# 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 = CoPt2 # 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 3.690181074e+02 1.16 3.420864508e+02 1.18 3.171580868e+02 1.20 2.940627303e+02 1.22 2.726273962e+02 1.24 2.526915741e+02 1.26 2.341155398e+02 1.28 2.167832074e+02 1.30 2.005986458e+02 1.32 1.854792603e+02 1.34 1.713516530e+02 1.36 1.581488542e+02 1.38 1.458076763e+02 1.40 1.342695931e+02 1.42 1.234828870e+02 1.44 1.134007600e+02 1.46 1.039776949e+02 1.48 9.516883091e+01 1.50 8.693108717e+01 1.52 7.922292268e+01 1.54 7.200308092e+01 1.56 6.523027756e+01 1.58 5.886428172e+01 1.60 5.289480414e+01 1.62 4.742467307e+01 1.64 4.242488045e+01 1.66 3.785238475e+01 1.68 3.367182124e+01 1.70 2.985405271e+01 1.72 2.637407278e+01 1.74 2.320854934e+01 1.76 2.033380408e+01 1.78 1.772521028e+01 1.80 1.535818631e+01 1.82 1.320988086e+01 1.84 1.126042700e+01 1.86 9.493204076e+00 1.88 7.894161536e+00 1.90 6.450637797e+00 1.92 5.150280745e+00 1.94 3.980566931e+00 1.96 2.929005230e+00 1.98 1.983694906e+00 2.00 1.133817202e+00 2.02 3.698497855e-01 2.04 -3.164714082e-01 2.06 -9.323287930e-01 2.08 -1.484044279e+00 2.10 -1.977288410e+00 2.12 -2.417240795e+00 2.14 -2.808679755e+00 2.16 -3.156001825e+00 2.18 -3.463197222e+00 2.20 -3.733818883e+00 2.22 -3.970973376e+00 2.24 -4.177342030e+00 2.26 -4.355225746e+00 2.28 -4.506603446e+00 2.30 -4.634200373e+00 2.32 -4.742552293e+00 2.34 -4.832307345e+00 2.36 -4.903912058e+00 2.38 -4.957985301e+00 2.40 -4.995342811e+00 2.42 -5.017003535e+00 2.44 -5.024170172e+00 2.46 -5.018184435e+00 2.48 -5.000467415e+00 2.50 -4.972465981e+00 2.52 -4.935651093e+00 2.54 -4.891336103e+00 2.56 -4.840722287e+00 2.58 -4.784899410e+00 2.60 -4.724810283e+00 2.62 -4.661219834e+00 2.64 -4.594698729e+00 2.66 -4.525627802e+00 2.68 -4.454207699e+00 2.70 -4.380468374e+00 2.72 -4.304363614e+00 2.74 -4.225812525e+00 2.76 -4.144720988e+00 2.78 -4.060996568e+00 2.80 -3.974559970e+00 2.82 -3.885356859e+00 2.84 -3.793373612e+00 2.86 -3.698658847e+00 2.88 -3.601350414e+00 2.90 -3.501704508e+00 2.92 -3.400120415e+00 2.94 -3.297152063e+00 2.96 -3.193497642e+00 2.98 -3.089962255e+00 3.00 -2.987395715e+00 3.02 -2.886615821e+00 3.04 -2.788333110e+00 3.06 -2.693094232e+00 3.08 -2.601361297e+00 3.10 -2.513558533e+00 3.12 -2.429861489e+00 3.14 -2.350234755e+00 3.16 -2.274500058e+00 3.18 -2.202395484e+00 3.20 -2.133621270e+00 3.22 -2.067871805e+00 3.24 -2.004855850e+00 3.26 -1.944307918e+00 3.28 -1.885993621e+00 3.30 -1.829711214e+00 3.32 -1.775290871e+00 3.34 -1.722592627e+00 3.36 -1.671503503e+00 3.38 -1.621934136e+00 3.40 -1.573815092e+00 3.42 -1.527093059e+00 3.44 -1.481727067e+00 3.46 -1.437684933e+00 3.48 -1.394940054e+00 3.50 -1.353468636e+00 3.52 -1.313247436e+00 3.54 -1.274251995e+00 3.56 -1.236455369e+00 3.58 -1.199827293e+00 3.60 -1.164333760e+00 3.62 -1.129936936e+00 3.64 -1.096595404e+00 3.66 -1.064264667e+00 3.68 -1.032897868e+00 3.70 -1.002446668e+00 3.72 -9.728622132e-01 3.74 -9.440960978e-01 3.76 -9.161012643e-01 3.78 -8.888327526e-01 3.80 -8.622482617e-01 3.82 -8.363084993e-01 3.84 -8.109773341e-01 3.86 -7.862217897e-01 3.88 -7.620119422e-01 3.90 -7.383207927e-01 3.92 -7.151241876e-01 3.94 -6.924008558e-01 3.96 -6.701325859e-01 3.98 -6.483045957e-01 4.00 -6.269060571e-01 4.02 -6.059307413e-01 4.04 -5.853776992e-01 4.06 -5.652518571e-01 4.08 -5.455643819e-01 4.10 -5.263326535e-01 4.12 -5.075797247e-01 4.14 -4.893331191e-01 4.16 -4.716230348e-01 4.18 -4.544799935e-01 4.20 -4.379321706e-01 4.22 -4.220026998e-01 4.24 -4.067072844e-01 4.26 -3.920524138e-01 4.28 -3.780343865e-01 4.30 -3.646392040e-01 4.32 -3.518432627e-01 4.34 -3.396146607e-01 4.36 -3.279148808e-01 4.38 -3.167006078e-01 4.40 -3.059254784e-01 4.42 -2.955416254e-01 4.44 -2.855009429e-01 4.46 -2.757560611e-01 4.48 -2.662610578e-01 4.50 -2.569719622e-01 4.52 -2.478471168e-01 4.54 -2.388474650e-01 4.56 -2.299368254e-01 4.58 -2.210822056e-01 4.60 -2.122541927e-01 4.62 -2.034274460e-01 4.64 -1.945812978e-01 4.66 -1.857004508e-01 4.68 -1.767757369e-01 4.70 -1.678048829e-01 4.72 -1.587932040e-01 4.74 -1.497541301e-01 4.76 -1.407094587e-01 4.78 -1.316892316e-01 4.80 -1.227311487e-01 4.82 -1.138794939e-01 4.84 -1.051835324e-01 4.86 -9.669548965e-02 4.88 -8.846821915e-02 4.90 -8.055274357e-02 4.92 -7.299587266e-02 4.94 -6.583810062e-02 4.96 -5.911234403e-02 4.98 -5.284293915e-02 5.00 -4.704328152e-02 5.02 -4.171740422e-02 5.04 -3.686071455e-02 5.06 -3.246101843e-02 5.08 -2.849979661e-02 5.10 -2.495360023e-02 5.12 -2.179544986e-02 5.14 -1.899614755e-02 5.16 -1.652543951e-02 5.18 -1.435299372e-02 5.20 -1.244917828e-02 5.22 -1.078564914e-02 5.24 -9.335760706e-03 5.26 -8.074768008e-03 5.28 -6.979895184e-03 5.30 -6.030826616e-03 5.32 -5.209280988e-03 5.34 -4.498910892e-03 5.36 -3.885205776e-03 5.38 -3.355363620e-03 5.40 -2.898146313e-03 5.42 -2.503729446e-03 5.44 -2.163553855e-03 5.46 -1.870183697e-03 5.48 -1.617173980e-03 5.50 -1.398949084e-03 5.52 -1.210692854e-03 5.54 -1.048250240e-03 5.56 -9.080399849e-04 5.58 -7.869776628e-04 5.60 -6.824082015e-04 5.62 -5.920469902e-04 5.64 -5.139286647e-04 5.66 -4.463627020e-04 5.68 -3.878950118e-04 5.70 -3.372747811e-04 5.72 -2.934258983e-04 5.74 -2.554223564e-04 5.76 -2.224671000e-04 5.78 -1.938738515e-04 5.80 -1.690515028e-04 5.82 -1.474907175e-04 5.84 -1.287524334e-04 5.86 -1.124579967e-04 5.88 -9.828069766e-05 5.90 -8.593850681e-05 5.92 -7.518784254e-05 5.94 -6.581822111e-05 5.96 -5.764766367e-05 5.98 -5.051875208e-05 6.00 -4.429524043e-05