# 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 = Co2Cu # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 1.460542235e+02 1.16 1.333940427e+02 1.18 1.218283266e+02 1.20 1.112546426e+02 1.22 1.015803171e+02 1.24 9.272257208e+01 1.26 8.460875303e+01 1.28 7.717465708e+01 1.30 7.036182842e+01 1.32 6.411599433e+01 1.34 5.838727345e+01 1.36 5.313073145e+01 1.38 4.830616492e+01 1.40 4.387751859e+01 1.42 3.981219272e+01 1.44 3.608040970e+01 1.46 3.265655190e+01 1.48 2.951464659e+01 1.50 2.663029148e+01 1.52 2.398164808e+01 1.54 2.154912175e+01 1.56 1.931494234e+01 1.58 1.726289241e+01 1.60 1.537819995e+01 1.62 1.364750818e+01 1.64 1.205878394e+01 1.66 1.060114326e+01 1.68 9.264698310e+00 1.70 8.040449794e+00 1.72 6.920113668e+00 1.74 5.895847756e+00 1.76 4.960034005e+00 1.78 4.105293302e+00 1.80 3.324716795e+00 1.82 2.612107578e+00 1.84 1.962044937e+00 1.86 1.369754607e+00 1.88 8.308893841e-01 1.90 3.413289799e-01 1.92 -1.029322158e-01 1.94 -5.057803886e-01 1.96 -8.708813032e-01 1.98 -1.201553553e+00 2.00 -1.500691660e+00 2.02 -1.770770768e+00 2.04 -2.013918282e+00 2.06 -2.232016253e+00 2.08 -2.426797528e+00 2.10 -2.599911809e+00 2.12 -2.752955917e+00 2.14 -2.887479309e+00 2.16 -3.005097022e+00 2.18 -3.107096960e+00 2.20 -3.194571644e+00 2.22 -3.268543937e+00 2.24 -3.329977752e+00 2.26 -3.379807558e+00 2.28 -3.418970166e+00 2.30 -3.448295709e+00 2.32 -3.468467977e+00 2.34 -3.480234313e+00 2.36 -3.484436835e+00 2.38 -3.482099768e+00 2.40 -3.473603263e+00 2.42 -3.459220565e+00 2.44 -3.439217372e+00 2.46 -3.413863362e+00 2.48 -3.383445228e+00 2.50 -3.348271859e+00 2.52 -3.308684627e+00 2.54 -3.265075057e+00 2.56 -3.217841176e+00 2.58 -3.167379406e+00 2.60 -3.114085777e+00 2.62 -3.058352559e+00 2.64 -3.000560605e+00 2.66 -2.941072069e+00 2.68 -2.880228011e+00 2.70 -2.818350922e+00 2.72 -2.755747932e+00 2.74 -2.692709821e+00 2.76 -2.629504163e+00 2.78 -2.566364937e+00 2.80 -2.503483151e+00 2.82 -2.441002396e+00 2.84 -2.379020819e+00 2.86 -2.317598613e+00 2.88 -2.256768851e+00 2.90 -2.196549544e+00 2.92 -2.136955545e+00 2.94 -2.078009557e+00 2.96 -2.019751749e+00 2.98 -1.962247053e+00 3.00 -1.905588670e+00 3.02 -1.849896003e+00 3.04 -1.795305918e+00 3.06 -1.741958019e+00 3.08 -1.689976906e+00 3.10 -1.639455977e+00 3.12 -1.590447022e+00 3.14 -1.542957775e+00 3.16 -1.496956804e+00 3.18 -1.452383134e+00 3.20 -1.409157468e+00 3.22 -1.367192530e+00 3.24 -1.326401204e+00 3.26 -1.286702164e+00 3.28 -1.248023257e+00 3.30 -1.210303150e+00 3.32 -1.173491752e+00 3.34 -1.137549809e+00 3.36 -1.102447951e+00 3.38 -1.068165414e+00 3.40 -1.034688553e+00 3.42 -1.002009277e+00 3.44 -9.701234907e-01 3.46 -9.390296131e-01 3.48 -9.087272497e-01 3.50 -8.792160523e-01 3.52 -8.504947999e-01 3.54 -8.225607055e-01 3.56 -7.954089435e-01 3.58 -7.690323808e-01 3.60 -7.434214855e-01 3.62 -7.185643863e-01 3.64 -6.944470551e-01 3.66 -6.710535813e-01 3.68 -6.483665082e-01 3.70 -6.263672008e-01 3.72 -6.050362114e-01 3.74 -5.843536140e-01 3.76 -5.642992799e-01 3.78 -5.448530747e-01 3.80 -5.259949679e-01 3.82 -5.077050543e-01 3.84 -4.899634987e-01 3.86 -4.727504211e-01 3.88 -4.560457438e-01 3.90 -4.398290244e-01 3.92 -4.240792928e-01 3.94 -4.087749133e-01 3.96 -3.938934839e-01 3.98 -3.794117874e-01 4.00 -3.653058067e-01 4.02 -3.515508168e-01 4.04 -3.381215692e-01 4.06 -3.249925853e-01 4.08 -3.121385755e-01 4.10 -2.995349973e-01 4.12 -2.871587607e-01 4.14 -2.749890693e-01 4.16 -2.630083707e-01 4.18 -2.512033556e-01 4.20 -2.395659176e-01 4.22 -2.280939569e-01 4.24 -2.167919001e-01 4.26 -2.056708183e-01 4.28 -1.947480691e-01 4.30 -1.840464535e-01 4.32 -1.735929630e-01 4.34 -1.634172566e-01 4.36 -1.535500441e-01 4.38 -1.440215412e-01 4.40 -1.348601076e-01 4.42 -1.260911141e-01 4.44 -1.177360257e-01 4.46 -1.098116638e-01 4.48 -1.023296172e-01 4.50 -9.529580085e-02 4.52 -8.871019187e-02 4.54 -8.256678747e-02 4.56 -7.685381647e-02 4.58 -7.155421911e-02 4.60 -6.664636705e-02 4.62 -6.210496457e-02 4.64 -5.790167956e-02 4.66 -5.400698682e-02 4.68 -5.039103891e-02 4.70 -4.702412653e-02 4.72 -4.387754621e-02 4.74 -4.092431760e-02 4.76 -3.813975899e-02 4.78 -3.550193524e-02 4.80 -3.299199239e-02 4.82 -3.059438868e-02 4.84 -2.829702127e-02 4.86 -2.609124433e-02 4.88 -2.397176371e-02 4.90 -2.193639551e-02 4.92 -1.998568051e-02 4.94 -1.812235882e-02 4.96 -1.635072724e-02 4.98 -1.467591970e-02 5.00 -1.310316939e-02 5.02 -1.163711844e-02 5.04 -1.028123726e-02 5.06 -9.037402989e-03 5.08 -7.905542413e-03 5.10 -6.883744816e-03 5.12 -5.968567521e-03 5.14 -5.154990546e-03 5.16 -4.436752230e-03 5.18 -3.806720127e-03 5.20 -3.257253529e-03 5.22 -2.780528737e-03 5.24 -2.368809967e-03 5.26 -2.014659040e-03 5.28 -1.711084869e-03 5.30 -1.451638855e-03 5.32 -1.230465025e-03 5.34 -1.042314614e-03 5.36 -8.825343772e-04 5.38 -7.470367927e-04 5.40 -6.322589042e-04 5.42 -5.351150380e-04 5.44 -4.529472982e-04 5.46 -3.834765728e-04 5.48 -3.247558609e-04 5.50 -2.751270124e-04 5.52 -2.331814467e-04 5.54 -1.977250460e-04 5.56 -1.677471666e-04 5.58 -1.423935564e-04 5.60 -1.209428733e-04 5.62 -1.027864572e-04 5.64 -8.741099555e-05 5.66 -7.438373210e-05 5.68 -6.333988829e-05 5.70 -5.397199690e-05 5.72 -4.602087731e-05 5.74 -3.926801322e-05 5.76 -3.352912410e-05 5.78 -2.864874923e-05 5.80 -2.449568852e-05 5.82 -2.095916689e-05 5.84 -1.794560848e-05 5.86 -1.537592455e-05 5.88 -1.318323315e-05 5.90 -1.131094207e-05 5.92 -9.711136713e-06 5.94 -8.343224229e-06 5.96 -7.172792759e-06 5.98 -6.170651346e-06 6.00 -5.312021559e-06