# 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 = CoTi2 # 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 5.786206155e+02 0.92 5.323629796e+02 0.94 4.899524316e+02 0.96 4.507486240e+02 0.98 4.146337382e+02 1.00 3.812436963e+02 1.02 3.488233156e+02 1.04 3.175570771e+02 1.06 2.879101741e+02 1.08 2.601608766e+02 1.10 2.344503018e+02 1.12 2.108207066e+02 1.14 1.892447412e+02 1.16 1.696476559e+02 1.18 1.519239861e+02 1.20 1.359499659e+02 1.22 1.215926336e+02 1.24 1.087163872e+02 1.26 9.718759529e+01 1.28 8.687772632e+01 1.30 7.766536778e+01 1.32 6.943741712e+01 1.34 6.208966636e+01 1.36 5.552695213e+01 1.38 4.966299837e+01 1.40 4.442005367e+01 1.42 3.972839675e+01 1.44 3.552576399e+01 1.46 3.175674225e+01 1.48 2.837215379e+01 1.50 2.532845406e+01 1.52 2.258715747e+01 1.54 2.011429737e+01 1.56 1.787992686e+01 1.58 1.585766236e+01 1.60 1.402426919e+01 1.62 1.235928926e+01 1.64 1.084470817e+01 1.66 9.464658934e+00 1.68 8.205160215e+00 1.70 7.053885230e+00 1.72 5.999958647e+00 1.74 5.033778795e+00 1.76 4.146861885e+00 1.78 3.331706064e+00 1.80 2.581672921e+00 1.82 1.890884010e+00 1.84 1.254130808e+00 1.86 6.667962241e-01 1.88 1.247860474e-01 1.90 -3.755307800e-01 1.92 -8.373744419e-01 1.94 -1.263600049e+00 1.96 -1.656737786e+00 1.98 -2.019028306e+00 2.00 -2.352453987e+00 2.02 -2.658769642e+00 2.04 -2.939545770e+00 2.06 -3.196237609e+00 2.08 -3.430226596e+00 2.10 -3.642825804e+00 2.12 -3.835283064e+00 2.14 -4.008783949e+00 2.16 -4.164454636e+00 2.18 -4.303364623e+00 2.20 -4.426529362e+00 2.22 -4.534912748e+00 2.24 -4.629429510e+00 2.26 -4.710947501e+00 2.28 -4.780289881e+00 2.30 -4.838237203e+00 2.32 -4.885529423e+00 2.34 -4.922867798e+00 2.36 -4.950916715e+00 2.38 -4.970305441e+00 2.40 -4.981629784e+00 2.42 -4.985453689e+00 2.44 -4.982310759e+00 2.46 -4.972705711e+00 2.48 -4.957115765e+00 2.50 -4.935991968e+00 2.52 -4.909760467e+00 2.54 -4.878823712e+00 2.56 -4.843561618e+00 2.58 -4.804332664e+00 2.60 -4.761474948e+00 2.62 -4.715307193e+00 2.64 -4.666129704e+00 2.66 -4.614225284e+00 2.68 -4.559860112e+00 2.70 -4.503284570e+00 2.72 -4.444734042e+00 2.74 -4.384429672e+00 2.76 -4.322579087e+00 2.78 -4.259377086e+00 2.80 -4.195006300e+00 2.82 -4.129637814e+00 2.84 -4.063431770e+00 2.86 -3.996537935e+00 2.88 -3.929096242e+00 2.90 -3.861237306e+00 2.92 -3.793082922e+00 2.94 -3.724746530e+00 2.96 -3.656333661e+00 2.98 -3.587942365e+00 3.00 -3.519663616e+00 3.02 -3.451581698e+00 3.04 -3.383774580e+00 3.06 -3.316314250e+00 3.08 -3.249266995e+00 3.10 -3.182693862e+00 3.12 -3.116650835e+00 3.14 -3.051189162e+00 3.16 -2.986355617e+00 3.18 -2.922192766e+00 3.20 -2.858739208e+00 3.22 -2.796029809e+00 3.24 -2.734095925e+00 3.26 -2.672965610e+00 3.28 -2.612663815e+00 3.30 -2.553212582e+00 3.32 -2.494631220e+00 3.34 -2.436936474e+00 3.36 -2.380142691e+00 3.38 -2.324261971e+00 3.40 -2.269304313e+00 3.42 -2.215277752e+00 3.44 -2.162188492e+00 3.46 -2.110041025e+00 3.48 -2.058838253e+00 3.50 -2.008581596e+00 3.52 -1.959271097e+00 3.54 -1.910905522e+00 3.56 -1.863482455e+00 3.58 -1.816998382e+00 3.60 -1.771448781e+00 3.62 -1.726828194e+00 3.64 -1.683130310e+00 3.66 -1.640348027e+00 3.68 -1.598473525e+00 3.70 -1.557498324e+00 3.72 -1.517413346e+00 3.74 -1.478208969e+00 3.76 -1.439875080e+00 3.78 -1.402401124e+00 3.80 -1.365776150e+00 3.82 -1.329988856e+00 3.84 -1.295027625e+00 3.86 -1.260880571e+00 3.88 -1.227535568e+00 3.90 -1.194980287e+00 3.92 -1.163202226e+00 3.94 -1.132188742e+00 3.96 -1.101927073e+00 3.98 -1.072404372e+00 4.00 -1.043607722e+00 4.02 -1.015524166e+00 4.04 -9.881407212e-01 4.06 -9.614444031e-01 4.08 -9.354222411e-01 4.10 -9.100612956e-01 4.12 -8.853486731e-01 4.14 -8.612715406e-01 4.16 -8.378171384e-01 4.18 -8.149727921e-01 4.20 -7.927259236e-01 4.22 -7.710640614e-01 4.24 -7.499748491e-01 4.26 -7.289277683e-01 4.28 -6.972390337e-01 4.30 -6.197331121e-01 4.32 -4.373591003e-01 4.34 -3.461301389e-01 4.36 -3.350736825e-01 4.38 -3.243194630e-01 4.40 -3.138599323e-01 4.42 -3.036876735e-01 4.44 -2.937954028e-01 4.46 -2.841759701e-01 4.48 -2.748223598e-01 4.50 -2.657276914e-01 4.52 -2.568852193e-01 4.54 -2.482883336e-01 4.56 -2.399305596e-01 4.58 -2.318055575e-01 4.60 -2.239071223e-01 4.62 -2.162291829e-01 4.64 -2.087658021e-01 4.66 -2.015111752e-01 4.68 -1.944596296e-01 4.70 -1.876056237e-01 4.72 -1.809437461e-01 4.74 -1.744687144e-01 4.76 -1.681753743e-01 4.78 -1.620586981e-01 4.80 -1.561137840e-01 4.82 -1.503358546e-01 4.84 -1.447202555e-01 4.86 -1.392624546e-01 4.88 -1.339580402e-01 4.90 -1.288027203e-01 4.92 -1.238724293e-01 4.94 -1.201168025e-01 4.96 -1.167068511e-01 4.98 -8.996348421e-02 5.00 -2.542633416e-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