137615478e-01 4.54 -3.996902823e-01 -3.996902823e-01 4.56 -3.858939770e-01 -3.858939770e-01 4.58 -3.723304016e-01 -3.723304016e-01 4.60 -3.589611324e-01 -3.589611324e-01 4.62 -3.457522278e-01 -3.457522278e-01 4.64 -3.326749237e-01 -3.326749237e-01 4.66 -3.197063631e-01 -3.197063631e-01 4.68 -3.068303472e-01 -3.068303472e-01 4.70 -2.940380649e-01 -2.940380649e-01 4.72 -2.813287356e-01 -2.813287356e-01 4.74 -2.687100751e-01 -2.687100751e-01 4.76 -2.561984860e-01 -2.561984860e-01 4.78 -2.438188733e-01 -2.438188733e-01 4.80 -2.316039641e-01 -2.316039641e-01 4.82 -2.195933474e-01 -2.195933474e-01 4.84 -2.078315724e-01 -2.078315724e-01 4.86 -1.963662982e-01 -1.963662982e-01 4.88 -1.852459129e-01 -1.852459129e-01 4.90 -1.745170952e-01 -1.745170952e-01 4.92 -1.642224736e-01 -1.642224736e-01 4.94 -1.543985796e-01 -1.543985796e-01 4.96 -1.450742660e-01 -1.450742660e-01 4.98 -1.362696848e-01 -1.362696848e-01 5.00 -1.279958667e-01 -1.279958667e-01 5.02 -1.202548723e-01 -1.202548723e-01 5.04 -1.130404288e-01 -1.130404288e-01 5.06 -1.063389303e-01 -1.063389303e-01 5.08 -1.001308361e-01 -1.001308361e-01 5.10 -9.439206119e-02 -9.439206119e-02 5.12 -8.909441319e-02 -8.909441319e-02 5.14 -8.420754638e-02 -8.420754638e-02 5.16 -7.970010442e-02 -7.970010442e-02 5.18 -7.554062728e-02 -7.554062728e-02 5.20 -7.169827140e-02 -7.169827140e-02 5.22 -6.814335144e-02 -6.814335144e-02 5.24 -6.484772122e-02 -6.484772122e-02 5.26 -6.178501683e-02 -6.178501683e-02 5.28 -5.893078629e-02 -5.893078629e-02 5.30 -5.626252992e-02 -5.626252992e-02 5.32 -5.375967352e-02 -5.375967352e-02 5.34 -5.140349378e-02 -5.140349378e-02 5.36 -4.917701255e-02 -4.917701255e-02 5.38 -4.706487374e-02 -4.706487374e-02 5.40 -4.505321359e-02 -4.505321359e-02 5.42 -4.312953331e-02 -4.312953331e-02 5.44 -4.128258031e-02 -4.128258031e-02 5.46 -3.950224335e-02 -3.950224335e-02 5.48 -3.777946479e-02 -3.777946479e-02 5.50 -3.610617250e-02 -3.610617250e-02 5.52 -3.447523257e-02 -3.447523257e-02 5.54 -3.288042301e-02 -3.288042301e-02 5.56 -3.131642766e-02 -3.131642766e-02 5.58 -2.977884656e-02 -2.977884656e-02 5.60 -2.826422168e-02 -2.826422168e-02 5.62 -2.677007091e-02 -2.677007091e-02 5.64 -2.529492354e-02 -2.529492354e-02 5.66 -2.383834892e-02 -2.383834892e-02 5.68 -2.240096869e-02 -2.240096869e-02 5.70 -2.098444255e-02 -2.098444255e-02 5.72 -1.959141832e-02 -1.959141832e-02 5.74 -1.822543896e-02 -1.822543896e-02 5.76 -1.689080270e-02 -1.689080270e-02 5.78 -1.559217700e-02 -1.559217700e-02 5.80 -1.433464251e-02 -1.433464251e-02 5.82 -1.312362808e-02 -1.312362808e-02 5.84 -1.196436918e-02 -1.196436918e-02 5.86 -1.086164782e-02 -1.086164782e-02 5.88 -9.819560637e-03 -9.819560637e-03 5.90 -8.841332547e-03 -8.841332547e-03 5.92 -7.929188526e-03 -7.929188526e-03 5.94 -7.084289809e-03 -7.084289809e-03 5.96 -6.306734099e-03 -6.306734099e-03 5.98 -5.595613263e-03 -5.595613263e-03 6.00 -4.949117462e-03 -4.949117462e-03