# 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 = AgTi2 # 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 3.319273566e+02 1.16 3.064266490e+02 1.18 2.829739601e+02 1.20 2.613868139e+02 1.22 2.415009002e+02 1.24 2.231687064e+02 1.26 2.062586991e+02 1.28 1.906538180e+02 1.30 1.762484115e+02 1.32 1.629451018e+02 1.34 1.506532277e+02 1.36 1.392888742e+02 1.38 1.287754124e+02 1.40 1.190435328e+02 1.42 1.100306157e+02 1.44 1.016799838e+02 1.46 9.394026738e+01 1.48 8.676474309e+01 1.50 8.011071578e+01 1.52 7.393902274e+01 1.54 6.821363597e+01 1.56 6.290136198e+01 1.58 5.797158108e+01 1.60 5.339598058e+01 1.62 4.914835083e+01 1.64 4.520484498e+01 1.66 4.154333695e+01 1.68 3.814301031e+01 1.70 3.498586563e+01 1.72 3.205417917e+01 1.74 2.933131980e+01 1.76 2.680215620e+01 1.78 2.445284196e+01 1.80 2.227062203e+01 1.82 2.024374380e+01 1.84 1.836141961e+01 1.86 1.661376299e+01 1.88 1.499167738e+01 1.90 1.348673043e+01 1.92 1.209104663e+01 1.94 1.079723495e+01 1.96 9.598352786e+00 1.98 8.487891029e+00 2.00 7.459753835e+00 2.02 6.508219166e+00 2.04 5.627894085e+00 2.06 4.813693608e+00 2.08 4.060858399e+00 2.10 3.364995321e+00 2.12 2.722102183e+00 2.14 2.128550225e+00 2.16 1.581028427e+00 2.18 1.076472406e+00 2.20 6.119994089e-01 2.22 1.848594323e-01 2.24 -2.075906318e-01 2.26 -5.678860721e-01 2.28 -8.984295777e-01 2.30 -1.201454718e+00 2.32 -1.478998530e+00 2.34 -1.732893367e+00 2.36 -1.964780164e+00 2.38 -2.176135099e+00 2.40 -2.368301675e+00 2.42 -2.542521565e+00 2.44 -2.700029078e+00 2.46 -2.842010560e+00 2.48 -2.969355639e+00 2.50 -3.082945669e+00 2.52 -3.183659937e+00 2.54 -3.272367080e+00 2.56 -3.349916056e+00 2.58 -3.417127204e+00 2.60 -3.474655486e+00 2.62 -3.522884164e+00 2.64 -3.562211812e+00 2.66 -3.593072332e+00 2.68 -3.615916399e+00 2.70 -3.631196257e+00 2.72 -3.639355488e+00 2.74 -3.640823738e+00 2.76 -3.636015351e+00 2.78 -3.625330474e+00 2.80 -3.609158058e+00 2.82 -3.587878883e+00 2.84 -3.561869939e+00 2.86 -3.531508076e+00 2.88 -3.497172459e+00 2.90 -3.459244583e+00 2.92 -3.418171902e+00 2.94 -3.374380660e+00 2.96 -3.328118564e+00 2.98 -3.279635148e+00 3.00 -3.229182640e+00 3.02 -3.177015349e+00 3.04 -3.123388763e+00 3.06 -3.068556795e+00 3.08 -3.012764890e+00 3.10 -2.956248171e+00 3.12 -2.899221662e+00 3.14 -2.841868748e+00 3.16 -2.784339974e+00 3.18 -2.726755984e+00 3.20 -2.669212274e+00 3.22 -2.611784681e+00 3.24 -2.554534465e+00 3.26 -2.497512401e+00 3.28 -2.440761737e+00 3.30 -2.384320160e+00 3.32 -2.328221080e+00 3.34 -2.272494580e+00 3.36 -2.217168371e+00 3.38 -2.162269033e+00 3.40 -2.107823734e+00 3.42 -2.053862760e+00 3.44 -2.000422164e+00 3.46 -1.947547141e+00 3.48 -1.895294897e+00 3.50 -1.843736521e+00 3.52 -1.792956924e+00 3.54 -1.743052135e+00 3.56 -1.694123715e+00 3.58 -1.646270845e+00 3.60 -1.599581414e+00 3.62 -1.554123876e+00 3.64 -1.509941569e+00 3.66 -1.467050486e+00 3.68 -1.425440579e+00 3.70 -1.385079840e+00 3.72 -1.345919969e+00 3.74 -1.307902445e+00 3.76 -1.270964076e+00 3.78 -1.235041515e+00 3.80 -1.200074575e+00 3.82 -1.166008397e+00 3.84 -1.132794656e+00 3.86 -1.100392015e+00 3.88 -1.068766034e+00 3.90 -1.037888692e+00 3.92 -1.007737608e+00 3.94 -9.782954643e-01 3.96 -9.495486555e-01 3.98 -9.214866978e-01 4.00 -8.941013001e-01 4.02 -8.673856037e-01 4.04 -8.413335301e-01 4.06 -8.159392434e-01 4.08 -7.911967286e-01 4.10 -7.670993959e-01 4.12 -7.436402064e-01 4.14 -7.208109976e-01 4.16 -6.986027972e-01 4.18 -6.770057091e-01 4.20 -6.560089425e-01 4.22 -6.356008699e-01 4.24 -6.157691072e-01 4.26 -5.965006062e-01 4.28 -5.777817547e-01 4.30 -5.595984778e-01 4.32 -5.419363360e-01 4.34 -5.247806164e-01 4.36 -5.081164118e-01 4.38 -4.919286865e-01 4.40 -4.762023248e-01 4.42 -4.609221623e-01 4.44 -4.460729990e-01 4.46 -4.316395976e-01 4.48 -4.176066671e-01 4.50 -4.039588379e-01 4.52 -3.906806307e-01 4.54 -3.777564266e-01 4.56 -3.651704406e-01 4.58 -3.529067060e-01 4.60 -3.409490743e-01 4.62 -3.292812359e-01 4.64 -3.178867666e-01 4.66 -3.067492081e-01 4.68 -2.958521857e-01 4.70 -2.851795728e-01 4.72 -2.747157056e-01 4.74 -2.644456554e-01 4.76 -2.543555602e-01 4.78 -2.444330167e-01 4.80 -2.346674153e-01 4.82 -2.250508897e-01 4.84 -2.155781017e-01 4.86 -2.062472417e-01 4.88 -1.970603351e-01 4.90 -1.880235712e-01 4.92 -1.791474619e-01 4.94 -1.704467722e-01 4.96 -1.619401693e-01 4.98 -1.536495660e-01 5.00 -1.455991574e-01 5.02 -1.378141969e-01 5.04 -1.303195921e-01 5.06 -1.231384408e-01 5.08 -1.162906416e-01 5.10 -1.097917131e-01 5.12 -1.036519321e-01 5.14 -9.787586256e-02 5.16 -9.246228880e-02 5.18 -8.740452131e-02 5.20 -8.269057756e-02 5.22 -7.830471731e-02 5.24 -7.422864458e-02 5.26 -7.044167795e-02 5.28 -6.692169679e-02 5.30 -6.364596750e-02 5.32 -6.059182212e-02 5.34 -5.773718381e-02 5.36 -5.506094829e-02 5.38 -5.254323921e-02 5.40 -5.016556041e-02 5.42 -4.791086855e-02 5.44 -4.576358871e-02 5.46 -4.370959266e-02 5.48 -4.173615667e-02 5.50 -3.983191182e-02 5.52 -3.798679705e-02 5.54 -3.619202172e-02 5.56 -3.444004165e-02 5.58 -3.272454999e-02 5.60 -3.104048124e-02 5.62 -2.938402462e-02 5.64 -2.775264024e-02 5.66 -2.614506935e-02 5.68 -2.456132884e-02 5.70 -2.300267881e-02 5.72 -2.147155333e-02 5.74 -1.997144597e-02 5.76 -1.850674579e-02 5.78 -1.708252469e-02 5.80 -1.570428115e-02 5.82 -1.437765521e-02 5.84 -1.310813173e-02 5.86 -1.190075197e-02 5.88 -1.075985532e-02 5.90 -9.688870043e-03 5.92 -8.690089141e-03 5.94 -7.764566993e-03 5.96 -6.912530146e-03 5.98 -6.133098521e-03 6.00 -5.424375353e-03