# 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 = Mo2W # 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 4.528417340e+02 1.16 4.170428788e+02 1.18 3.842075861e+02 1.20 3.540662913e+02 1.22 3.263779040e+02 1.24 3.009254259e+02 1.26 2.775126726e+02 1.28 2.559625164e+02 1.30 2.361143755e+02 1.32 2.178203740e+02 1.34 2.009419937e+02 1.36 1.853491142e+02 1.38 1.709216133e+02 1.40 1.575520024e+02 1.42 1.451471024e+02 1.44 1.336276282e+02 1.46 1.229259755e+02 1.48 1.129834263e+02 1.50 1.037479168e+02 1.52 9.517277224e+01 1.54 8.721609743e+01 1.56 7.984025473e+01 1.58 7.301105295e+01 1.60 6.669663099e+01 1.62 6.086627636e+01 1.64 5.548947688e+01 1.66 5.053540899e+01 1.68 4.597290166e+01 1.70 4.177076712e+01 1.72 3.789832037e+01 1.74 3.432619144e+01 1.76 3.102789192e+01 1.78 2.798408973e+01 1.80 2.517237294e+01 1.82 2.257129626e+01 1.84 2.016252152e+01 1.86 1.793090562e+01 1.88 1.586424383e+01 1.90 1.395268957e+01 1.92 1.218799659e+01 1.94 1.056277627e+01 1.96 9.069915848e+00 1.98 7.702209659e+00 2.00 6.452175368e+00 2.02 5.311991570e+00 2.04 4.273502631e+00 2.06 3.328268160e+00 2.08 2.467663987e+00 2.10 1.683051684e+00 2.12 9.660197511e-01 2.14 3.086700746e-01 2.16 -2.961044107e-01 2.18 -8.544132663e-01 2.20 -1.371278306e+00 2.22 -1.850669900e+00 2.24 -2.295645421e+00 2.26 -2.708545109e+00 2.28 -3.091198989e+00 2.30 -3.445110258e+00 2.32 -3.771597118e+00 2.34 -4.071855102e+00 2.36 -4.347010063e+00 2.38 -4.598343527e+00 2.40 -4.827127915e+00 2.42 -5.034610691e+00 2.44 -5.222004766e+00 2.46 -5.390475308e+00 2.48 -5.541126157e+00 2.50 -5.674987485e+00 2.52 -5.792701942e+00 2.54 -5.894900881e+00 2.56 -5.982433978e+00 2.58 -6.056071558e+00 2.60 -6.116514015e+00 2.62 -6.164405342e+00 2.64 -6.200349255e+00 2.66 -6.224926027e+00 2.68 -6.238591981e+00 2.70 -6.241309127e+00 2.72 -6.232998237e+00 2.74 -6.213687533e+00 2.76 -6.183496632e+00 2.78 -6.142621421e+00 2.80 -6.091321717e+00 2.82 -6.029913150e+00 2.84 -5.958763999e+00 2.86 -5.878296782e+00 2.88 -5.788993216e+00 2.90 -5.691400085e+00 2.92 -5.586132839e+00 2.94 -5.473873551e+00 2.96 -5.355360544e+00 2.98 -5.231368423e+00 3.00 -5.102679256e+00 3.02 -4.970047811e+00 3.04 -4.834165382e+00 3.06 -4.695627419e+00 3.08 -4.554909629e+00 3.10 -4.412355691e+00 3.12 -4.268177630e+00 3.14 -4.122467941e+00 3.16 -3.975221128e+00 3.18 -3.826361702e+00 3.20 -3.675775755e+00 3.22 -3.523343775e+00 3.24 -3.368973009e+00 3.26 -3.212628251e+00 3.28 -3.054360153e+00 3.30 -2.894330165e+00 3.32 -2.732830918e+00 3.34 -2.570300515e+00 3.36 -2.407328988e+00 3.38 -2.244655146e+00 3.40 -2.083152496e+00 3.42 -1.923803733e+00 3.44 -1.767664528e+00 3.46 -1.615818765e+00 3.48 -1.469328677e+00 3.50 -1.329184310e+00 3.52 -1.196257042e+00 3.54 -1.071261478e+00 3.56 -9.547289564e-01 3.58 -8.469943394e-01 3.60 -7.481961216e-01 3.62 -6.582883528e-01 3.64 -5.770618183e-01 3.66 -5.041713554e-01 3.68 -4.391661505e-01 3.70 -3.815202285e-01 3.72 -3.306609563e-01 3.74 -2.859940914e-01 3.76 -2.469245769e-01 3.78 -2.128728505e-01 3.80 -1.832868512e-01 3.82 -1.576501742e-01 3.84 -1.354869700e-01 3.86 -1.163642224e-01 3.88 -9.989201627e-02 3.90 -8.572237238e-02 3.92 -7.354703710e-02 3.94 -6.309465287e-02 3.96 -5.412761691e-02 3.98 -4.643885250e-02 4.00 -3.984855528e-02 4.02 -3.420045044e-02 4.04 -2.936044441e-02 4.06 -2.521320288e-02 4.08 -2.165930453e-02 4.10 -1.861367397e-02 4.12 -1.600321499e-02 4.14 -1.376522001e-02 4.16 -1.184596689e-02 4.18 -1.019947620e-02 4.20 -8.786421949e-03 4.22 -7.573183684e-03 4.24 -6.531025985e-03 4.26 -5.635391269e-03 4.28 -4.865292023e-03 4.30 -4.202789760e-03 4.32 -3.632549068e-03 4.34 -3.141456464e-03 4.36 -2.718294928e-03 4.38 -2.353466182e-03 4.40 -2.038753823e-03 4.42 -1.767121363e-03 4.44 -1.532540048e-03 4.46 -1.329842081e-03 4.48 -1.154595484e-03 4.50 -1.002997401e-03 4.52 -8.717830970e-04 4.54 -7.581483315e-04 4.56 -6.596831113e-04 4.58 -5.743151411e-04 4.60 -5.002615291e-04 4.62 -4.359875270e-04 4.64 -3.801712640e-04 4.66 -3.316735886e-04 4.68 -2.895122684e-04 4.70 -2.528399047e-04 4.72 -2.209250196e-04 4.74 -1.931358499e-04 4.76 -1.689264540e-04 4.78 -1.478247952e-04 4.80 -1.294224910e-04 4.82 -1.133661279e-04 4.84 -9.934956672e-05 4.86 -8.710756074e-05 4.88 -7.641015085e-05 4.90 -6.705786532e-05 4.92 -5.887758690e-05 4.94 -5.171899240e-05 4.96 -4.545148376e-05 4.98 -3.996154138e-05 5.00 -3.515044044e-05 5.02 -3.093227915e-05 5.04 -2.723227574e-05 5.06 -2.398529643e-05 5.08 -2.113458273e-05 5.10 -1.863065018e-05 5.12 -1.643033521e-05 5.14 -1.449596954e-05 5.16 -1.279466485e-05 5.18 -1.129769262e-05 5.20 -9.979946184e-06 5.22 -8.819473892e-06 5.24 -7.797073752e-06 5.26 -6.895941318e-06 5.28 -6.101363654e-06 5.30 -5.400453215e-06 5.32 -4.781916335e-06 5.34 -4.235851718e-06 5.36 -3.753574967e-06 5.38 -3.327465704e-06 5.40 -2.950834319e-06 5.42 -2.617805770e-06 5.44 -2.323218208e-06 5.46 -2.062534488e-06 5.48 -1.831764903e-06 5.50 -1.627399680e-06 5.52 -1.446349979e-06 5.54 -1.285896304e-06 5.56 -1.143643373e-06 5.58 -1.017480621e-06 5.60 -9.055476192e-07 5.62 -8.062037839e-07 5.64 -7.180018321e-07 5.66 -6.396645125e-07 5.68 -5.700641961e-07 5.70 -5.082049699e-07 5.72 -4.532069190e-07 5.74 -4.042923244e-07 5.76 -3.607735381e-07 5.78 -3.220423273e-07 5.80 -2.875605058e-07 5.82 -2.568516949e-07 5.84 -2.294940727e-07 5.86 -2.051139929e-07 5.88 -1.833803655e-07 5.90 -1.639997066e-07 5.92 -1.467117763e-07 5.94 -1.312857330e-07 5.96 -1.175167422e-07 5.98 -1.052229844e-07 6.00 -9.424301483e-08