# 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 = Ag2Au # 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 7.594299692e+02 0.90 6.917225442e+02 0.92 6.307764570e+02 0.94 5.758351394e+02 0.96 5.262378760e+02 0.98 4.814082298e+02 1.00 4.408408165e+02 1.02 4.040894442e+02 1.04 3.707592202e+02 1.06 3.404998766e+02 1.08 3.130001146e+02 1.10 2.879846816e+02 1.12 2.652056595e+02 1.14 2.444425264e+02 1.16 2.254980997e+02 1.18 2.081948360e+02 1.20 1.923744211e+02 1.22 1.778948687e+02 1.24 1.646282459e+02 1.26 1.524589054e+02 1.28 1.412834487e+02 1.30 1.310090376e+02 1.32 1.215527501e+02 1.34 1.128394483e+02 1.36 1.048007705e+02 1.38 9.737666490e+01 1.40 9.051246208e+01 1.42 8.415881552e+01 1.44 7.827128349e+01 1.46 7.280949668e+01 1.48 6.773711204e+01 1.50 6.302193740e+01 1.52 5.863460744e+01 1.54 5.454803898e+01 1.56 5.073860869e+01 1.58 4.718449176e+01 1.60 4.386591596e+01 1.62 4.076445804e+01 1.64 3.786378254e+01 1.66 3.514957269e+01 1.68 3.260849200e+01 1.70 3.022819158e+01 1.72 2.799721636e+01 1.74 2.590545841e+01 1.76 2.394346245e+01 1.78 2.205765168e+01 1.80 2.032554778e+01 1.82 1.869539958e+01 1.84 1.716253758e+01 1.86 1.572092381e+01 1.88 1.436526871e+01 1.90 1.309090098e+01 1.92 1.189329918e+01 1.94 1.076828308e+01 1.96 9.711979009e+00 1.98 8.720451400e+00 2.00 7.790633980e+00 2.02 6.919393202e+00 2.04 6.103746525e+00 2.06 5.340877803e+00 2.08 4.628119946e+00 2.10 3.962940152e+00 2.12 3.342927306e+00 2.14 2.765781282e+00 2.16 2.229146960e+00 2.18 1.730969618e+00 2.20 1.269379385e+00 2.22 8.424303801e-01 2.24 4.482398216e-01 2.26 8.503533678e-02 2.28 -2.488947056e-01 2.30 -5.551942039e-01 2.32 -8.354416440e-01 2.34 -1.091152076e+00 2.36 -1.323690048e+00 2.38 -1.534452823e+00 2.40 -1.724842881e+00 2.42 -1.896239463e+00 2.44 -2.049780476e+00 2.46 -2.186616024e+00 2.48 -2.307833528e+00 2.50 -2.414422877e+00 2.52 -2.507497013e+00 2.54 -2.588008659e+00 2.56 -2.656860953e+00 2.58 -2.714908470e+00 2.60 -2.762958465e+00 2.62 -2.801727135e+00 2.64 -2.831872756e+00 2.66 -2.854178363e+00 2.68 -2.869277412e+00 2.70 -2.877765431e+00 2.72 -2.880200214e+00 2.74 -2.877103581e+00 2.76 -2.868963099e+00 2.78 -2.856257986e+00 2.80 -2.839455378e+00 2.82 -2.818875401e+00 2.84 -2.794886578e+00 2.86 -2.767831420e+00 2.88 -2.738026838e+00 2.90 -2.705815380e+00 2.92 -2.671773382e+00 2.94 -2.635608192e+00 2.96 -2.597728941e+00 2.98 -2.558368275e+00 3.00 -2.517608813e+00 3.02 -2.475430066e+00 3.04 -2.432349577e+00 3.06 -2.388516086e+00 3.08 -2.344073283e+00 3.10 -2.299153249e+00 3.12 -2.253877225e+00 3.14 -2.208356076e+00 3.16 -2.162691232e+00 3.18 -2.116975931e+00 3.20 -2.071294549e+00 3.22 -2.025724314e+00 3.24 -1.980335769e+00 3.26 -1.935192049e+00 3.28 -1.890351713e+00 3.30 -1.845865702e+00 3.32 -1.801782421e+00 3.34 -1.758142638e+00 3.36 -1.714984730e+00 3.38 -1.672343149e+00 3.40 -1.630276630e+00 3.42 -1.589211506e+00 3.44 -1.548716015e+00 3.46 -1.508810685e+00 3.48 -1.469520632e+00 3.50 -1.430854481e+00 3.52 -1.392826798e+00 3.54 -1.355454045e+00 3.56 -1.318758032e+00 3.58 -1.282738500e+00 3.60 -1.247394100e+00 3.62 -1.212709553e+00 3.64 -1.178676941e+00 3.66 -1.145257509e+00 3.68 -1.112459267e+00 3.70 -1.080316904e+00 3.72 -1.048862275e+00 3.74 -1.018112334e+00 3.76 -9.879551471e-01 3.78 -9.581930535e-01 3.80 -9.290042217e-01 3.82 -9.005447075e-01 3.84 -8.729078657e-01 3.86 -8.460929056e-01 3.88 -8.202039601e-01 3.90 -7.953293086e-01 3.92 -7.717489327e-01 3.94 -7.493095107e-01 3.96 -7.276575678e-01 3.98 -7.065382541e-01 4.00 -6.858357034e-01 4.02 -6.653084568e-01 4.04 -6.447493961e-01 4.06 -6.240240436e-01 4.08 -6.030549224e-01 4.10 -5.818086478e-01 4.12 -5.602853225e-01 4.14 -5.385098739e-01 4.16 -5.164942925e-01 4.18 -4.942366540e-01 4.20 -4.719244611e-01 4.22 -4.497237811e-01 4.24 -4.277387464e-01 4.26 -4.061198533e-01 4.28 -3.849997233e-01 4.30 -3.644786196e-01 4.32 -3.446301233e-01 4.34 -3.255059146e-01 4.36 -3.071397949e-01 4.38 -2.895510612e-01 4.40 -2.727473309e-01 4.42 -2.567269002e-01 4.44 -2.414807083e-01 4.46 -2.269939698e-01 4.48 -2.132475249e-01 4.50 -2.002189510e-01 4.52 -1.878834762e-01 4.54 -1.762147244e-01 4.56 -1.651853216e-01 4.58 -1.547673833e-01 4.60 -1.449329045e-01 4.62 -1.356540677e-01 4.64 -1.269034845e-01 4.66 -1.186543812e-01 4.68 -1.108807381e-01 4.70 -1.035573910e-01 4.72 -9.666010178e-02 4.74 -9.016560539e-02 4.76 -8.405163588e-02 4.78 -7.829693609e-02 4.80 -7.287327475e-02 4.82 -6.800532435e-02 4.84 -6.351428584e-02 4.86 -5.928393700e-02 4.88 -5.529962609e-02 4.90 -5.154746185e-02 4.92 -4.801428499e-02 4.94 -4.468763885e-02 4.96 -4.155573892e-02 4.98 -3.860744243e-02 5.00 -3.583221829e-02 5.02 -3.322011770e-02 5.04 -3.076174527e-02 5.06 -2.844823065e-02 5.08 -2.627120136e-02 5.10 -2.422275663e-02 5.12 -2.229544247e-02 5.14 -2.048222750e-02 5.16 -1.877647982e-02 5.18 -1.717194516e-02 5.20 -1.566272608e-02 5.22 -1.424326234e-02 5.24 -1.290831190e-02 5.26 -1.165293311e-02 5.28 -1.047246784e-02 5.30 -9.362525669e-03 5.32 -8.318968718e-03 5.34 -7.337897324e-03 5.36 -6.415636530e-03 5.38 -5.548723378e-03 5.40 -4.733894973e-03 5.42 -3.968077046e-03 5.44 -3.248373192e-03 5.46 -2.572054752e-03 5.48 -1.936551313e-03 5.50 -1.339441732e-03 5.52 -7.784455532e-04 5.54 -2.480302236e-04 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