# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Mo # implementation = 2017--Kim-J-S--Pt-Mo--LAMMPS--ipr1 # composition = Mo2Pt # 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 2024-11-27 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 4.007217792e+02 0.86 3.808006228e+02 0.88 3.616196184e+02 0.90 3.431687957e+02 0.92 3.254365244e+02 0.94 3.084097494e+02 0.96 2.920742051e+02 0.98 2.764146090e+02 1.00 2.614148370e+02 1.02 2.470580816e+02 1.04 2.333269938e+02 1.06 2.202038121e+02 1.08 2.076704765e+02 1.10 1.957087316e+02 1.12 1.843002183e+02 1.14 1.734265553e+02 1.16 1.630694112e+02 1.18 1.532105683e+02 1.20 1.438319788e+02 1.22 1.349158135e+02 1.24 1.264445046e+02 1.26 1.184007819e+02 1.28 1.107677049e+02 1.30 1.035286885e+02 1.32 9.666752582e+01 1.34 9.016840617e+01 1.36 8.401592969e+01 1.38 7.819511888e+01 1.40 7.269142713e+01 1.42 6.749074470e+01 1.44 6.257940239e+01 1.46 5.794417032e+01 1.48 5.357225032e+01 1.50 4.945128569e+01 1.52 4.556936077e+01 1.54 4.191499545e+01 1.56 3.847713880e+01 1.58 3.524516187e+01 1.60 3.220884974e+01 1.62 2.935839299e+01 1.64 2.668437863e+01 1.66 2.417778068e+01 1.68 2.182995028e+01 1.70 1.963260565e+01 1.72 1.757782178e+01 1.74 1.565801998e+01 1.76 1.386595733e+01 1.78 1.219471612e+01 1.80 1.063769320e+01 1.82 9.188589503e+00 1.84 7.841399478e+00 1.86 6.590400732e+00 1.88 5.430143747e+00 1.90 4.355441756e+00 1.92 3.361360780e+00 1.94 2.443209850e+00 1.96 1.596531427e+00 1.98 8.170920342e-01 2.00 1.008730978e-01 2.02 -5.559379715e-01 2.04 -1.156956472e+00 2.06 -1.705608864e+00 2.08 -2.205140979e+00 2.10 -2.658625989e+00 2.12 -3.068972130e+00 2.14 -3.438930185e+00 2.16 -3.771100716e+00 2.18 -4.067941072e+00 2.20 -4.331772141e+00 2.22 -4.564784885e+00 2.24 -4.769046639e+00 2.26 -4.946507185e+00 2.28 -5.099004615e+00 2.30 -5.228270906e+00 2.32 -5.335280743e+00 2.34 -5.416706389e+00 2.36 -5.482403888e+00 2.38 -5.534226060e+00 2.40 -5.570081515e+00 2.42 -5.591172220e+00 2.44 -5.598628271e+00 2.46 -5.593512062e+00 2.48 -5.576822301e+00 2.50 -5.549497869e+00 2.52 -5.512421540e+00 2.54 -5.466423547e+00 2.56 -5.412285018e+00 2.58 -5.350741269e+00 2.60 -5.282484954e+00 2.62 -5.208169086e+00 2.64 -5.128409910e+00 2.66 -5.043789628e+00 2.68 -4.954858986e+00 2.70 -4.862139684e+00 2.72 -4.766126639e+00 2.74 -4.667290056e+00 2.76 -4.566077310e+00 2.78 -4.462968674e+00 2.80 -4.358578109e+00 2.82 -4.253496287e+00 2.84 -4.148259435e+00 2.86 -4.043354159e+00 2.88 -3.939221640e+00 2.90 -3.836261267e+00 2.92 -3.734833733e+00 2.94 -3.635263627e+00 2.96 -3.537841571e+00 2.98 -3.442825927e+00 3.00 -3.350444150e+00 3.02 -3.260893828e+00 3.04 -3.174343481e+00 3.06 -3.090933184e+00 3.08 -3.010775086e+00 3.10 -2.933953898e+00 3.12 -2.860527407e+00 3.14 -2.790527095e+00 3.16 -2.723958909e+00 3.18 -2.660804224e+00 3.20 -2.601021037e+00 3.22 -2.544545407e+00 3.24 -2.491293143e+00 3.26 -2.441161730e+00 3.28 -2.394032465e+00 3.30 -2.349772771e+00 3.32 -2.308238632e+00 3.34 -2.269277103e+00 3.36 -2.232728833e+00 3.38 -2.198430540e+00 3.40 -2.166217386e+00 3.42 -2.135925199e+00 3.44 -2.107392486e+00 3.46 -2.080462225e+00 3.48 -2.054983381e+00 3.50 -2.030812154e+00 3.52 -2.007812943e+00 3.54 -1.985859027e+00 3.56 -1.964832987e+00 3.58 -1.944626883e+00 3.60 -1.925142213e+00 3.62 -1.906289688e+00 3.64 -1.887988856e+00 3.66 -1.870167602e+00 3.68 -1.852761581e+00 3.70 -1.835713580e+00 3.72 -1.818972875e+00 3.74 -1.802494579e+00 3.76 -1.786239016e+00 3.78 -1.770171138e+00 3.80 -1.754259982e+00 3.82 -1.738473594e+00 3.84 -1.722392157e+00 3.86 -1.704229650e+00 3.88 -1.682347553e+00 3.90 -1.662532489e+00 3.92 -1.647599860e+00 3.94 -1.632669254e+00 3.96 -1.617730142e+00 3.98 -1.602773438e+00 4.00 -1.587791392e+00 4.02 -1.572777498e+00 4.04 -1.557726406e+00 4.06 -1.542633849e+00 4.08 -1.527496561e+00 4.10 -1.512312213e+00 4.12 -1.497079341e+00 4.14 -1.481797286e+00 4.16 -1.466466128e+00 4.18 -1.451086630e+00 4.20 -1.435660181e+00 4.22 -1.420188738e+00 4.24 -1.404674777e+00 4.26 -1.389121243e+00 4.28 -1.373531497e+00 4.30 -1.357909278e+00 4.32 -1.342258654e+00 4.34 -1.326583981e+00 4.36 -1.310889864e+00 4.38 -1.295181123e+00 4.40 -1.279462752e+00 4.42 -1.259790144e+00 4.44 -1.186280792e+00 4.46 -9.390801126e-01 4.48 -4.332568904e-01 4.50 -6.063471714e-23 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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