# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--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 1.410503099e+03 0.86 1.284063872e+03 0.88 1.170414188e+03 0.90 1.068070551e+03 0.92 9.757449337e+02 0.94 8.923171562e+02 0.96 8.168098603e+02 0.98 7.483682708e+02 1.00 6.862420106e+02 1.02 6.297711430e+02 1.04 5.783740438e+02 1.06 5.315368453e+02 1.08 4.888045686e+02 1.10 4.497731783e+02 1.12 4.140836083e+02 1.14 3.814159478e+02 1.16 3.514849059e+02 1.18 3.240352853e+02 1.20 2.988385455e+02 1.22 2.756894211e+02 1.24 2.544033417e+02 1.26 2.348144127e+02 1.28 2.167733160e+02 1.30 2.001452588e+02 1.32 1.848084148e+02 1.34 1.706526371e+02 1.36 1.575781781e+02 1.38 1.454946000e+02 1.40 1.343196559e+02 1.42 1.239787754e+02 1.44 1.144040114e+02 1.46 1.055335233e+02 1.48 9.731087361e+01 1.50 8.968468013e+01 1.52 8.260801036e+01 1.54 7.603787393e+01 1.56 6.993501626e+01 1.58 6.426348874e+01 1.60 5.899032959e+01 1.62 5.408538469e+01 1.64 4.952094228e+01 1.66 4.527157338e+01 1.68 4.131392708e+01 1.70 3.762652394e+01 1.72 3.418959511e+01 1.74 3.098507154e+01 1.76 2.800791111e+01 1.78 2.524657715e+01 1.80 2.268718096e+01 1.82 2.031681131e+01 1.84 1.812337977e+01 1.86 1.609554697e+01 1.88 1.422258866e+01 1.90 1.249432373e+01 1.92 1.090149188e+01 1.94 9.435255581e+00 1.96 8.087290469e+00 1.98 6.849751051e+00 2.00 5.715239899e+00 2.02 4.676780002e+00 2.04 3.727790030e+00 2.06 2.861879716e+00 2.08 2.073024819e+00 2.10 1.356147580e+00 2.12 7.056769702e-01 2.14 1.167560324e-01 2.16 -4.150089846e-01 2.18 -8.939255605e-01 2.20 -1.324033674e+00 2.22 -1.708469853e+00 2.24 -2.051128611e+00 2.26 -2.355595309e+00 2.28 -2.624959983e+00 2.30 -2.862205188e+00 2.32 -3.070215816e+00 2.34 -3.251151272e+00 2.36 -3.407043377e+00 2.38 -3.540202982e+00 2.40 -3.652667036e+00 2.42 -3.746247865e+00 2.44 -3.822614760e+00 2.46 -3.882976930e+00 2.48 -3.928694130e+00 2.50 -3.961491050e+00 2.52 -3.982566174e+00 2.54 -3.993022768e+00 2.56 -3.993874248e+00 2.58 -3.986051278e+00 2.60 -3.970408387e+00 2.62 -3.947730115e+00 2.64 -3.918736893e+00 2.66 -3.884385028e+00 2.68 -3.845260254e+00 2.70 -3.801616939e+00 2.72 -3.753964716e+00 2.74 -3.702817316e+00 2.76 -3.647811373e+00 2.78 -3.591177520e+00 2.80 -3.532960942e+00 2.82 -3.472790033e+00 2.84 -3.409368362e+00 2.86 -3.343949331e+00 2.88 -3.277417782e+00 2.90 -3.210001736e+00 2.92 -3.141917025e+00 2.94 -3.073359390e+00 2.96 -3.004507584e+00 2.98 -2.935524656e+00 3.00 -2.866559135e+00 3.02 -2.797746128e+00 3.04 -2.729208328e+00 3.06 -2.661056921e+00 3.08 -2.593392406e+00 3.10 -2.526305413e+00 3.12 -2.459877546e+00 3.14 -2.394181853e+00 3.16 -2.329283447e+00 3.18 -2.265240467e+00 3.20 -2.202104015e+00 3.22 -2.139919151e+00 3.24 -2.078714324e+00 3.26 -2.019833969e+00 3.28 -1.962397746e+00 3.30 -1.905938475e+00 3.32 -1.850483224e+00 3.34 -1.796052414e+00 3.36 -1.742667343e+00 3.38 -1.690351936e+00 3.40 -1.639110988e+00 3.42 -1.588945509e+00 3.44 -1.539859513e+00 3.46 -1.491827077e+00 3.48 -1.444751303e+00 3.50 -1.398526527e+00 3.52 -1.353134721e+00 3.54 -1.308676644e+00 3.56 -1.265277488e+00 3.58 -1.223021422e+00 3.60 -1.181898527e+00 3.62 -1.141873210e+00 3.64 -1.102918757e+00 3.66 -1.065012767e+00 3.68 -1.028131393e+00 3.70 -9.922597436e-01 3.72 -9.573875172e-01 3.74 -9.235049561e-01 3.76 -8.906024653e-01 3.78 -8.586374555e-01 3.80 -8.275444615e-01 3.82 -7.973390127e-01 3.84 -7.680339517e-01 3.86 -7.396363642e-01 3.88 -7.121483694e-01 3.90 -6.855361876e-01 3.92 -6.597639596e-01 3.94 -6.349020524e-01 3.96 -6.109156250e-01 3.98 -5.877263890e-01 4.00 -5.652727214e-01 4.02 -5.435064587e-01 4.04 -5.223902095e-01 4.06 -5.019091201e-01 4.08 -4.820804192e-01 4.10 -4.628233984e-01 4.12 -4.440652475e-01 4.14 -4.257514222e-01 4.16 -4.078421518e-01 4.18 -3.902810536e-01 4.20 -3.730489031e-01 4.22 -3.561732167e-01 4.24 -3.396765552e-01 4.26 -3.235770982e-01 4.28 -3.078891742e-01 4.30 -2.926237237e-01 4.32 -2.777885774e-01 4.34 -2.633637015e-01 4.36 -2.493575763e-01 4.38 -2.358000570e-01 4.40 -2.227119640e-01 4.42 -2.101065893e-01 4.44 -1.979909865e-01 4.46 -1.863670725e-01 4.48 -1.752325679e-01 4.50 -1.645817967e-01 4.52 -1.544063655e-01 4.54 -1.446957383e-01 4.56 -1.354377213e-01 4.58 -1.266208443e-01 4.60 -1.186412620e-01 4.62 -1.114463777e-01 4.64 -1.045975305e-01 4.66 -9.808184867e-02 4.68 -9.188634384e-02 4.70 -8.599803097e-02 4.72 -8.040402598e-02 4.74 -7.509162469e-02 4.76 -7.004836568e-02 4.78 -6.526207972e-02 4.80 -6.072092777e-02 4.82 -5.641342936e-02 4.84 -5.232848291e-02 4.86 -4.845537937e-02 4.88 -4.478381032e-02 4.90 -4.130387131e-02 4.92 -3.800606154e-02 4.94 -3.488128047e-02 4.96 -3.192082198e-02 4.98 -2.911636653e-02 5.00 -2.645997187e-02 5.02 -2.394406259e-02 5.04 -2.156141875e-02 5.06 -1.930516395e-02 5.08 -1.716875296e-02 5.10 -1.514595917e-02 5.12 -1.323086194e-02 5.14 -1.141783403e-02 5.16 -9.701529085e-03 5.18 -8.076869404e-03 5.20 -6.539033926e-03 5.22 -5.083446494e-03 5.24 -3.705764502e-03 5.26 -2.401867888e-03 5.28 -1.168605565e-03 5.30 -1.826955403e-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