# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = Cu2Ni # 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 2026-08-31 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 3.582098206e+02 0.92 3.321707319e+02 0.94 3.079483915e+02 0.96 2.854175531e+02 0.98 2.644616011e+02 1.00 2.449719546e+02 1.02 2.268475145e+02 1.04 2.099941466e+02 1.06 1.943242007e+02 1.08 1.797560634e+02 1.10 1.662137404e+02 1.12 1.536264681e+02 1.14 1.419283526e+02 1.16 1.310580325e+02 1.18 1.209583658e+02 1.20 1.115761380e+02 1.22 1.028617912e+02 1.24 9.476917071e+01 1.26 8.725529069e+01 1.28 8.028011491e+01 1.30 7.380635350e+01 1.32 6.779927349e+01 1.34 6.222652251e+01 1.36 5.705796506e+01 1.38 5.226552979e+01 1.40 4.782306764e+01 1.42 4.370621983e+01 1.44 3.989229493e+01 1.46 3.636015452e+01 1.48 3.309010686e+01 1.50 3.006380776e+01 1.52 2.726416853e+01 1.54 2.467527015e+01 1.56 2.228228341e+01 1.58 2.007139464e+01 1.60 1.802973645e+01 1.62 1.614532331e+01 1.64 1.440699163e+01 1.66 1.280434376e+01 1.68 1.132769603e+01 1.70 9.968030268e+00 1.72 8.716948612e+00 1.74 7.566631474e+00 1.76 6.509798316e+00 1.78 5.539671107e+00 1.80 4.649940314e+00 1.82 3.834733129e+00 1.84 3.088583902e+00 1.86 2.406406582e+00 1.88 1.783468965e+00 1.90 1.215368753e+00 1.92 6.980111871e-01 1.94 2.275881819e-01 1.96 -1.994410948e-01 1.98 -5.863683779e-01 2.00 -9.362532282e-01 2.02 -1.251938796e+00 2.04 -1.536066566e+00 2.06 -1.791090088e+00 2.08 -2.019287782e+00 2.10 -2.222774919e+00 2.12 -2.403514763e+00 2.14 -2.563328981e+00 2.16 -2.703907378e+00 2.18 -2.826816917e+00 2.20 -2.933510227e+00 2.22 -3.025333471e+00 2.24 -3.103533705e+00 2.26 -3.169265757e+00 2.28 -3.223598634e+00 2.30 -3.267521496e+00 2.32 -3.301949244e+00 2.34 -3.327727718e+00 2.36 -3.345638547e+00 2.38 -3.356403686e+00 2.40 -3.360689628e+00 2.42 -3.359111346e+00 2.44 -3.352235961e+00 2.46 -3.340634512e+00 2.48 -3.327673350e+00 2.50 -3.308349394e+00 2.52 -3.285756230e+00 2.54 -3.260098596e+00 2.56 -3.231718060e+00 2.58 -3.200928082e+00 2.60 -3.168016095e+00 2.62 -3.133245437e+00 2.64 -3.096857155e+00 2.66 -3.059071684e+00 2.68 -3.020090396e+00 2.70 -2.980097055e+00 2.72 -2.939259161e+00 2.74 -2.897729202e+00 2.76 -2.855645813e+00 2.78 -2.813134857e+00 2.80 -2.770310429e+00 2.82 -2.727275780e+00 2.84 -2.684124183e+00 2.86 -2.640939735e+00 2.88 -2.597798092e+00 2.90 -2.554767162e+00 2.92 -2.511907739e+00 2.94 -2.469274094e+00 2.96 -2.426914518e+00 2.98 -2.384871830e+00 3.00 -2.343183841e+00 3.02 -2.302041566e+00 3.04 -2.263298352e+00 3.06 -2.225635263e+00 3.08 -2.186593626e+00 3.10 -2.148003981e+00 3.12 -2.109888865e+00 3.14 -2.072260546e+00 3.16 -2.035129029e+00 3.18 -1.998502286e+00 3.20 -1.962386457e+00 3.22 -1.926786040e+00 3.24 -1.891704062e+00 3.26 -1.857142234e+00 3.28 -1.823101099e+00 3.30 -1.789580159e+00 3.32 -1.756577997e+00 3.34 -1.724092383e+00 3.36 -1.692120376e+00 3.38 -1.660658413e+00 3.40 -1.629702387e+00 3.42 -1.599247727e+00 3.44 -1.569289458e+00 3.46 -1.539822268e+00 3.48 -1.510840554e+00 3.50 -1.482338480e+00 3.52 -1.454310013e+00 3.54 -1.426748965e+00 3.56 -1.399649030e+00 3.58 -1.373003811e+00 3.60 -1.346806851e+00 3.62 -1.321051655e+00 3.64 -1.295731714e+00 3.66 -1.270840521e+00 3.68 -1.246371588e+00 3.70 -1.222318465e+00 3.72 -1.198674743e+00 3.74 -1.175434074e+00 3.76 -1.152590175e+00 3.78 -1.130136835e+00 3.80 -1.108067924e+00 3.82 -1.086377397e+00 3.84 -1.065059296e+00 3.86 -1.044107756e+00 3.88 -1.023517008e+00 3.90 -1.003281375e+00 3.92 -9.833952795e-01 3.94 -9.638532405e-01 3.96 -9.446498739e-01 3.98 -9.257798920e-01 4.00 -9.072381032e-01 4.02 -8.890194101e-01 4.04 -8.711188085e-01 4.06 -8.535313858e-01 4.08 -8.362523186e-01 4.10 -8.192768717e-01 4.12 -8.026003949e-01 4.14 -7.862183217e-01 4.16 -7.701261668e-01 4.18 -7.543195234e-01 4.20 -7.387940616e-01 4.22 -7.235455256e-01 4.24 -7.085697316e-01 4.26 -6.935738976e-01 4.28 -6.727042500e-01 4.30 -6.293264119e-01 4.32 -5.558032683e-01 4.34 -5.258587475e-01 4.36 -5.151922843e-01 4.38 -5.047210938e-01 4.40 -4.944418979e-01 4.42 -4.843514805e-01 4.44 -4.744466865e-01 4.46 -4.647244200e-01 4.48 -4.551816423e-01 4.50 -4.458153704e-01 4.52 -4.366226754e-01 4.54 -4.276006813e-01 4.56 -4.187465626e-01 4.58 -4.100575438e-01 4.60 -4.015308973e-01 4.62 -3.931639422e-01 4.64 -3.849540433e-01 4.66 -3.768986092e-01 4.68 -3.689950916e-01 4.70 -3.612409837e-01 4.72 -3.536338196e-01 4.74 -3.461711726e-01 4.76 -3.388506545e-01 4.78 -3.316699144e-01 4.80 -3.246266380e-01 4.82 -3.177185466e-01 4.84 -3.109433959e-01 4.86 -3.042989758e-01 4.88 -2.977831089e-01 4.90 -2.913936502e-01 4.92 -2.846098329e-01 4.94 -2.708274607e-01 4.96 -2.316757421e-01 4.98 -1.356902427e-01 5.00 -1.777253032e-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