# 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 = NiW2 # 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 3.753168087e+02 1.16 3.431999612e+02 1.18 3.139105754e+02 1.20 2.871912898e+02 1.22 2.628018468e+02 1.24 2.405207341e+02 1.26 2.201475883e+02 1.28 2.015042490e+02 1.30 1.844320053e+02 1.32 1.687861552e+02 1.34 1.544319766e+02 1.36 1.412444888e+02 1.38 1.291106966e+02 1.40 1.179317238e+02 1.42 1.076232269e+02 1.44 9.811377004e+01 1.46 8.934187174e+01 1.48 8.125293668e+01 1.50 7.379708718e+01 1.52 6.692825001e+01 1.54 6.060406285e+01 1.56 5.478577604e+01 1.58 4.943772361e+01 1.60 4.452660227e+01 1.62 4.002094397e+01 1.64 3.589084160e+01 1.66 3.210775733e+01 1.68 2.864432563e+01 1.70 2.547436191e+01 1.72 2.257434259e+01 1.74 1.992062310e+01 1.76 1.749045986e+01 1.78 1.526286908e+01 1.80 1.321896696e+01 1.82 1.134224699e+01 1.84 9.618704989e+00 1.86 8.036697357e+00 1.88 6.586579365e+00 1.90 5.260211006e+00 1.92 4.050435597e+00 1.94 2.950624510e+00 1.96 1.954344735e+00 1.98 1.055160353e+00 2.00 2.465383366e-01 2.02 -4.781873360e-01 2.04 -1.125826173e+00 2.06 -1.703321847e+00 2.08 -2.217706916e+00 2.10 -2.676000199e+00 2.12 -3.085037959e+00 2.14 -3.451254814e+00 2.16 -3.780455731e+00 2.18 -4.077632810e+00 2.20 -4.346871816e+00 2.22 -4.591367292e+00 2.24 -4.813534364e+00 2.26 -5.014932574e+00 2.28 -5.197037067e+00 2.30 -5.361432691e+00 2.32 -5.509486237e+00 2.34 -5.642455118e+00 2.36 -5.761527088e+00 2.38 -5.867787444e+00 2.40 -5.961614214e+00 2.42 -6.042807490e+00 2.44 -6.111339159e+00 2.46 -6.167314102e+00 2.48 -6.210917863e+00 2.50 -6.242382541e+00 2.52 -6.261961954e+00 2.54 -6.269912153e+00 2.56 -6.266476705e+00 2.58 -6.251877521e+00 2.60 -6.226312073e+00 2.62 -6.189957185e+00 2.64 -6.142978661e+00 2.66 -6.085545038e+00 2.68 -6.017842902e+00 2.70 -5.940091739e+00 2.72 -5.852551039e+00 2.74 -5.755527161e+00 2.76 -5.649373703e+00 2.78 -5.534487425e+00 2.80 -5.411305761e+00 2.82 -5.280310277e+00 2.84 -5.142038658e+00 2.86 -4.997083200e+00 2.88 -4.846011487e+00 2.90 -4.689500928e+00 2.92 -4.528409341e+00 2.94 -4.363774060e+00 2.96 -4.196794812e+00 2.98 -4.028797923e+00 3.00 -3.861182298e+00 3.02 -3.695351124e+00 3.04 -3.532636485e+00 3.06 -3.374226042e+00 3.08 -3.221101063e+00 3.10 -3.073993204e+00 3.12 -2.933364183e+00 3.14 -2.799408589e+00 3.16 -2.672076745e+00 3.18 -2.551112285e+00 3.20 -2.436098334e+00 3.22 -2.326506578e+00 3.24 -2.221744769e+00 3.26 -2.121199698e+00 3.28 -2.024274114e+00 3.30 -1.930417089e+00 3.32 -1.839147997e+00 3.34 -1.750074484e+00 3.36 -1.662904759e+00 3.38 -1.577454328e+00 3.40 -1.493647139e+00 3.42 -1.411510982e+00 3.44 -1.331167155e+00 3.46 -1.252814738e+00 3.48 -1.176710313e+00 3.50 -1.103144528e+00 3.52 -1.032417384e+00 3.54 -9.648143297e-01 3.56 -9.005852261e-01 3.58 -8.399278150e-01 3.60 -7.829767525e-01 3.62 -7.297985141e-01 3.64 -6.803918028e-01 3.66 -6.346925461e-01 3.68 -5.925822456e-01 3.70 -5.538983460e-01 3.72 -5.184453797e-01 3.74 -4.860058664e-01 3.76 -4.563502250e-01 3.78 -4.292452434e-01 3.80 -4.044609018e-01 3.82 -3.817755391e-01 3.84 -3.609794880e-01 3.86 -3.418773799e-01 3.88 -3.242893584e-01 3.90 -3.080514365e-01 3.92 -2.930152194e-01 3.94 -2.790471808e-01 3.96 -2.660276490e-01 3.98 -2.538496265e-01 4.00 -2.424175364e-01 4.02 -2.316459652e-01 4.04 -2.214584479e-01 4.06 -2.117863352e-01 4.08 -2.025677620e-01 4.10 -1.937466082e-01 4.12 -1.852717780e-01 4.14 -1.770970471e-01 4.16 -1.691800091e-01 4.18 -1.614817674e-01 4.20 -1.539667943e-01 4.22 -1.466029436e-01 4.24 -1.393616253e-01 4.26 -1.322181469e-01 4.28 -1.251522093e-01 4.30 -1.181485300e-01 4.32 -1.111975451e-01 4.34 -1.042961146e-01 4.36 -9.744813383e-02 4.38 -9.066492909e-02 4.40 -8.396531121e-02 4.42 -7.737516900e-02 4.44 -7.092652160e-02 4.46 -6.465601025e-02 4.48 -5.860289078e-02 4.50 -5.280667485e-02 4.52 -4.730464072e-02 4.54 -4.212947387e-02 4.56 -3.730728830e-02 4.58 -3.285623481e-02 4.60 -2.878580521e-02 4.62 -2.509684302e-02 4.64 -2.178187159e-02 4.66 -1.882656095e-02 4.68 -1.621176911e-02 4.70 -1.391417523e-02 4.72 -1.190780464e-02 4.74 -1.016540813e-02 4.76 -8.659609770e-03 4.78 -7.363799008e-03 4.80 -6.252773906e-03 4.82 -5.303162358e-03 4.84 -4.493657846e-03 4.86 -3.805110071e-03 4.88 -3.220507806e-03 4.90 -2.724887100e-03 4.92 -2.305191866e-03 4.94 -1.950107886e-03 4.96 -1.649885843e-03 4.98 -1.396164341e-03 5.00 -1.181800224e-03 5.02 -1.000710633e-03 5.04 -8.477292093e-04 5.06 -7.184773237e-04 5.08 -6.092502878e-04 5.10 -5.169178249e-04 5.12 -4.388377363e-04 5.14 -3.727815142e-04 5.16 -3.168705914e-04 5.18 -2.695219476e-04 5.20 -2.294018626e-04 5.22 -1.953867088e-04 5.24 -1.665297887e-04 5.26 -1.420333371e-04 5.28 -1.212249161e-04 5.30 -1.035375379e-04 5.32 -8.849293865e-05 5.34 -7.568751385e-05 5.36 -6.478049555e-05 5.38 -5.548401665e-05 5.40 -4.755476176e-05 5.42 -4.078695112e-05 5.44 -3.500644385e-05 5.46 -3.006578092e-05 5.48 -2.584001668e-05 5.50 -2.222321243e-05 5.52 -1.912548545e-05 5.54 -1.647052445e-05 5.56 -1.419349673e-05 5.58 -1.223928414e-05 5.60 -1.056099558e-05 5.62 -9.118711771e-06 5.64 -7.878425554e-06 5.66 -6.811146520e-06 5.68 -5.892144168e-06 5.70 -5.100307650e-06 5.72 -4.417603832e-06 5.74 -3.828618265e-06 5.76 -3.320166104e-06 5.78 -2.880962132e-06 5.80 -2.501340693e-06 5.82 -2.173017843e-06 5.84 -1.888889217e-06 5.86 -1.642858127e-06 5.88 -1.429689286e-06 5.90 -1.244884236e-06 5.92 -1.084575214e-06 5.94 -9.454346382e-07 5.96 -8.245978940e-07 5.98 -7.195974011e-07 6.00 -6.283062886e-07