# 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 = NiPb2 # 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 3.761281744e+02 1.16 3.493614121e+02 1.18 3.246234174e+02 1.20 3.017428576e+02 1.22 2.805643871e+02 1.24 2.609454518e+02 1.26 2.427558967e+02 1.28 2.258786363e+02 1.30 2.102090447e+02 1.32 1.956529549e+02 1.34 1.821240706e+02 1.36 1.695418995e+02 1.38 1.578311866e+02 1.40 1.469227756e+02 1.42 1.367545119e+02 1.44 1.272710212e+02 1.46 1.184225903e+02 1.48 1.101640427e+02 1.50 1.024540067e+02 1.52 9.525427948e+01 1.54 8.852917587e+01 1.56 8.225582306e+01 1.58 7.641462465e+01 1.60 7.097329840e+01 1.62 6.590212689e+01 1.64 6.117411062e+01 1.66 5.676486516e+01 1.68 5.265230394e+01 1.70 4.881622906e+01 1.72 4.523799448e+01 1.74 4.190029266e+01 1.76 3.878705283e+01 1.78 3.588335545e+01 1.80 3.317530431e+01 1.82 3.064990307e+01 1.84 2.829497403e+01 1.86 2.609911680e+01 1.88 2.405168131e+01 1.90 2.214270280e+01 1.92 2.036281126e+01 1.94 1.870318722e+01 1.96 1.715554022e+01 1.98 1.571212337e+01 2.00 1.436574351e+01 2.02 1.310975604e+01 2.04 1.193804196e+01 2.06 1.084497936e+01 2.08 9.825417326e+00 2.10 8.874640939e+00 2.12 7.988335918e+00 2.14 7.162535210e+00 2.16 6.393563459e+00 2.18 5.677985244e+00 2.20 5.012562320e+00 2.22 4.394228702e+00 2.24 3.820078192e+00 2.26 3.287359761e+00 2.28 2.793473239e+00 2.30 2.335958604e+00 2.32 1.912474541e+00 2.34 1.520783900e+00 2.36 1.158732734e+00 2.38 8.242478504e-01 2.40 5.153477185e-01 2.42 2.301625382e-01 2.44 -3.304101750e-02 2.46 -2.758451689e-01 2.48 -4.996781797e-01 2.50 -7.058201019e-01 2.52 -8.954168664e-01 2.54 -1.069498956e+00 2.56 -1.229001336e+00 2.58 -1.374782235e+00 2.60 -1.507590372e+00 2.62 -1.628035727e+00 2.64 -1.736713481e+00 2.66 -1.834221282e+00 2.68 -1.921167439e+00 2.70 -1.998172873e+00 2.72 -2.065870692e+00 2.74 -2.124901265e+00 2.76 -2.175902433e+00 2.78 -2.219495179e+00 2.80 -2.256272106e+00 2.82 -2.286780066e+00 2.84 -2.311516417e+00 2.86 -2.330926740e+00 2.88 -2.345408590e+00 2.90 -2.355318346e+00 2.92 -2.360979053e+00 2.94 -2.362761892e+00 2.96 -2.360943623e+00 2.98 -2.355691830e+00 3.00 -2.347186555e+00 3.02 -2.335619351e+00 3.04 -2.321190589e+00 3.06 -2.304112973e+00 3.08 -2.284600711e+00 3.10 -2.262867455e+00 3.12 -2.239103720e+00 3.14 -2.213501151e+00 3.16 -2.186251928e+00 3.18 -2.157549147e+00 3.20 -2.127581726e+00 3.22 -2.096530340e+00 3.24 -2.064563578e+00 3.26 -2.031834809e+00 3.28 -1.998480230e+00 3.30 -1.964618301e+00 3.32 -1.930350464e+00 3.34 -1.895762772e+00 3.36 -1.860927949e+00 3.38 -1.825907478e+00 3.40 -1.790752885e+00 3.42 -1.755509470e+00 3.44 -1.720213856e+00 3.46 -1.684897442e+00 3.48 -1.649586579e+00 3.50 -1.614303486e+00 3.52 -1.579067319e+00 3.54 -1.543895446e+00 3.56 -1.508804918e+00 3.58 -1.473814064e+00 3.60 -1.438944132e+00 3.62 -1.404220817e+00 3.64 -1.369675524e+00 3.66 -1.335346188e+00 3.68 -1.301277469e+00 3.70 -1.267520193e+00 3.72 -1.234129972e+00 3.74 -1.201165059e+00 3.76 -1.168683632e+00 3.78 -1.136740833e+00 3.80 -1.105385960e+00 3.82 -1.074660187e+00 3.84 -1.044595098e+00 3.86 -1.015212141e+00 3.88 -9.865229569e-01 3.90 -9.585303744e-01 3.92 -9.312286875e-01 3.94 -9.046099657e-01 3.96 -8.786580673e-01 3.98 -8.533551896e-01 4.00 -8.286814930e-01 4.02 -8.046158381e-01 4.04 -7.811362736e-01 4.06 -7.582203247e-01 4.08 -7.358451405e-01 4.10 -7.139861774e-01 4.12 -6.926229902e-01 4.14 -6.717301921e-01 4.16 -6.512838960e-01 4.18 -6.312601692e-01 4.20 -6.116352696e-01 4.22 -5.923859947e-01 4.24 -5.734901589e-01 4.26 -5.549272047e-01 4.28 -5.366789428e-01 4.30 -5.187304001e-01 4.32 -5.010707350e-01 4.34 -4.836941547e-01 4.36 -4.666007424e-01 4.38 -4.497970836e-01 4.40 -4.332965652e-01 4.42 -4.171192325e-01 4.44 -4.012911119e-01 4.46 -3.858429700e-01 4.48 -3.708085494e-01 4.50 -3.562224095e-01 4.52 -3.421175745e-01 4.54 -3.285232343e-01 4.56 -3.154627517e-01 4.58 -3.029521799e-01 4.60 -2.909994223e-01 4.62 -2.796040637e-01 4.64 -2.687578150e-01 4.66 -2.584454401e-01 4.68 -2.486460003e-01 4.70 -2.393342446e-01 4.72 -2.304819986e-01 4.74 -2.220594388e-01 4.76 -2.140361828e-01 4.78 -2.063821631e-01 4.80 -1.990662100e-01 4.82 -1.920651208e-01 4.84 -1.853504727e-01 4.86 -1.788981624e-01 4.88 -1.726859890e-01 4.90 -1.666936334e-01 4.92 -1.609025927e-01 4.94 -1.552960979e-01 4.96 -1.498590242e-01 4.98 -1.445778090e-01 5.00 -1.394403848e-01 5.02 -1.344361302e-01 5.04 -1.295558423e-01 5.06 -1.247917279e-01 5.08 -1.201374070e-01 5.10 -1.155879250e-01 5.12 -1.111397637e-01 5.14 -1.067908409e-01 5.16 -1.025404869e-01 5.18 -9.838938666e-02 5.20 -9.433947729e-02 5.22 -9.039379515e-02 5.24 -8.655626855e-02 5.26 -8.283137097e-02 5.28 -7.922326531e-02 5.30 -7.573699663e-02 5.32 -7.237747669e-02 5.34 -6.914892057e-02 5.36 -6.605456989e-02 5.38 -6.309647662e-02 5.40 -6.027536072e-02 5.42 -5.759054771e-02 5.44 -5.503998426e-02 5.46 -5.262032311e-02 5.48 -5.032706367e-02 5.50 -4.815473172e-02 5.52 -4.609708105e-02 5.54 -4.414730132e-02 5.56 -4.229821885e-02 5.58 -4.054248073e-02 5.60 -3.887271576e-02 5.62 -3.728166930e-02 5.64 -3.576231158e-02 5.66 -3.430792094e-02 5.68 -3.291214507e-02 5.70 -3.156904371e-02 5.72 -3.027311673e-02 5.74 -2.901932132e-02 5.76 -2.780308161e-02 5.78 -2.662029348e-02 5.80 -2.546732693e-02 5.82 -2.434102725e-02 5.84 -2.323871611e-02 5.86 -2.215819262e-02 5.88 -2.109773395e-02 5.90 -2.005609465e-02 5.92 -1.903250320e-02 5.94 -1.802665402e-02 5.96 -1.703869327e-02 5.98 -1.606919586e-02 6.00 -1.511913313e-02