# 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 = FePt2 # 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 4.015413926e+02 1.16 3.717725559e+02 1.18 3.442767646e+02 1.20 3.188415938e+02 1.22 2.952525175e+02 1.24 2.733160215e+02 1.26 2.528734206e+02 1.28 2.338022361e+02 1.30 2.160074257e+02 1.32 1.994093818e+02 1.34 1.839360195e+02 1.36 1.695179001e+02 1.38 1.560848246e+02 1.40 1.435670519e+02 1.42 1.318986647e+02 1.44 1.210172704e+02 1.46 1.108621565e+02 1.48 1.013758002e+02 1.50 9.250668690e+01 1.52 8.420892947e+01 1.54 7.643912603e+01 1.56 6.915402303e+01 1.58 6.231056660e+01 1.60 5.587347342e+01 1.62 4.994223222e+01 1.64 4.452377451e+01 1.66 3.957220384e+01 1.68 3.505109682e+01 1.70 3.093199464e+01 1.72 2.719137976e+01 1.74 2.380682346e+01 1.76 2.075388254e+01 1.78 1.800519866e+01 1.80 1.553189319e+01 1.82 1.330598430e+01 1.84 1.130235203e+01 1.86 9.499487896e+00 1.88 7.879041522e+00 1.90 6.424668072e+00 1.92 5.120890420e+00 1.94 3.952558247e+00 1.96 2.905029668e+00 1.98 1.964739393e+00 2.00 1.119695722e+00 2.02 3.596586683e-01 2.04 -3.239822047e-01 2.06 -9.384887167e-01 2.08 -1.490087520e+00 2.10 -1.984246377e+00 2.12 -2.425881373e+00 2.14 -2.819482599e+00 2.16 -3.169165065e+00 2.18 -3.478671879e+00 2.20 -3.751364221e+00 2.22 -3.990222392e+00 2.24 -4.197865171e+00 2.26 -4.376583995e+00 2.28 -4.528899366e+00 2.30 -4.659987751e+00 2.32 -4.771086382e+00 2.34 -4.862663605e+00 2.36 -4.935326269e+00 2.38 -4.989855154e+00 2.40 -5.027233934e+00 2.42 -5.048658898e+00 2.44 -5.055519885e+00 2.46 -5.049351585e+00 2.48 -5.031764955e+00 2.50 -5.004374381e+00 2.52 -4.968732688e+00 2.54 -4.926276924e+00 2.56 -4.878282132e+00 2.58 -4.825822718e+00 2.60 -4.769747171e+00 2.62 -4.710673695e+00 2.64 -4.649009072e+00 2.66 -4.584988265e+00 2.68 -4.518709955e+00 2.70 -4.450176839e+00 2.72 -4.379330968e+00 2.74 -4.306073608e+00 2.76 -4.230278058e+00 2.78 -4.151799452e+00 2.80 -4.070485754e+00 2.82 -3.986193233e+00 2.84 -3.898808774e+00 2.86 -3.808267559e+00 2.88 -3.714544371e+00 2.90 -3.617739985e+00 2.92 -3.518128643e+00 2.94 -3.416169111e+00 2.96 -3.312491185e+00 2.98 -3.207853147e+00 3.00 -3.103073496e+00 3.02 -2.998952742e+00 3.04 -2.896393950e+00 3.06 -2.796375656e+00 3.08 -2.699579641e+00 3.10 -2.606391635e+00 3.12 -2.516960653e+00 3.14 -2.431269018e+00 3.16 -2.349198518e+00 3.18 -2.270583868e+00 3.20 -2.195250183e+00 3.22 -2.123035175e+00 3.24 -2.053798933e+00 3.26 -1.987424844e+00 3.28 -1.923815066e+00 3.30 -1.862883435e+00 3.32 -1.804547995e+00 3.34 -1.748724624e+00 3.36 -1.695322614e+00 3.38 -1.644242455e+00 3.40 -1.595375674e+00 3.42 -1.548606291e+00 3.44 -1.503813287e+00 3.46 -1.460873560e+00 3.48 -1.419664856e+00 3.50 -1.380068355e+00 3.52 -1.341970721e+00 3.54 -1.305265535e+00 3.56 -1.269854148e+00 3.58 -1.235646030e+00 3.60 -1.202558707e+00 3.62 -1.170517406e+00 3.64 -1.139454500e+00 3.66 -1.109308837e+00 3.68 -1.080025016e+00 3.70 -1.051552656e+00 3.72 -1.023845699e+00 3.74 -9.968617605e-01 3.76 -9.705615455e-01 3.78 -9.449083403e-01 3.80 -9.198675859e-01 3.82 -8.954065380e-01 3.84 -8.714940202e-01 3.86 -8.481002761e-01 3.88 -8.251969290e-01 3.90 -8.027570572e-01 3.92 -7.807553918e-01 3.94 -7.591686512e-01 3.96 -7.379759890e-01 3.98 -7.171595753e-01 4.00 -6.967052613e-01 4.02 -6.766032892e-01 4.04 -6.568489727e-01 4.06 -6.374432524e-01 4.08 -6.183930042e-01 4.10 -5.997109742e-01 4.12 -5.814152540e-01 4.14 -5.635281609e-01 4.16 -5.460746223e-01 4.18 -5.290800871e-01 4.20 -5.125681847e-01 4.22 -4.965583853e-01 4.24 -4.810639434e-01 4.26 -4.660903706e-01 4.28 -4.516345962e-01 4.30 -4.376848577e-01 4.32 -4.242212437e-01 4.34 -4.112167322e-01 4.36 -3.986385202e-01 4.38 -3.864494498e-01 4.40 -3.746093712e-01 4.42 -3.630763406e-01 4.44 -3.518075947e-01 4.46 -3.407603367e-01 4.48 -3.298923437e-01 4.50 -3.191623786e-01 4.52 -3.085309948e-01 4.54 -2.979621482e-01 4.56 -2.874181454e-01 4.58 -2.768644946e-01 4.60 -2.662708291e-01 4.62 -2.556112708e-01 4.64 -2.448651227e-01 4.66 -2.340177957e-01 4.68 -2.230618799e-01 4.70 -2.119982551e-01 4.72 -2.008371233e-01 4.74 -1.895988253e-01 4.76 -1.783142953e-01 4.78 -1.670250114e-01 4.80 -1.557823242e-01 4.82 -1.446461009e-01 4.84 -1.336826727e-01 4.86 -1.229621928e-01 4.88 -1.125555614e-01 4.90 -1.025311674e-01 4.92 -9.295172565e-02 4.94 -8.387149056e-02 4.96 -7.533408026e-02 4.98 -6.737107027e-02 5.00 -6.000141810e-02 5.02 -5.323168450e-02 5.04 -4.705693722e-02 5.06 -4.146217027e-02 5.08 -3.642404922e-02 5.10 -3.191279885e-02 5.12 -2.789407500e-02 5.14 -2.433070022e-02 5.16 -2.118418395e-02 5.18 -1.841598541e-02 5.20 -1.598850318e-02 5.22 -1.386581719e-02 5.24 -1.201419771e-02 5.26 -1.040228652e-02 5.28 -9.001100578e-03 5.30 -7.785139466e-03 5.32 -6.731416635e-03 5.34 -5.819316954e-03 5.36 -5.030501784e-03 5.38 -4.348764053e-03 5.40 -3.759856288e-03 5.42 -3.251307627e-03 5.44 -2.812240628e-03 5.46 -2.433194862e-03 5.48 -2.105961512e-03 5.50 -1.823431249e-03 5.52 -1.579456342e-03 5.54 -1.368727043e-03 5.56 -1.186661726e-03 5.58 -1.029309932e-03 5.60 -8.932672685e-04 5.62 -7.756010513e-04 5.64 -6.737855675e-04 5.66 -5.856458803e-04 5.68 -5.093091658e-04 5.70 -4.431626548e-04 5.72 -3.858173387e-04 5.74 -3.360766911e-04 5.76 -2.929097357e-04 5.78 -2.554278771e-04 5.80 -2.228649791e-04 5.82 -1.945602423e-04 5.84 -1.699434925e-04 5.86 -1.485225419e-04 5.88 -1.298723320e-04 5.90 -1.136256068e-04 5.92 -9.946489952e-05 5.94 -8.711564711e-05 5.96 -7.634027229e-05 5.98 -6.693309576e-05 6.00 -5.871596085e-05