# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Al2Co # 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 2025-07-01 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 4.245427474e+02 0.92 3.935291478e+02 0.94 3.649731004e+02 0.96 3.386541613e+02 0.98 3.133437902e+02 1.00 2.887929340e+02 1.02 2.653378470e+02 1.04 2.431831600e+02 1.06 2.224391475e+02 1.08 2.031480155e+02 1.10 1.853038527e+02 1.12 1.688676553e+02 1.14 1.537785611e+02 1.16 1.399621734e+02 1.18 1.273366475e+02 1.20 1.158170785e+02 1.22 1.053185982e+02 1.24 9.575850129e+01 1.26 8.705764677e+01 1.28 7.914132328e+01 1.30 7.193972463e+01 1.32 6.538814426e+01 1.34 5.942697295e+01 1.36 5.400156324e+01 1.38 4.906200526e+01 1.40 4.456285030e+01 1.42 4.046280631e+01 1.44 3.672442216e+01 1.46 3.331377466e+01 1.48 3.020016525e+01 1.50 2.735583192e+01 1.52 2.475568014e+01 1.54 2.237703314e+01 1.56 2.019940273e+01 1.58 1.820428027e+01 1.60 1.637494636e+01 1.62 1.469629862e+01 1.64 1.315469627e+01 1.66 1.173781946e+01 1.68 1.043454292e+01 1.70 9.234821834e+00 1.72 8.129589020e+00 1.74 7.110662327e+00 1.76 6.170660952e+00 1.78 5.302929895e+00 1.80 4.501471741e+00 1.82 3.760884772e+00 1.84 3.076306985e+00 1.86 2.443365295e+00 1.88 1.858129320e+00 1.90 1.317069440e+00 1.92 8.170185654e-01 1.94 3.551372761e-01 1.96 -7.111804318e-02 1.98 -4.640292033e-01 2.00 -8.256713307e-01 2.02 -1.157984833e+00 2.04 -1.462799571e+00 2.06 -1.741841055e+00 2.08 -1.996736132e+00 2.10 -2.229018382e+00 2.12 -2.440133216e+00 2.14 -2.631442708e+00 2.16 -2.804230176e+00 2.18 -2.959704498e+00 2.20 -3.099004232e+00 2.22 -3.223201490e+00 2.24 -3.333305608e+00 2.26 -3.430266631e+00 2.28 -3.514978601e+00 2.30 -3.588282671e+00 2.32 -3.650970054e+00 2.34 -3.703784812e+00 2.36 -3.747426494e+00 2.38 -3.782552634e+00 2.40 -3.809781107e+00 2.42 -3.829692370e+00 2.44 -3.842831567e+00 2.46 -3.849710535e+00 2.48 -3.850810078e+00 2.50 -3.846581761e+00 2.52 -3.837445925e+00 2.54 -3.823800312e+00 2.56 -3.806016551e+00 2.58 -3.784442859e+00 2.60 -3.759405381e+00 2.62 -3.731209468e+00 2.64 -3.700140881e+00 2.66 -3.666466924e+00 2.68 -3.630437523e+00 2.70 -3.592286237e+00 2.72 -3.552231221e+00 2.74 -3.510476124e+00 2.76 -3.467210951e+00 2.78 -3.422612867e+00 2.80 -3.376846956e+00 2.82 -3.330066947e+00 2.84 -3.282415883e+00 2.86 -3.234026773e+00 2.88 -3.185023187e+00 2.90 -3.135519829e+00 2.92 -3.085623080e+00 2.94 -3.035431497e+00 2.96 -2.985036298e+00 2.98 -2.934521810e+00 3.00 -2.883965897e+00 3.02 -2.833440359e+00 3.04 -2.783011324e+00 3.06 -2.732739580e+00 3.08 -2.682680870e+00 3.10 -2.632886341e+00 3.12 -2.583402730e+00 3.14 -2.534272676e+00 3.16 -2.485534981e+00 3.18 -2.437224866e+00 3.20 -2.389374197e+00 3.22 -2.342011712e+00 3.24 -2.295163224e+00 3.26 -2.248851818e+00 3.28 -2.203098034e+00 3.30 -2.157920043e+00 3.32 -2.113333802e+00 3.34 -2.069353213e+00 3.36 -2.025990263e+00 3.38 -1.983255162e+00 3.40 -1.941156464e+00 3.42 -1.899701192e+00 3.44 -1.858894944e+00 3.46 -1.818742003e+00 3.48 -1.779245430e+00 3.50 -1.740407162e+00 3.52 -1.702228091e+00 3.54 -1.664708151e+00 3.56 -1.627846395e+00 3.58 -1.591641058e+00 3.60 -1.556089633e+00 3.62 -1.521188927e+00 3.64 -1.486935122e+00 3.66 -1.453323830e+00 3.68 -1.420350143e+00 3.70 -1.388008682e+00 3.72 -1.356293637e+00 3.74 -1.325198817e+00 3.76 -1.294717682e+00 3.78 -1.264843380e+00 3.80 -1.235568786e+00 3.82 -1.206886525e+00 3.84 -1.178789010e+00 3.86 -1.151268465e+00 3.88 -1.124316948e+00 3.90 -1.097926379e+00 3.92 -1.072088563e+00 3.94 -1.046795203e+00 3.96 -1.022037926e+00 3.98 -9.978082985e-01 4.00 -9.740978407e-01 4.02 -9.508980436e-01 4.04 -9.282003820e-01 4.06 -9.059963270e-01 4.08 -8.842773582e-01 4.10 -8.630349743e-01 4.12 -8.422607026e-01 4.14 -8.219461086e-01 4.16 -8.020828040e-01 4.18 -7.826624543e-01 4.20 -7.636767857e-01 4.22 -7.451175915e-01 4.24 -7.269767373e-01 4.26 -7.089544546e-01 4.28 -6.850706952e-01 4.30 -6.378407059e-01 4.32 -5.607413583e-01 4.34 -5.295191931e-01 4.36 -5.158104278e-01 4.38 -5.024309483e-01 4.40 -4.893739193e-01 4.42 -4.766325957e-01 4.44 -4.642003241e-01 4.46 -4.520705452e-01 4.48 -4.402367944e-01 4.50 -4.286927033e-01 4.52 -4.174320007e-01 4.54 -4.064485132e-01 4.56 -3.957361658e-01 4.58 -3.852889824e-01 4.60 -3.751010860e-01 4.62 -3.651666990e-01 4.64 -3.554801427e-01 4.66 -3.460358378e-01 4.68 -3.368283038e-01 4.70 -3.278521584e-01 4.72 -3.191021179e-01 4.74 -3.105729956e-01 4.76 -3.022597020e-01 4.78 -2.941572436e-01 4.80 -2.862607227e-01 4.82 -2.785653359e-01 4.84 -2.710663738e-01 4.86 -2.637592195e-01 4.88 -2.566393482e-01 4.90 -2.497023260e-01 4.92 -2.425648818e-01 4.94 -2.304009901e-01 4.96 -1.991570641e-01 4.98 -1.204983343e-01 5.00 -1.719004068e-22 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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