# 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 = Al2Cu # 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 9.497649909e+01 1.16 8.784489433e+01 1.18 8.126802902e+01 1.20 7.519459948e+01 1.22 6.957625270e+01 1.24 6.436822826e+01 1.26 5.953268686e+01 1.28 5.503976874e+01 1.30 5.086493140e+01 1.32 4.698571426e+01 1.34 4.338053077e+01 1.36 4.002923970e+01 1.38 3.691380959e+01 1.40 3.401810785e+01 1.42 3.132694084e+01 1.44 2.882527880e+01 1.46 2.650219876e+01 1.48 2.434262279e+01 1.50 2.233155916e+01 1.52 2.045692251e+01 1.54 1.870929527e+01 1.56 1.708076542e+01 1.58 1.556390881e+01 1.60 1.415142200e+01 1.62 1.283619360e+01 1.64 1.161141602e+01 1.66 1.047061842e+01 1.68 9.407767132e+00 1.70 8.417493163e+00 1.72 7.495239302e+00 1.74 6.637103089e+00 1.76 5.839448172e+00 1.78 5.098590673e+00 1.80 4.410775197e+00 1.82 3.772380722e+00 1.84 3.180133803e+00 1.86 2.631166073e+00 1.88 2.122904153e+00 1.90 1.652874770e+00 1.92 1.218523340e+00 1.94 8.171251260e-01 1.96 4.458299167e-01 1.98 1.018239555e-01 2.00 -2.174609102e-01 2.02 -5.141781783e-01 2.04 -7.900007605e-01 2.06 -1.046172901e+00 2.08 -1.283645174e+00 2.10 -1.503231445e+00 2.12 -1.705734522e+00 2.14 -1.892015008e+00 2.16 -2.063003569e+00 2.18 -2.219671554e+00 2.20 -2.362981166e+00 2.22 -2.493837751e+00 2.24 -2.613061169e+00 2.26 -2.721381749e+00 2.28 -2.819453883e+00 2.30 -2.907873210e+00 2.32 -2.987185056e+00 2.34 -3.057879069e+00 2.36 -3.120375826e+00 2.38 -3.175017784e+00 2.40 -3.222215910e+00 2.42 -3.263880856e+00 2.44 -3.300125686e+00 2.46 -3.330719477e+00 2.48 -3.355277748e+00 2.50 -3.373573447e+00 2.52 -3.385575373e+00 2.54 -3.391418520e+00 2.56 -3.391374405e+00 2.58 -3.385833776e+00 2.60 -3.375298333e+00 2.62 -3.360329889e+00 2.64 -3.341534091e+00 2.66 -3.319491458e+00 2.68 -3.294716103e+00 2.70 -3.267635402e+00 2.72 -3.238583669e+00 2.74 -3.207806420e+00 2.76 -3.175469746e+00 2.78 -3.141670775e+00 2.80 -3.106448094e+00 2.82 -3.069792443e+00 2.84 -3.031658605e+00 2.86 -2.991978378e+00 2.88 -2.950674356e+00 2.90 -2.907674369e+00 2.92 -2.862926758e+00 2.94 -2.816416802e+00 2.96 -2.768184066e+00 2.98 -2.718339307e+00 3.00 -2.667078025e+00 3.02 -2.614686516e+00 3.04 -2.561536175e+00 3.06 -2.508063590e+00 3.08 -2.454737067e+00 3.10 -2.402015034e+00 3.12 -2.350304152e+00 3.14 -2.299925824e+00 3.16 -2.251096901e+00 3.18 -2.203926426e+00 3.20 -2.158425883e+00 3.22 -2.114528155e+00 3.24 -2.072109975e+00 3.26 -2.031013729e+00 3.28 -1.991066130e+00 3.30 -1.952092798e+00 3.32 -1.913928806e+00 3.34 -1.876425768e+00 3.36 -1.839456162e+00 3.38 -1.802915551e+00 3.40 -1.766723169e+00 3.42 -1.730821295e+00 3.44 -1.695173591e+00 3.46 -1.659762781e+00 3.48 -1.624587779e+00 3.50 -1.589660543e+00 3.52 -1.555002856e+00 3.54 -1.520643211e+00 3.56 -1.486613976e+00 3.58 -1.452948926e+00 3.60 -1.419681209e+00 3.62 -1.386841759e+00 3.64 -1.354458120e+00 3.66 -1.322553648e+00 3.68 -1.291147008e+00 3.70 -1.260251924e+00 3.72 -1.229877105e+00 3.74 -1.200026301e+00 3.76 -1.170698451e+00 3.78 -1.141887891e+00 3.80 -1.113584593e+00 3.82 -1.085774430e+00 3.84 -1.058439452e+00 3.86 -1.031558158e+00 3.88 -1.005105770e+00 3.90 -9.790544988e-01 3.92 -9.533737811e-01 3.94 -9.280305684e-01 3.96 -9.029895195e-01 3.98 -8.782133197e-01 4.00 -8.536630094e-01 4.02 -8.292984261e-01 4.04 -8.050788046e-01 4.06 -7.809635925e-01 4.08 -7.569135388e-01 4.10 -7.328920892e-01 4.12 -7.088671788e-01 4.14 -6.848132316e-01 4.16 -6.607135404e-01 4.18 -6.365627117e-01 4.20 -6.123690524e-01 4.22 -5.881566243e-01 4.24 -5.639666617e-01 4.26 -5.398580464e-01 4.28 -5.159065866e-01 4.30 -4.922029555e-01 4.32 -4.688493070e-01 4.34 -4.459547692e-01 4.36 -4.236301846e-01 4.38 -4.019825820e-01 4.40 -3.811098939e-01 4.42 -3.610963840e-01 4.44 -3.420091259e-01 4.46 -3.238957187e-01 4.48 -3.067832733e-01 4.50 -2.906785787e-01 4.52 -2.755692733e-01 4.54 -2.614258020e-01 4.56 -2.482039211e-01 4.58 -2.358475334e-01 4.60 -2.242916478e-01 4.62 -2.134652511e-01 4.64 -2.032939889e-01 4.66 -1.937025957e-01 4.68 -1.846170095e-01 4.70 -1.759660649e-01 4.72 -1.676822437e-01 4.74 -1.597047052e-01 4.76 -1.519791263e-01 4.78 -1.444580312e-01 4.80 -1.371014882e-01 4.82 -1.298776904e-01 4.84 -1.227632030e-01 4.86 -1.157431946e-01 4.88 -1.088113763e-01 4.90 -1.019697160e-01 4.92 -9.522787058e-02 4.94 -8.860231338e-02 4.96 -8.211515445e-02 4.98 -7.579268616e-02 5.00 -6.966372070e-02 5.02 -6.375781890e-02 5.04 -5.810353155e-02 5.06 -5.272678077e-02 5.08 -4.764949744e-02 5.10 -4.288860340e-02 5.12 -3.845538833e-02 5.14 -3.435528842e-02 5.16 -3.058803466e-02 5.18 -2.714810746e-02 5.20 -2.402541665e-02 5.22 -2.120611964e-02 5.24 -1.867349620e-02 5.26 -1.640881099e-02 5.28 -1.439211225e-02 5.30 -1.260293037e-02 5.32 -1.102086243e-02 5.34 -9.626034927e-03 5.36 -8.399447934e-03 5.38 -7.323033022e-03 5.40 -6.380214246e-03 5.42 -5.555869073e-03 5.44 -4.836172686e-03 5.46 -4.208604513e-03 5.48 -3.661912824e-03 5.50 -3.186051217e-03 5.52 -2.772097732e-03 5.54 -2.412164666e-03 5.56 -2.099304984e-03 5.58 -1.827419452e-03 5.60 -1.591167303e-03 5.62 -1.385882200e-03 5.64 -1.207494491e-03 5.66 -1.052460240e-03 5.68 -9.176970833e-04 5.70 -8.005267579e-04 5.72 -6.986239374e-04 5.74 -6.099709381e-04 5.76 -5.328178036e-04 5.78 -4.656472587e-04 5.80 -4.071440349e-04 5.82 -3.561680907e-04 5.84 -3.117312797e-04 5.86 -2.729770608e-04 5.88 -2.391628753e-04 5.90 -2.096448617e-04 5.92 -1.838646068e-04 5.94 -1.613376731e-04 5.96 -1.416436672e-04 5.98 -1.244176481e-04 6.00 -1.093426950e-04