# 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 = Pd2Pt # 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 1.415511608e+03 0.86 1.287782845e+03 0.88 1.173032452e+03 0.90 1.069753105e+03 0.92 9.766353736e+02 0.94 8.925420899e+02 0.96 8.164810426e+02 0.98 7.475835611e+02 1.00 6.850871101e+02 1.02 6.283202993e+02 1.04 5.766926410e+02 1.06 5.296820132e+02 1.08 4.868252015e+02 1.10 4.477115325e+02 1.12 4.119760239e+02 1.14 3.792928557e+02 1.16 3.493723387e+02 1.18 3.219547869e+02 1.20 2.968075090e+02 1.22 2.737214723e+02 1.24 2.525090430e+02 1.26 2.330019657e+02 1.28 2.150486661e+02 1.30 1.985119477e+02 1.32 1.832686778e+02 1.34 1.692072083e+02 1.36 1.562265899e+02 1.38 1.442353573e+02 1.40 1.331501977e+02 1.42 1.228959112e+02 1.44 1.134042895e+02 1.46 1.046129532e+02 1.48 9.646518909e+01 1.50 8.890963027e+01 1.52 8.189924265e+01 1.54 7.539085401e+01 1.56 6.934515858e+01 1.58 6.372645649e+01 1.60 5.850210957e+01 1.62 5.364210354e+01 1.64 4.911877423e+01 1.66 4.490700648e+01 1.68 4.098366711e+01 1.70 3.732748324e+01 1.72 3.391889767e+01 1.74 3.073328183e+01 1.76 2.778125572e+01 1.78 2.504410886e+01 1.80 2.250794029e+01 1.82 2.015981490e+01 1.84 1.798756642e+01 1.86 1.597979418e+01 1.88 1.412564653e+01 1.90 1.241483956e+01 1.92 1.083828791e+01 1.94 9.387141743e+00 1.96 8.053075932e+00 1.98 6.828254813e+00 2.00 5.705300305e+00 2.02 4.677263261e+00 2.04 3.737597731e+00 2.06 2.879884681e+00 2.08 2.098119406e+00 2.10 1.387364763e+00 2.12 7.421314722e-01 2.14 1.576069628e-01 2.16 -3.705079151e-01 2.18 -8.464649950e-01 2.20 -1.274246708e+00 2.22 -1.656719915e+00 2.24 -1.998023118e+00 2.26 -2.301634808e+00 2.28 -2.570589036e+00 2.30 -2.807825922e+00 2.32 -3.016196013e+00 2.34 -3.197775627e+00 2.36 -3.354621859e+00 2.38 -3.488864827e+00 2.40 -3.602584631e+00 2.42 -3.697561452e+00 2.44 -3.775440073e+00 2.46 -3.837264038e+00 2.48 -3.884603437e+00 2.50 -3.919071358e+00 2.52 -3.941850710e+00 2.54 -3.954028076e+00 2.56 -3.956602547e+00 2.58 -3.950492595e+00 2.60 -3.936542493e+00 2.62 -3.915528243e+00 2.64 -3.888163281e+00 2.66 -3.855407803e+00 2.68 -3.817839316e+00 2.70 -3.775698541e+00 2.72 -3.729493902e+00 2.74 -3.679707572e+00 2.76 -3.626320444e+00 2.78 -3.570926366e+00 2.80 -3.513931044e+00 2.82 -3.454838394e+00 2.84 -3.392290577e+00 2.86 -3.327904827e+00 2.88 -3.262372736e+00 2.90 -3.195906053e+00 2.92 -3.128724435e+00 2.94 -3.061024874e+00 2.96 -2.992987491e+00 2.98 -2.924776788e+00 3.00 -2.856542809e+00 3.02 -2.788422202e+00 3.04 -2.720539222e+00 3.06 -2.653006657e+00 3.08 -2.585926582e+00 3.10 -2.519391141e+00 3.12 -2.453483415e+00 3.14 -2.388278042e+00 3.16 -2.323841502e+00 3.18 -2.260233300e+00 3.20 -2.197506031e+00 3.22 -2.135705838e+00 3.24 -2.074862672e+00 3.26 -2.016322019e+00 3.28 -1.959202706e+00 3.30 -1.903038241e+00 3.32 -1.847857355e+00 3.34 -1.793681133e+00 3.36 -1.740535067e+00 3.38 -1.688439523e+00 3.40 -1.637397234e+00 3.42 -1.587415281e+00 3.44 -1.538514864e+00 3.46 -1.490656903e+00 3.48 -1.443736609e+00 3.50 -1.397637596e+00 3.52 -1.352359963e+00 3.54 -1.308012386e+00 3.56 -1.264727349e+00 3.58 -1.222580164e+00 3.60 -1.181557390e+00 3.62 -1.141623904e+00 3.64 -1.102753325e+00 3.66 -1.064922873e+00 3.68 -1.028109836e+00 3.70 -9.923017676e-01 3.72 -9.574889203e-01 3.74 -9.236619936e-01 3.76 -8.908117302e-01 3.78 -8.588793058e-01 3.80 -8.278184851e-01 3.82 -7.976477549e-01 3.84 -7.683792620e-01 3.86 -7.400194984e-01 3.88 -7.125700790e-01 3.90 -6.859924917e-01 3.92 -6.602613428e-01 3.94 -6.354460785e-01 3.96 -6.114877438e-01 3.98 -5.883121129e-01 4.00 -5.658609281e-01 4.02 -5.440887992e-01 4.04 -5.229606051e-01 4.06 -5.024662053e-01 4.08 -4.826205911e-01 4.10 -4.633412508e-01 4.12 -4.445565240e-01 4.14 -4.262128325e-01 4.16 -4.082701289e-01 4.18 -3.906655575e-01 4.20 -3.733976098e-01 4.22 -3.564921600e-01 4.24 -3.399704036e-01 4.26 -3.238494138e-01 4.28 -3.081426291e-01 4.30 -2.928602813e-01 4.32 -2.780093787e-01 4.34 -2.635680327e-01 4.36 -2.495476922e-01 4.38 -2.359778233e-01 4.40 -2.228789281e-01 4.42 -2.102640390e-01 4.44 -1.981399987e-01 4.46 -1.865085538e-01 4.48 -1.753672881e-01 4.50 -1.647104164e-01 4.52 -1.545294586e-01 4.54 -1.448138102e-01 4.56 -1.355512241e-01 4.58 -1.267301781e-01 4.60 -1.187446438e-01 4.62 -1.115419457e-01 4.64 -1.046855679e-01 4.66 -9.816264191e-02 4.68 -9.196018318e-02 4.70 -8.606521045e-02 4.72 -8.046484331e-02 4.74 -7.514638084e-02 4.76 -7.009736437e-02 4.78 -6.530562676e-02 4.80 -6.075933032e-02 4.82 -5.644699517e-02 4.84 -5.235751956e-02 4.86 -4.848019347e-02 4.88 -4.480470671e-02 4.90 -4.132115237e-02 4.92 -3.802002648e-02 4.94 -3.489222463e-02 4.96 -3.192903625e-02 4.98 -2.912213677e-02 5.00 -2.646357841e-02 5.02 -2.394577973e-02 5.04 -2.156151438e-02 5.06 -1.930389918e-02 5.08 -1.716638179e-02 5.10 -1.514272823e-02 5.12 -1.322701027e-02 5.14 -1.141359285e-02 5.16 -9.697121713e-03 5.18 -8.072511098e-03 5.20 -6.534931822e-03 5.22 -5.079799561e-03 5.24 -3.702763521e-03 5.26 -2.399695467e-03 5.28 -1.167435294e-03 5.30 -1.825648236e-15 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 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