# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti # implementation = 2025--Sharifi-H--Ni-Ti--LAMMPS--ipr1 # composition = NiTi2 # 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 2.556997925e+02 0.92 2.663458343e+02 0.94 2.745710455e+02 0.96 2.801903656e+02 0.98 2.831397398e+02 1.00 2.835043685e+02 1.02 2.814680466e+02 1.04 2.772749948e+02 1.06 2.712016040e+02 1.08 2.635358902e+02 1.10 2.545629248e+02 1.12 2.445548626e+02 1.14 2.337644242e+02 1.16 2.224210377e+02 1.18 2.107289321e+02 1.20 1.988666506e+02 1.22 1.869875776e+02 1.24 1.752211485e+02 1.26 1.636745103e+02 1.28 1.524344937e+02 1.30 1.415697901e+02 1.32 1.311328199e+02 1.34 1.211617110e+02 1.36 1.116822456e+02 1.38 1.027096817e+02 1.40 9.425042155e+01 1.42 8.630352460e+01 1.44 7.886206091e+01 1.46 7.191430775e+01 1.48 6.544479773e+01 1.50 5.943522703e+01 1.52 5.386523452e+01 1.54 4.871306353e+01 1.56 4.395611699e+01 1.58 3.957141792e+01 1.60 3.553598630e+01 1.62 3.182714243e+01 1.64 2.842274684e+01 1.66 2.530138506e+01 1.68 2.244250591e+01 1.70 1.982651999e+01 1.72 1.743486494e+01 1.74 1.525004344e+01 1.76 1.325563841e+01 1.78 1.143630944e+01 1.80 9.777773812e+00 1.82 8.266780547e+00 1.84 6.891073471e+00 1.86 5.639346989e+00 1.88 4.501197666e+00 1.90 3.467068842e+00 1.92 2.528184727e+00 1.94 1.676489139e+00 1.96 9.045904835e-01 1.98 2.057112510e-01 2.00 -4.263580034e-01 2.02 -9.973033695e-01 2.04 -1.512335186e+00 2.06 -1.976227117e+00 2.08 -2.393348462e+00 2.10 -2.767684407e+00 2.12 -3.102878846e+00 2.14 -3.402272544e+00 2.16 -3.668930401e+00 2.18 -3.905665883e+00 2.20 -4.115062557e+00 2.22 -4.299492908e+00 2.24 -4.461134912e+00 2.26 -4.601987025e+00 2.28 -4.723881995e+00 2.30 -4.828499783e+00 2.32 -4.917379715e+00 2.34 -4.991931798e+00 2.36 -5.053447228e+00 2.38 -5.103108098e+00 2.40 -5.141996325e+00 2.42 -5.171100754e+00 2.44 -5.191242958e+00 2.46 -5.203047745e+00 2.48 -5.207134025e+00 2.50 -5.204085943e+00 2.52 -5.194205576e+00 2.54 -5.178121002e+00 2.56 -5.156336539e+00 2.58 -5.132158460e+00 2.60 -5.129800288e+00 2.62 -5.112033863e+00 2.64 -5.070608184e+00 2.66 -5.025708472e+00 2.68 -4.977680855e+00 2.70 -4.926846256e+00 2.72 -4.873502162e+00 2.74 -4.817924267e+00 2.76 -4.760368003e+00 2.78 -4.701069959e+00 2.80 -4.640249195e+00 2.82 -4.578108465e+00 2.84 -4.514835339e+00 2.86 -4.450603249e+00 2.88 -4.385572459e+00 2.90 -4.319890958e+00 2.92 -4.253695307e+00 2.94 -4.187111418e+00 2.96 -4.120255290e+00 2.98 -4.053233701e+00 3.00 -3.986144849e+00 3.02 -3.919078960e+00 3.04 -3.852118854e+00 3.06 -3.785340470e+00 3.08 -3.718813361e+00 3.10 -3.652601148e+00 3.12 -3.586761951e+00 3.14 -3.521348783e+00 3.16 -3.456409923e+00 3.18 -3.391989255e+00 3.20 -3.328126591e+00 3.22 -3.264857965e+00 3.24 -3.202215903e+00 3.26 -3.140229675e+00 3.28 -3.078925525e+00 3.30 -3.018326886e+00 3.32 -2.958454577e+00 3.34 -2.899326991e+00 3.36 -2.840960277e+00 3.38 -2.783368522e+00 3.40 -2.726563935e+00 3.42 -2.670557037e+00 3.44 -2.615356862e+00 3.46 -2.560971173e+00 3.48 -2.507406684e+00 3.50 -2.454669289e+00 3.52 -2.402764306e+00 3.54 -2.351696709e+00 3.56 -2.301471369e+00 3.58 -2.252093269e+00 3.60 -2.203567719e+00 3.62 -2.155900531e+00 3.64 -2.109098174e+00 3.66 -2.063167879e+00 3.68 -2.018117693e+00 3.70 -1.973956477e+00 3.72 -1.930693817e+00 3.74 -1.888339868e+00 3.76 -1.846905098e+00 3.78 -1.806399952e+00 3.80 -1.766834431e+00 3.82 -1.728217616e+00 3.84 -1.690557141e+00 3.86 -1.653858685e+00 3.88 -1.618125480e+00 3.90 -1.583357918e+00 3.92 -1.549553271e+00 3.94 -1.516705563e+00 3.96 -1.484805612e+00 3.98 -1.453841243e+00 4.00 -1.423797657e+00 4.02 -1.394657922e+00 4.04 -1.366403551e+00 4.06 -1.339015107e+00 4.08 -1.312472795e+00 4.10 -1.286756991e+00 4.12 -1.261848658e+00 4.14 -1.237729652e+00 4.16 -1.214382872e+00 4.18 -1.191792275e+00 4.20 -1.169942761e+00 4.22 -1.148819951e+00 4.24 -1.128409875e+00 4.26 -1.107332664e+00 4.28 -1.057071181e+00 4.30 -8.879654449e-01 4.32 -4.825716593e-01 4.34 -3.180045535e-01 4.36 -3.070925171e-01 4.38 -2.965336350e-01 4.40 -2.863177002e-01 4.42 -2.764347629e-01 4.44 -2.668751079e-01 4.46 -2.576292419e-01 4.48 -2.486878858e-01 4.50 -2.400419713e-01 4.52 -2.316826384e-01 4.54 -2.236012336e-01 4.56 -2.157893083e-01 4.58 -2.082386173e-01 4.60 -2.009411170e-01 4.62 -1.938889635e-01 4.64 -1.870745105e-01 4.66 -1.804903072e-01 4.68 -1.741290956e-01 4.70 -1.679838087e-01 4.72 -1.620475674e-01 4.74 -1.563136777e-01 4.76 -1.507756284e-01 4.78 -1.454270880e-01 4.80 -1.402619016e-01 4.82 -1.352740882e-01 4.84 -1.304578373e-01 4.86 -1.258075058e-01 4.88 -1.213176152e-01 4.90 -1.169828480e-01 4.92 -1.127617926e-01 4.94 -1.081519916e-01 4.96 -9.985480990e-02 4.98 -7.009006533e-02 5.00 -1.608000431e-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