# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb2Ti # 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 2026-06-16 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 3.710172206e+02 1.12 3.437768425e+02 1.14 3.186463584e+02 1.16 2.954379823e+02 1.18 2.739836746e+02 1.20 2.541353221e+02 1.22 2.357622833e+02 1.24 2.187489537e+02 1.26 2.029853413e+02 1.28 1.883634887e+02 1.30 1.747828946e+02 1.32 1.621532631e+02 1.34 1.503945734e+02 1.36 1.394385672e+02 1.38 1.292288939e+02 1.40 1.197161091e+02 1.42 1.108505382e+02 1.44 1.025814787e+02 1.46 9.486284295e+01 1.48 8.765626550e+01 1.50 8.092878671e+01 1.52 7.464876189e+01 1.54 6.878446381e+01 1.56 6.332529612e+01 1.58 5.824798489e+01 1.60 5.352260025e+01 1.62 4.912391442e+01 1.64 4.502984172e+01 1.66 4.122008626e+01 1.68 3.767510208e+01 1.70 3.437614095e+01 1.72 3.130603705e+01 1.74 2.844950460e+01 1.76 2.579281273e+01 1.78 2.332336097e+01 1.80 2.102937531e+01 1.82 1.889969112e+01 1.84 1.692368600e+01 1.86 1.509133188e+01 1.88 1.339329238e+01 1.90 1.182102603e+01 1.92 1.036680292e+01 1.94 9.023503569e+00 1.96 7.784271290e+00 1.98 6.642223673e+00 2.00 5.590331789e+00 2.02 4.621459112e+00 2.04 3.728531684e+00 2.06 2.904820383e+00 2.08 2.144258625e+00 2.10 1.441623045e+00 2.12 7.924648357e-01 2.14 1.928643236e-01 2.16 -3.607745203e-01 2.18 -8.717342552e-01 2.20 -1.342835637e+00 2.22 -1.776342140e+00 2.24 -2.174052232e+00 2.26 -2.537522376e+00 2.28 -2.868291305e+00 2.30 -3.168025882e+00 2.32 -3.438595050e+00 2.34 -3.682084349e+00 2.36 -3.900774212e+00 2.38 -4.097099383e+00 2.40 -4.273591435e+00 2.42 -4.432795369e+00 2.44 -4.577131071e+00 2.46 -4.708880126e+00 2.48 -4.829856555e+00 2.50 -4.941092884e+00 2.52 -5.043217432e+00 2.54 -5.136587063e+00 2.56 -5.221420549e+00 2.58 -5.297898277e+00 2.60 -5.366202334e+00 2.62 -5.425848654e+00 2.64 -5.476676309e+00 2.66 -5.518911965e+00 2.68 -5.552834454e+00 2.70 -5.578721213e+00 2.72 -5.596793785e+00 2.74 -5.607252967e+00 2.76 -5.610305153e+00 2.78 -5.606170602e+00 2.80 -5.595223200e+00 2.82 -5.577840602e+00 2.84 -5.554194694e+00 2.86 -5.524489668e+00 2.88 -5.488951914e+00 2.90 -5.447816016e+00 2.92 -5.401310542e+00 2.94 -5.349643983e+00 2.96 -5.292991383e+00 2.98 -5.231482393e+00 3.00 -5.165191748e+00 3.02 -5.094134028e+00 3.04 -5.018264712e+00 3.06 -4.937490530e+00 3.08 -4.851698899e+00 3.10 -4.760794004e+00 3.12 -4.664760820e+00 3.14 -4.563730658e+00 3.16 -4.458037820e+00 3.18 -4.348239918e+00 3.20 -4.235086549e+00 3.22 -4.119439124e+00 3.24 -4.002174212e+00 3.26 -3.884107224e+00 3.28 -3.765961646e+00 3.30 -3.648378546e+00 3.32 -3.531945666e+00 3.34 -3.417221554e+00 3.36 -3.304742730e+00 3.38 -3.195010648e+00 3.40 -3.088467204e+00 3.42 -2.985467616e+00 3.44 -2.886256312e+00 3.46 -2.790954471e+00 3.48 -2.699556943e+00 3.50 -2.611941206e+00 3.52 -2.527882920e+00 3.54 -2.447077504e+00 3.56 -2.369163615e+00 3.58 -2.293747604e+00 3.60 -2.220427861e+00 3.62 -2.148818572e+00 3.64 -2.078573473e+00 3.66 -2.009408109e+00 3.68 -1.941119663e+00 3.70 -1.873600408e+00 3.72 -1.806842135e+00 3.74 -1.740927804e+00 3.76 -1.676012008e+00 3.78 -1.612293888e+00 3.80 -1.549989631e+00 3.82 -1.489310079e+00 3.84 -1.430447146e+00 3.86 -1.373567866e+00 3.88 -1.318813398e+00 3.90 -1.266299509e+00 3.92 -1.216116578e+00 3.94 -1.168328689e+00 3.96 -1.122972190e+00 3.98 -1.080054269e+00 4.00 -1.039552769e+00 4.02 -1.001417718e+00 4.04 -9.655720048e-01 4.06 -9.319220166e-01 4.08 -9.003523454e-01 4.10 -8.707375147e-01 4.12 -8.429449164e-01 4.14 -8.168391390e-01 4.16 -7.922856294e-01 4.18 -7.691536115e-01 4.20 -7.473183788e-01 4.22 -7.266627325e-01 4.24 -7.070745392e-01 4.26 -6.884555033e-01 4.28 -6.707177680e-01 4.30 -6.537808897e-01 4.32 -6.375721512e-01 4.34 -6.220263981e-01 4.36 -6.070856208e-01 4.38 -5.926984396e-01 4.40 -5.788195116e-01 4.42 -5.654088845e-01 4.44 -5.524314023e-01 4.46 -5.398561572e-01 4.48 -5.276559489e-01 4.50 -5.158068096e-01 4.52 -5.042875951e-01 4.54 -4.930796066e-01 4.56 -4.821662542e-01 4.58 -4.715327767e-01 4.60 -4.611659958e-01 4.62 -4.510540923e-01 4.64 -4.411864217e-01 4.66 -4.315533586e-01 4.68 -4.221461544e-01 4.70 -4.129568185e-01 4.72 -4.039773987e-01 4.74 -3.952024910e-01 4.76 -3.866250734e-01 4.78 -3.782393188e-01 4.80 -3.700397788e-01 4.82 -3.620213355e-01 4.84 -3.541791616e-01 4.86 -3.465086878e-01 4.88 -3.390055724e-01 4.90 -3.316656754e-01 4.92 -3.244850377e-01 4.94 -3.174598621e-01 4.96 -3.105864962e-01 4.98 -3.038614184e-01 5.00 -2.972812258e-01 5.02 -2.908426223e-01 5.04 -2.845424085e-01 5.06 -2.783774733e-01 5.08 -2.723447851e-01 5.10 -2.664413835e-01 5.12 -2.606643727e-01 5.14 -2.550109132e-01 5.16 -2.494782151e-01 5.18 -2.440635299e-01 5.20 -2.387641434e-01 5.22 -2.335773665e-01 5.24 -2.285005268e-01 5.26 -2.235309580e-01 5.28 -2.186659893e-01 5.30 -2.139029328e-01 5.32 -2.092390695e-01 5.34 -2.046716334e-01 5.36 -2.001977942e-01 5.38 -1.958146387e-01 5.40 -1.915191451e-01 5.42 -1.873081541e-01 5.44 -1.831783424e-01 5.46 -1.791261886e-01 5.48 -1.751479359e-01 5.50 -1.712395510e-01 5.52 -1.673966750e-01 5.54 -1.636145724e-01 5.56 -1.598880765e-01 5.58 -1.562115270e-01 5.60 -1.525787049e-01 5.62 -1.489827686e-01 5.64 -1.454161882e-01 5.66 -1.418706794e-01 5.68 -1.383371510e-01 5.70 -1.348056664e-01 5.72 -1.312654221e-01 5.74 -1.277047620e-01 5.76 -1.241112417e-01 5.78 -1.204717508e-01 5.80 -1.167727142e-01 5.82 -1.130003967e-01 5.84 -1.091413238e-01 5.86 -1.051828447e-01 5.88 -1.011138275e-01 5.90 -9.692476014e-02 5.92 -9.260906504e-02 5.94 -8.816574577e-02 5.96 -8.359921765e-02 5.98 -7.892020830e-02 6.00 -7.414644221e-02