# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse
# implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--LAMMPS--ipr1
# composition = AgPd2
# 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  nan             
0.90  nan             
0.92  6.014341778e+03 
0.94  5.556082862e+03 
0.96  5.132431236e+03 
0.98  4.741196956e+03 
1.00  4.382244919e+03 
1.02  4.053372263e+03 
1.04  3.750099404e+03 
1.06  3.469088596e+03 
1.08  3.207537817e+03 
1.10  2.963448578e+03 
1.12  2.734975814e+03 
1.14  2.519995821e+03 
1.16  2.316203998e+03 
1.18  2.122322208e+03 
1.20  1.937387995e+03 
1.22  1.761544523e+03 
1.24  1.595718571e+03 
1.26  1.438540715e+03 
1.28  1.290468052e+03 
1.30  1.151339114e+03 
1.32  1.020429997e+03 
1.34  8.973630722e+02 
1.36  7.814977254e+02 
1.38  6.727618955e+02 
1.40  5.710320071e+02 
1.42  4.751481096e+02 
1.44  3.848668784e+02 
1.46  3.002793415e+02 
1.48  2.206580564e+02 
1.50  1.453429236e+02 
1.52  7.664895174e+01 
1.54  5.176770225e+01 
1.56  4.502370948e+01 
1.58  4.117267343e+01 
1.60  3.782259954e+01 
1.62  3.471736694e+01 
1.64  3.184683667e+01 
1.66  2.919402928e+01 
1.68  2.673967720e+01 
1.70  2.446971537e+01 
1.72  2.236964058e+01 
1.74  2.042484684e+01 
1.76  1.862214586e+01 
1.78  1.695051431e+01 
1.80  1.539855445e+01 
1.82  1.395627278e+01 
1.84  1.261659235e+01 
1.86  1.137429784e+01 
1.88  1.022167622e+01 
1.90  9.144733387e+00 
1.92  8.145567334e+00 
1.94  7.216335347e+00 
1.96  6.351493726e+00 
1.98  5.545987059e+00 
2.00  4.795658620e+00 
2.02  4.097709054e+00 
2.04  3.449628059e+00 
2.06  2.846031213e+00 
2.08  2.278624808e+00 
2.10  1.754914796e+00 
2.12  1.270733467e+00 
2.14  8.233963070e-01 
2.16  4.104720828e-01 
2.18  2.998685154e-02 
2.20 -3.199393247e-01 
2.22 -6.402165141e-01 
2.24 -9.325015795e-01 
2.26 -1.198720889e+00 
2.28 -1.440855556e+00 
2.30 -1.661281779e+00 
2.32 -1.863000888e+00 
2.34 -2.044713311e+00 
2.36 -2.208083517e+00 
2.38 -2.354185955e+00 
2.40 -2.483881134e+00 
2.42 -2.597864361e+00 
2.44 -2.696946630e+00 
2.46 -2.781879673e+00 
2.48 -2.853357968e+00 
2.50 -2.912054264e+00 
2.52 -2.958623607e+00 
2.54 -2.993695125e+00 
2.56 -3.017881859e+00 
2.58 -3.031812302e+00 
2.60 -3.036191672e+00 
2.62 -3.031907766e+00 
2.64 -3.020186950e+00 
2.66 -3.002788422e+00 
2.68 -2.981241680e+00 
2.70 -2.952254181e+00 
2.72 -2.917195286e+00 
2.74 -2.876688219e+00 
2.76 -2.831374471e+00 
2.78 -2.781884302e+00 
2.80 -2.728724364e+00 
2.82 -2.672286397e+00 
2.84 -2.613126491e+00 
2.86 -2.551800273e+00 
2.88 -2.488868973e+00 
2.90 -2.424890231e+00 
2.92 -2.360402216e+00 
2.94 -2.295903651e+00 
2.96 -2.231834639e+00 
2.98 -2.168563111e+00 
3.00 -2.106379064e+00 
3.02 -2.045495592e+00 
3.04 -1.986054351e+00 
3.06 -1.928134006e+00 
3.08 -1.871762091e+00 
3.10 -1.816931873e+00 
3.12 -1.763625758e+00 
3.14 -1.711836567e+00 
3.16 -1.661506868e+00 
3.18 -1.612772547e+00 
3.20 -1.565945286e+00 
3.22 -1.521514947e+00 
3.24 -1.480190026e+00 
3.26 -1.442938244e+00 
3.28 -1.410215163e+00 
3.30 -1.376900735e+00 
3.32 -1.344326938e+00 
3.34 -1.312508787e+00 
3.36 -1.281473627e+00 
3.38 -1.251248184e+00 
3.40 -1.221856442e+00 
3.42 -1.193316554e+00 
3.44 -1.165637448e+00 
3.46 -1.138816140e+00 
3.48 -1.112836645e+00 
3.50 -1.087670869e+00 
3.52 -1.063281158e+00 
3.54 -1.039623684e+00 
3.56 -1.016651740e+00 
3.58 -9.943183526e-01 
3.60 -9.725779684e-01 
3.62 -9.513873284e-01 
3.64 -9.307057834e-01 
3.66 -9.104953115e-01 
3.68 -8.907204361e-01 
3.70 -8.713478659e-01 
3.72 -8.523455900e-01 
3.74 -8.336829125e-01 
3.76 -8.153309289e-01 
3.78 -7.972629632e-01 
3.80 -7.794549240e-01 
3.82 -7.618856201e-01 
3.84 -7.445370009e-01 
3.86 -7.273942541e-01 
3.88 -7.104458816e-01 
3.90 -6.936836385e-01 
3.92 -6.771023674e-01 
3.94 -6.606998059e-01 
3.96 -6.444762196e-01 
3.98 -6.284340906e-01 
4.00 -6.125776125e-01 
4.02 -5.969123088e-01 
4.04 -5.814444794e-01 
4.06 -5.661808099e-01 
4.08 -5.511278708e-01 
4.10 -5.362917931e-01 
4.12 -5.216779220e-01 
4.14 -5.072906056e-01 
4.16 -4.931330962e-01 
4.18 -4.792074745e-01 
4.20 -4.655145680e-01 
4.22 -4.519902775e-01 
4.24 -4.385741850e-01 
4.26 -4.252739045e-01 
4.28 -4.120964946e-01 
4.30 -3.990488370e-01 
4.32 -3.861377921e-01 
4.34 -3.733701902e-01 
4.36 -3.607526917e-01 
4.38 -3.482915406e-01 
4.40 -3.359922505e-01 
4.42 -3.238592749e-01 
4.44 -3.118958323e-01 
4.46 -3.001041457e-01 
4.48 -2.884864671e-01 
4.50 -2.770474181e-01 
4.52 -2.657983582e-01 
4.54 -2.547648039e-01 
4.56 -2.439982558e-01 
4.58 -2.335937181e-01 
4.60 -2.237155855e-01 
4.62 -2.146337344e-01 
4.64 -2.062657661e-01 
4.66 -1.974925267e-01 
4.68 -1.888417420e-01 
4.70 -1.803225144e-01 
4.72 -1.719438397e-01 
4.74 -1.637156989e-01 
4.76 -1.556488965e-01 
4.78 -1.477548346e-01 
4.80 -1.400452141e-01 
4.82 -1.325316669e-01 
4.84 -1.252253402e-01 
4.86 -1.181364558e-01 
4.88 -1.112742768e-01 
4.90 -1.046458744e-01 
4.92 -9.825577697e-02 
4.94 -9.210591644e-02 
4.96 -8.619540871e-02 
4.98 -8.052054300e-02 
5.00 -7.507483338e-02 
5.02 -6.984932768e-02 
5.04 -6.483334595e-02 
5.06 -6.001537579e-02 
5.08 -5.538424001e-02 
5.10 -5.092913417e-02 
5.12 -4.663988725e-02 
5.14 -4.251855613e-02 
5.16 -3.857391777e-02 
5.18 -3.482207596e-02 
5.20 -3.128719272e-02 
5.22 -2.800116179e-02 
5.24 -2.500178724e-02 
5.26 -2.232891949e-02 
5.28 -2.001784376e-02 
5.30 -1.808895913e-02 
5.32 -1.653243184e-02 
5.34 -1.528617582e-02 
5.36 -1.416428145e-02 
5.38 -1.306504459e-02 
5.40 -1.202762955e-02 
5.42 -1.105016917e-02 
5.44 -1.013045347e-02 
5.46 -9.266184438e-03 
5.48 -8.454993483e-03 
5.50 -7.694466697e-03 
5.52 -6.982177644e-03 
5.54 -6.315726436e-03 
5.56 -5.692782523e-03 
5.58 -5.111127472e-03 
5.60 -4.568693314e-03 
5.62 -4.063592076e-03 
5.64 -3.594132849e-03 
5.66 -3.158824493e-03 
5.68 -2.756363965e-03 
5.70 -2.385612252e-03 
5.72 -2.045561512e-03 
5.74 -1.735297767e-03 
5.76 -1.453963422e-03 
5.78 -1.200723275e-03 
5.80 -9.747364706e-04 
5.82 -7.751356814e-04 
5.84 -6.010136518e-04 
5.86 -4.514164342e-04 
5.88 -3.253421830e-04 
5.90 -2.217441123e-04 
5.92 -1.395362831e-04 
5.94 -7.760107091e-05 
5.96 -3.479735131e-05 
5.98 -9.968922798e-06 
6.00 -1.951366667e-06