# 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 = CuPt2 # 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 1.179513287e+03 0.86 1.067883760e+03 0.88 9.675028039e+02 0.90 8.771233979e+02 0.92 7.956640415e+02 0.94 7.221697339e+02 0.96 6.558113245e+02 0.98 5.958453602e+02 1.00 5.416248750e+02 1.02 4.925653242e+02 1.04 4.481515293e+02 1.06 4.079264306e+02 1.08 3.714745024e+02 1.10 3.384289217e+02 1.12 3.084582767e+02 1.14 2.812634942e+02 1.16 2.565724867e+02 1.18 2.341465940e+02 1.20 2.137685914e+02 1.22 1.952413240e+02 1.24 1.783887019e+02 1.26 1.630496174e+02 1.28 1.490801580e+02 1.30 1.363483206e+02 1.32 1.247374626e+02 1.34 1.141413532e+02 1.36 1.044631537e+02 1.38 9.561504360e+01 1.40 8.752047658e+01 1.42 8.010776675e+01 1.44 7.331402598e+01 1.46 6.708197980e+01 1.48 6.135929304e+01 1.50 5.609875631e+01 1.52 5.125795274e+01 1.54 4.679835742e+01 1.56 4.268568156e+01 1.58 3.888882702e+01 1.60 3.538077714e+01 1.62 3.213624865e+01 1.64 2.913242343e+01 1.66 2.635051796e+01 1.68 2.377765124e+01 1.70 2.140673890e+01 1.72 1.922176865e+01 1.74 1.720813856e+01 1.76 1.535170398e+01 1.78 1.363985994e+01 1.80 1.206277982e+01 1.82 1.061057828e+01 1.84 9.250460727e+00 1.86 8.003422081e+00 1.88 6.842340335e+00 1.90 5.761762954e+00 1.92 4.757189615e+00 1.94 3.824418633e+00 1.96 2.959610013e+00 1.98 2.158921833e+00 2.00 1.419051679e+00 2.02 7.369885582e-01 2.04 1.097258312e-01 2.06 -4.658342735e-01 2.08 -9.921638026e-01 2.10 -1.472093701e+00 2.12 -1.908525641e+00 2.14 -2.303783891e+00 2.16 -2.660420782e+00 2.18 -2.980527239e+00 2.20 -3.265399019e+00 2.22 -3.518502873e+00 2.24 -3.741931129e+00 2.26 -3.937697382e+00 2.28 -4.107728227e+00 2.30 -4.253949648e+00 2.32 -4.378280899e+00 2.34 -4.481670970e+00 2.36 -4.565921614e+00 2.38 -4.632755687e+00 2.40 -4.683263817e+00 2.42 -4.718933390e+00 2.44 -4.741210804e+00 2.46 -4.751259377e+00 2.48 -4.750168961e+00 2.50 -4.738958796e+00 2.52 -4.718580478e+00 2.54 -4.689921016e+00 2.56 -4.653805918e+00 2.58 -4.610962400e+00 2.60 -4.563919588e+00 2.62 -4.512022499e+00 2.64 -4.455335168e+00 2.66 -4.394770054e+00 2.68 -4.330816781e+00 2.70 -4.263623219e+00 2.72 -4.192744639e+00 2.74 -4.118230692e+00 2.76 -4.041231552e+00 2.78 -3.962575005e+00 2.80 -3.882851905e+00 2.82 -3.802159328e+00 2.84 -3.720756481e+00 2.86 -3.638879525e+00 2.88 -3.556743259e+00 2.90 -3.474542667e+00 2.92 -3.392454400e+00 2.94 -3.310638144e+00 2.96 -3.229237889e+00 2.98 -3.148383128e+00 3.00 -3.068189971e+00 3.02 -2.988764900e+00 3.04 -2.910455034e+00 3.06 -2.833419507e+00 3.08 -2.757363619e+00 3.10 -2.682357009e+00 3.12 -2.608456574e+00 3.14 -2.535711757e+00 3.16 -2.464164498e+00 3.18 -2.393851051e+00 3.20 -2.324801227e+00 3.22 -2.257039601e+00 3.24 -2.190577542e+00 3.26 -2.126413045e+00 3.28 -2.063881539e+00 3.30 -2.002609904e+00 3.32 -1.942610071e+00 3.34 -1.883907255e+00 3.36 -1.826431838e+00 3.38 -1.770021656e+00 3.40 -1.714597146e+00 3.42 -1.660270447e+00 3.44 -1.607114333e+00 3.46 -1.555179769e+00 3.48 -1.504524919e+00 3.50 -1.455173653e+00 3.52 -1.407085193e+00 3.54 -1.360226880e+00 3.56 -1.314586478e+00 3.58 -1.270153317e+00 3.60 -1.226915996e+00 3.62 -1.184832467e+00 3.64 -1.143880987e+00 3.66 -1.104053669e+00 3.68 -1.065339462e+00 3.70 -1.027728577e+00 3.72 -9.911386544e-01 3.74 -9.554755973e-01 3.76 -9.207924612e-01 3.78 -8.871326034e-01 3.80 -8.545263626e-01 3.82 -8.229926573e-01 3.84 -7.925322112e-01 3.86 -7.631679736e-01 3.88 -7.349954573e-01 3.90 -7.078301077e-01 3.92 -6.814914719e-01 3.94 -6.558373384e-01 3.96 -6.307247177e-01 3.98 -6.060958546e-01 4.00 -5.819234897e-01 4.02 -5.581938167e-01 4.04 -5.349030068e-01 4.06 -5.120543927e-01 4.08 -4.896562054e-01 4.10 -4.677178299e-01 4.12 -4.462161993e-01 4.14 -4.251813602e-01 4.16 -4.046461619e-01 4.18 -3.846364450e-01 4.20 -3.651720277e-01 4.22 -3.462675456e-01 4.24 -3.279331675e-01 4.26 -3.101752082e-01 4.28 -2.929966601e-01 4.30 -2.763976444e-01 4.32 -2.603758083e-01 4.34 -2.449248896e-01 4.36 -2.300135148e-01 4.38 -2.156497500e-01 4.40 -2.018491144e-01 4.42 -1.886190986e-01 4.44 -1.759606790e-01 4.46 -1.638695937e-01 4.48 -1.523374180e-01 4.50 -1.413524665e-01 4.52 -1.309005467e-01 4.54 -1.209655871e-01 4.56 -1.115301579e-01 4.58 -1.025785674e-01 4.60 -9.464563629e-02 4.62 -8.765464665e-02 4.64 -8.101415655e-02 4.66 -7.470982067e-02 4.68 -6.872732641e-02 4.70 -6.305250826e-02 4.72 -5.767143870e-02 4.74 -5.257049975e-02 4.76 -4.773643615e-02 4.78 -4.315639620e-02 4.80 -3.881796058e-02 4.82 -3.470916175e-02 4.84 -3.081849560e-02 4.86 -2.713492640e-02 4.88 -2.364788766e-02 4.90 -2.034727757e-02 4.92 -1.722293076e-02 4.94 -1.421771512e-02 4.96 -1.222654418e-02 4.98 -1.114369020e-02 5.00 -1.008916415e-02 5.02 -9.095780785e-03 5.04 -8.160344140e-03 5.06 -7.279589351e-03 5.08 -6.450422564e-03 5.10 -5.669914054e-03 5.12 -4.935291248e-03 5.14 -4.243931704e-03 5.16 -3.593356153e-03 5.18 -2.981221652e-03 5.20 -2.405314876e-03 5.22 -1.863545589e-03 5.24 -1.353940338e-03 5.26 -8.746363732e-04 5.28 -4.241493236e-04 5.30 -6.636488469e-16 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