# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2Ni # 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 2022-05-24 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 3.930476151e+02 0.90 3.592927552e+02 0.92 3.292992454e+02 0.94 3.025497672e+02 0.96 2.786070300e+02 0.98 2.570920822e+02 1.00 2.376859998e+02 1.02 2.201185954e+02 1.04 2.041540874e+02 1.06 1.895931988e+02 1.08 1.762658599e+02 1.10 1.640230908e+02 1.12 1.527428409e+02 1.14 1.423199694e+02 1.16 1.326664557e+02 1.18 1.237011618e+02 1.20 1.153599219e+02 1.22 1.075852948e+02 1.24 1.003281075e+02 1.26 9.354443023e+01 1.28 8.719545916e+01 1.30 8.124833414e+01 1.32 7.567458084e+01 1.34 7.044752999e+01 1.36 6.554498934e+01 1.38 6.094670956e+01 1.40 5.663376170e+01 1.42 5.258689195e+01 1.44 4.879194959e+01 1.46 4.523477003e+01 1.48 4.190117964e+01 1.50 3.877900735e+01 1.52 3.585687244e+01 1.54 3.312312475e+01 1.56 3.056771104e+01 1.58 2.818062771e+01 1.60 2.595240147e+01 1.62 2.387200546e+01 1.64 2.193284851e+01 1.66 2.012718488e+01 1.68 1.844738320e+01 1.70 1.684220726e+01 1.72 1.538831502e+01 1.74 1.403622977e+01 1.76 1.277962857e+01 1.78 1.161256502e+01 1.80 1.049869232e+01 1.82 9.472378906e+00 1.84 8.504980551e+00 1.86 7.594446448e+00 1.88 6.738811114e+00 1.90 5.936129863e+00 1.92 5.183646138e+00 1.94 4.479553971e+00 1.96 3.822060168e+00 1.98 3.208688302e+00 2.00 2.637611375e+00 2.02 2.106747859e+00 2.04 1.614030207e+00 2.06 1.157447232e+00 2.08 7.356502699e-01 2.10 3.461375673e-01 2.12 -1.297441517e-02 2.14 -3.434153409e-01 2.16 -6.469997953e-01 2.18 -9.252671000e-01 2.20 -1.179345138e+00 2.22 -1.411026260e+00 2.24 -1.621650194e+00 2.26 -1.812495655e+00 2.28 -1.984812619e+00 2.30 -2.139787126e+00 2.32 -2.278547789e+00 2.34 -2.401813932e+00 2.36 -2.510959198e+00 2.38 -2.606942918e+00 2.40 -2.690659799e+00 2.42 -2.763014639e+00 2.44 -2.824750004e+00 2.46 -2.876533954e+00 2.48 -2.919107311e+00 2.50 -2.953197980e+00 2.52 -2.979943658e+00 2.54 -2.999639198e+00 2.56 -3.012577125e+00 2.58 -3.019284363e+00 2.60 -3.020255912e+00 2.62 -3.015956343e+00 2.64 -3.006821404e+00 2.66 -2.993259587e+00 2.68 -2.975653615e+00 2.70 -2.954359264e+00 2.72 -2.929501470e+00 2.74 -2.901135092e+00 2.76 -2.870068434e+00 2.78 -2.836593151e+00 2.80 -2.801006523e+00 2.82 -2.763465275e+00 2.84 -2.724178365e+00 2.86 -2.683182644e+00 2.88 -2.640753595e+00 2.90 -2.597206546e+00 2.92 -2.552800554e+00 2.94 -2.507571337e+00 2.96 -2.462064674e+00 2.98 -2.415972604e+00 3.00 -2.369419042e+00 3.02 -2.322518178e+00 3.04 -2.275375423e+00 3.06 -2.228087996e+00 3.08 -2.180745719e+00 3.10 -2.133430848e+00 3.12 -2.086218633e+00 3.14 -2.039179100e+00 3.16 -1.992375074e+00 3.18 -1.945864449e+00 3.20 -1.899700433e+00 3.22 -1.853929803e+00 3.24 -1.808597179e+00 3.26 -1.763740522e+00 3.28 -1.719395058e+00 3.30 -1.675594241e+00 3.32 -1.632355993e+00 3.34 -1.589730452e+00 3.36 -1.547752548e+00 3.38 -1.506289172e+00 3.40 -1.465321653e+00 3.42 -1.425211284e+00 3.44 -1.385787799e+00 3.46 -1.347046226e+00 3.48 -1.308995945e+00 3.50 -1.271609641e+00 3.52 -1.234894589e+00 3.54 -1.198879335e+00 3.56 -1.163592073e+00 3.58 -1.129028032e+00 3.60 -1.094860023e+00 3.62 -1.061227742e+00 3.64 -1.028361710e+00 3.66 -9.964250936e-01 3.68 -9.655280176e-01 3.70 -9.357510099e-01 3.72 -9.072456978e-01 3.74 -8.801650480e-01 3.76 -8.539787208e-01 3.78 -8.282709285e-01 3.80 -8.027565287e-01 3.82 -7.772515728e-01 3.84 -7.516213648e-01 3.86 -7.257176113e-01 3.88 -6.995840621e-01 3.90 -6.732993833e-01 3.92 -6.469510616e-01 3.94 -6.206019632e-01 3.96 -5.942661873e-01 3.98 -5.682115043e-01 4.00 -5.427555557e-01 4.02 -5.179478159e-01 4.04 -4.937779754e-01 4.06 -4.702405181e-01 4.08 -4.473333117e-01 4.10 -4.250564519e-01 4.12 -4.034113226e-01 4.14 -3.823998360e-01 4.16 -3.620238305e-01 4.18 -3.422846104e-01 4.20 -3.231826153e-01 4.22 -3.047111351e-01 4.24 -2.868230220e-01 4.26 -2.695581850e-01 4.28 -2.529616745e-01 4.30 -2.370617424e-01 4.32 -2.218731518e-01 4.34 -2.073999325e-01 4.36 -1.936376525e-01 4.38 -1.805752995e-01 4.40 -1.681968268e-01 4.42 -1.564824249e-01 4.44 -1.454095518e-01 4.46 -1.349537744e-01 4.48 -1.250894502e-01 4.50 -1.157902699e-01 4.52 -1.070296881e-01 4.54 -9.878126360e-02 4.56 -9.101892873e-02 4.58 -8.371718741e-02 4.60 -7.685126646e-02 4.62 -7.039722642e-02 4.64 -6.433203866e-02 4.66 -5.863363292e-02 4.68 -5.328092422e-02 4.70 -4.825382564e-02 4.72 -4.353324276e-02 4.74 -3.910106041e-02 4.76 -3.494012156e-02 4.78 -3.103933414e-02 4.80 -2.738037373e-02 4.82 -2.541214298e-02 4.84 -2.367274201e-02 4.86 -2.203946766e-02 4.88 -2.050611737e-02 4.90 -1.906673347e-02 4.92 -1.771569082e-02 4.94 -1.644768273e-02 4.96 -1.525770634e-02 4.98 -1.414104798e-02 5.00 -1.309326877e-02 5.02 -1.211019049e-02 5.04 -1.118788175e-02 5.06 -1.032264449e-02 5.08 -9.511000999e-03 5.10 -8.749681583e-03 5.12 -8.035612743e-03 5.14 -7.365905833e-03 5.16 -6.737846239e-03 5.18 -6.148883185e-03 5.20 -5.596620090e-03 5.22 -5.078805478e-03 5.24 -4.593324263e-03 5.26 -4.138189589e-03 5.28 -3.711535149e-03 5.30 -3.311607991e-03 5.32 -2.936761696e-03 5.34 -2.585449919e-03 5.36 -2.256220353e-03 5.38 -1.947709069e-03 5.40 -1.658635214e-03 5.42 -1.387795968e-03 5.44 -1.134061812e-03 5.46 -8.963721019e-04 5.48 -6.737309228e-04 5.50 -4.652031978e-04 5.52 -2.699109789e-04 5.54 -8.586018379e-05 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00