# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Nitol-M-S-Echeverria-M-J-Dang-K-et-al--V-Nb-Ta-Ti-Zr
# implementation = 2024--Nitol-M-S--V-Nb-Ta-Ti-Zr--LAMMPS--ipr1
# composition = Ti2Zr
# 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 2024-03-01

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  1.030731457e+02 
1.06  9.806388226e+01 
1.08  9.326364112e+01 
1.10  8.866427567e+01 
1.12  8.425794647e+01 
1.14  8.003710989e+01 
1.16  7.599450712e+01 
1.18  7.212315356e+01 
1.20  6.841632869e+01 
1.22  6.486756620e+01 
1.24  6.147064458e+01 
1.26  5.821957800e+01 
1.28  5.510860756e+01 
1.30  5.213219280e+01 
1.32  4.928500366e+01 
1.34  4.656191256e+01 
1.36  4.395798691e+01 
1.38  4.146848181e+01 
1.40  3.908883312e+01 
1.42  3.681465065e+01 
1.44  3.464171172e+01 
1.46  3.256595488e+01 
1.48  3.058347394e+01 
1.50  2.869051212e+01 
1.52  2.688345650e+01 
1.54  2.515883264e+01 
1.56  2.351329942e+01 
1.58  2.194364400e+01 
1.60  2.044677711e+01 
1.62  1.901972832e+01 
1.64  1.765964170e+01 
1.66  1.636377143e+01 
1.68  1.512947774e+01 
1.70  1.395422289e+01 
1.72  1.283556739e+01 
1.74  1.177116626e+01 
1.76  1.075876551e+01 
1.78  9.796198709e+00 
1.80  8.881383702e+00 
1.82  8.012319424e+00 
1.84  7.187082861e+00 
1.86  6.403826098e+00 
1.88  5.660773496e+00 
1.90  4.956218958e+00 
1.92  4.288523311e+00 
1.94  3.656111768e+00 
1.96  3.057471505e+00 
1.98  2.491149308e+00 
2.00  1.955749319e+00 
2.02  1.449930864e+00 
2.04  9.724063571e-01 
2.06  5.219392885e-01 
2.08  9.734228460e-02 
2.10 -3.025247636e-01 
2.12 -6.787564934e-01 
2.14 -1.032403808e+00 
2.16 -1.364475536e+00 
2.18 -1.675940047e+00 
2.20 -1.967726784e+00 
2.22 -2.240727763e+00 
2.24 -2.495798996e+00 
2.26 -2.733761877e+00 
2.28 -2.955404503e+00 
2.30 -3.161482958e+00 
2.32 -3.352722536e+00 
2.34 -3.529818933e+00 
2.36 -3.693439379e+00 
2.38 -3.844223742e+00 
2.40 -3.982785581e+00 
2.42 -4.109713160e+00 
2.44 -4.225570432e+00 
2.46 -4.330897978e+00 
2.48 -4.426213912e+00 
2.50 -4.512014756e+00 
2.52 -4.588776279e+00 
2.54 -4.656954305e+00 
2.56 -4.716985491e+00 
2.58 -4.769288074e+00 
2.60 -4.814262594e+00 
2.62 -4.852292585e+00 
2.64 -4.883745243e+00 
2.66 -4.908972068e+00 
2.68 -4.928309481e+00 
2.70 -4.942079418e+00 
2.72 -4.950589903e+00 
2.74 -4.954135598e+00 
2.76 -4.952998330e+00 
2.78 -4.947447605e+00 
2.80 -4.937741093e+00 
2.82 -4.924125101e+00 
2.84 -4.906835028e+00 
2.86 -4.886095799e+00 
2.88 -4.862122287e+00 
2.90 -4.835119711e+00 
2.92 -4.805284033e+00 
2.94 -4.772802322e+00 
2.96 -4.737853120e+00 
2.98 -4.700606783e+00 
3.00 -4.661225816e+00 
3.02 -4.619865189e+00 
3.04 -4.576672648e+00 
3.06 -4.531789007e+00 
3.08 -4.485348433e+00 
3.10 -4.437478718e+00 
3.12 -4.388301544e+00 
3.14 -4.337932732e+00 
3.16 -4.286482486e+00 
3.18 -4.234055627e+00 
3.20 -4.180751814e+00 
3.22 -4.126665764e+00 
3.24 -4.071887453e+00 
3.26 -4.016502320e+00 
3.28 -3.960591456e+00 
3.30 -3.904231787e+00 
3.32 -3.847496251e+00 
3.34 -3.790453969e+00 
3.36 -3.733170404e+00 
3.38 -3.675707523e+00 
3.40 -3.618123941e+00 
3.42 -3.560475071e+00 
3.44 -3.502813259e+00 
3.46 -3.445187919e+00 
3.48 -3.387645658e+00 
3.50 -3.330230402e+00 
3.52 -3.272983515e+00 
3.54 -3.215943906e+00 
3.56 -3.159148144e+00 
3.58 -3.102630557e+00 
3.60 -3.046423339e+00 
3.62 -2.990556637e+00 
3.64 -2.935058651e+00 
3.66 -2.879955719e+00 
3.68 -2.825272400e+00 
3.70 -2.771031560e+00 
3.72 -2.717254447e+00 
3.74 -2.663960766e+00 
3.76 -2.611168751e+00 
3.78 -2.558895235e+00 
3.80 -2.507155714e+00 
3.82 -2.455964412e+00 
3.84 -2.405334341e+00 
3.86 -2.355277360e+00 
3.88 -2.305804229e+00 
3.90 -2.256924663e+00 
3.92 -2.208647385e+00 
3.94 -2.160980172e+00 
3.96 -2.113929903e+00 
3.98 -2.067502606e+00 
4.00 -2.021703498e+00 
4.02 -1.976537028e+00 
4.04 -1.932006917e+00 
4.06 -1.888116193e+00 
4.08 -1.844867230e+00 
4.10 -1.802261781e+00 
4.12 -1.760301011e+00 
4.14 -1.718985530e+00 
4.16 -1.678315421e+00 
4.18 -1.638290271e+00 
4.20 -1.598909198e+00 
4.22 -1.560170877e+00 
4.24 -1.522073564e+00 
4.26 -1.484615123e+00 
4.28 -1.447793047e+00 
4.30 -1.411604481e+00 
4.32 -1.376046240e+00 
4.34 -1.341114833e+00 
4.36 -1.306806480e+00 
4.38 -1.273117132e+00 
4.40 -1.240042484e+00 
4.42 -1.207577996e+00 
4.44 -1.175718907e+00 
4.46 -1.144460250e+00 
4.48 -1.113796866e+00 
4.50 -1.083723418e+00 
4.52 -1.054234403e+00 
4.54 -1.025324166e+00 
4.56 -9.969869099e-01 
4.58 -9.692167083e-01 
4.60 -9.420075140e-01 
4.62 -9.153531701e-01 
4.64 -8.892474191e-01 
4.66 -8.636839122e-01 
4.68 -8.386562174e-01 
4.70 -8.141578273e-01 
4.72 -7.901821673e-01 
4.74 -7.667226017e-01 
4.76 -7.437724416e-01 
4.78 -7.213249502e-01 
4.80 -6.993733492e-01 
4.82 -6.779108243e-01 
4.84 -6.569305304e-01 
4.86 -6.364255965e-01 
4.88 -6.163891301e-01 
4.90 -5.968142220e-01 
4.92 -5.776939496e-01 
4.94 -5.590213809e-01 
4.96 -5.407895782e-01 
4.98 -5.229916007e-01 
5.00 -5.056205081e-01 
5.02 -4.886693627e-01 
5.04 -4.721312326e-01 
5.06 -4.559991933e-01 
5.08 -4.402663305e-01 
5.10 -4.249257416e-01 
5.12 -4.099141205e-01 
5.14 -3.914426573e-01 
5.16 -3.542810736e-01 
5.18 -2.971998144e-01 
5.20 -2.726387842e-01 
5.22 -2.616205106e-01 
5.24 -2.508519474e-01 
5.26 -2.403292498e-01 
5.28 -2.300486355e-01 
5.30 -2.200063874e-01 
5.32 -2.101988541e-01 
5.34 -2.006224513e-01 
5.36 -1.912736630e-01 
5.38 -1.821490416e-01 
5.40 -1.732452082e-01 
5.42 -1.645588527e-01 
5.44 -1.560867331e-01 
5.46 -1.478256746e-01 
5.48 -1.397725688e-01 
5.50 -1.319243715e-01 
5.52 -1.242781011e-01 
5.54 -1.168308362e-01 
5.56 -1.095797122e-01 
5.58 -1.025219189e-01 
5.60 -9.565469601e-02 
5.62 -8.897532986e-02 
5.64 -8.248114848e-02 
5.66 -7.616951706e-02 
5.68 -7.003783286e-02 
5.70 -6.408351988e-02 
5.72 -5.830402329e-02 
5.74 -5.269680369e-02 
5.76 -4.725933126e-02 
5.78 -4.198907988e-02 
5.80 -3.688352120e-02 
5.82 -3.194011891e-02 
5.84 -2.715632310e-02 
5.86 -2.252956495e-02 
5.88 -1.805725168e-02 
5.90 -1.373676205e-02 
5.92 -9.730450480e-03 
5.94 -8.221706299e-03 
5.96 -1.366845830e-02 
5.98 -2.055130929e-02 
6.00 -3.234676550e-22