# 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 = AuPt2 # 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 1.347754329e+03 0.90 1.231644038e+03 0.92 1.126818521e+03 0.94 1.032018823e+03 0.96 9.461445497e+02 0.98 8.682343266e+02 1.00 7.974434531e+02 1.02 7.330301563e+02 1.04 6.743389854e+02 1.06 6.207915972e+02 1.08 5.718769469e+02 1.10 5.271400057e+02 1.12 4.861773544e+02 1.14 4.486299015e+02 1.16 4.141765968e+02 1.18 3.825310729e+02 1.20 3.534371885e+02 1.22 3.266649601e+02 1.24 3.020069564e+02 1.26 2.792771404e+02 1.28 2.583080940e+02 1.30 2.389489449e+02 1.32 2.210624251e+02 1.34 2.045248771e+02 1.36 1.892243533e+02 1.38 1.750592328e+02 1.40 1.619371889e+02 1.42 1.497742508e+02 1.44 1.384935603e+02 1.46 1.280254084e+02 1.48 1.183060626e+02 1.50 1.092772990e+02 1.52 1.008859147e+02 1.54 9.308321620e+01 1.56 8.582460004e+01 1.58 7.906896542e+01 1.60 7.277845387e+01 1.62 6.691860613e+01 1.64 6.145775788e+01 1.66 5.636666694e+01 1.68 5.161846623e+01 1.70 4.718840551e+01 1.72 4.305365823e+01 1.74 3.919314535e+01 1.76 3.558742323e+01 1.78 3.222785401e+01 1.80 2.910623911e+01 1.82 2.620836867e+01 1.84 2.352069030e+01 1.86 2.102914585e+01 1.88 1.872274286e+01 1.90 1.658956772e+01 1.92 1.461858352e+01 1.94 1.279938051e+01 1.96 1.112216207e+01 1.98 9.577689068e+00 2.00 8.157256662e+00 2.02 6.852683994e+00 2.04 5.656259652e+00 2.06 4.560525809e+00 2.08 3.558430826e+00 2.10 2.643810749e+00 2.12 1.810603694e+00 2.14 1.053335319e+00 2.16 3.666873641e-01 2.18 -2.547892037e-01 2.20 -8.158846676e-01 2.22 -1.321264115e+00 2.24 -1.775048157e+00 2.26 -2.181137816e+00 2.28 -2.543243026e+00 2.30 -2.864905223e+00 2.32 -3.149413983e+00 2.34 -3.399583793e+00 2.36 -3.618289588e+00 2.38 -3.808156286e+00 2.40 -3.970961095e+00 2.42 -4.109558649e+00 2.44 -4.226080584e+00 2.46 -4.322442512e+00 2.48 -4.400419483e+00 2.50 -4.461648248e+00 2.52 -4.507636836e+00 2.54 -4.539773721e+00 2.56 -4.559337057e+00 2.58 -4.567422060e+00 2.60 -4.565127704e+00 2.62 -4.553510473e+00 2.64 -4.533484943e+00 2.66 -4.506222103e+00 2.68 -4.472460966e+00 2.70 -4.432577682e+00 2.72 -4.387221853e+00 2.74 -4.336987035e+00 2.76 -4.282393556e+00 2.78 -4.223006108e+00 2.80 -4.159935974e+00 2.82 -4.094079746e+00 2.84 -4.025791482e+00 2.86 -3.955423934e+00 2.88 -3.883300862e+00 2.90 -3.809765075e+00 2.92 -3.735539653e+00 2.94 -3.660331395e+00 2.96 -3.584372953e+00 2.98 -3.507889781e+00 3.00 -3.430956949e+00 3.02 -3.353587085e+00 3.04 -3.276239469e+00 3.06 -3.199054745e+00 3.08 -3.122166646e+00 3.10 -3.045697127e+00 3.12 -2.969756332e+00 3.14 -2.894443648e+00 3.16 -2.819848483e+00 3.18 -2.746051300e+00 3.20 -2.673124011e+00 3.22 -2.601130262e+00 3.24 -2.530108383e+00 3.26 -2.461089920e+00 3.28 -2.393421871e+00 3.30 -2.326802691e+00 3.32 -2.261266540e+00 3.34 -2.196852211e+00 3.36 -2.133585500e+00 3.38 -2.071481170e+00 3.40 -2.010593916e+00 3.42 -1.951119147e+00 3.44 -1.892685914e+00 3.46 -1.835202731e+00 3.48 -1.778757858e+00 3.50 -1.723506383e+00 3.52 -1.669550670e+00 3.54 -1.616872903e+00 3.56 -1.565445079e+00 3.58 -1.515248886e+00 3.60 -1.466269318e+00 3.62 -1.418493908e+00 3.64 -1.371922436e+00 3.66 -1.326556215e+00 3.68 -1.282373899e+00 3.70 -1.239321901e+00 3.72 -1.197380036e+00 3.74 -1.156533904e+00 3.76 -1.116778575e+00 3.78 -1.078110677e+00 3.80 -1.040402945e+00 3.82 -1.003674211e+00 3.84 -9.679689774e-01 3.86 -9.333202925e-01 3.88 -8.997589529e-01 3.90 -8.673046017e-01 3.92 -8.359674410e-01 3.94 -8.058142274e-01 3.96 -7.767603720e-01 3.98 -7.486299833e-01 4.00 -7.213068172e-01 4.02 -6.947055977e-01 4.04 -6.687655740e-01 4.06 -6.434451785e-01 4.08 -6.187176224e-01 4.10 -5.946042009e-01 4.12 -5.711241774e-01 4.14 -5.481579318e-01 4.16 -5.256149123e-01 4.18 -5.034001049e-01 4.20 -4.814451401e-01 4.22 -4.598082002e-01 4.24 -4.385428963e-01 4.26 -4.176945464e-01 4.28 -3.973010697e-01 4.30 -3.773937797e-01 4.32 -3.579980928e-01 4.34 -3.391314642e-01 4.36 -3.207732565e-01 4.38 -3.029644048e-01 4.40 -2.857543222e-01 4.42 -2.691771787e-01 4.44 -2.532546015e-01 4.46 -2.379979624e-01 4.48 -2.234103113e-01 4.50 -2.094880052e-01 4.52 -1.962220776e-01 4.54 -1.835993864e-01 4.56 -1.716033139e-01 4.58 -1.601935091e-01 4.60 -1.499627467e-01 4.62 -1.408222558e-01 4.64 -1.321312755e-01 4.66 -1.238926038e-01 4.68 -1.160875913e-01 4.70 -1.086974516e-01 4.72 -1.017035245e-01 4.74 -9.508741621e-02 4.76 -8.883110884e-02 4.78 -8.291704431e-02 4.80 -7.732818835e-02 4.82 -7.204807534e-02 4.84 -6.706084063e-02 4.86 -6.235124022e-02 4.88 -5.790466060e-02 4.90 -5.370712109e-02 4.92 -4.974527014e-02 4.94 -4.600637686e-02 4.96 -4.247831807e-02 4.98 -3.914956267e-02 5.00 -3.600915373e-02 5.02 -3.304668959e-02 5.04 -3.025230358e-02 5.06 -2.761664233e-02 5.08 -2.513084444e-02 5.10 -2.278651909e-02 5.12 -2.057572492e-02 5.14 -1.849094882e-02 5.16 -1.652508534e-02 5.18 -1.467141664e-02 5.20 -1.292359314e-02 5.22 -1.127561504e-02 5.24 -9.721813906e-03 5.26 -8.256817943e-03 5.28 -6.876720416e-03 5.30 -5.601713865e-03 5.32 -4.957307541e-03 5.34 -4.369178107e-03 5.36 -3.820326185e-03 5.38 -3.304266427e-03 5.40 -2.819103281e-03 5.42 -2.363046808e-03 5.44 -1.934407009e-03 5.46 -1.531588461e-03 5.48 -1.153085259e-03 5.50 -7.974762160e-04 5.52 -4.634202332e-04 5.54 -1.476377593e-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