# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Tramontina-D-R-Deluigi-O-R-Pinzon-R-et-al--Fe-Cu-Ni # implementation = 2023--Tramontina-D-R--Fe-Cu-Ni--LAMMPS--ipr1 # composition = FeNi2 # 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 2023-06-29 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 6.937549288e+02 0.90 6.256874986e+02 0.92 5.657121288e+02 0.94 5.125490892e+02 0.96 4.650944137e+02 0.98 4.226431138e+02 1.00 3.846007399e+02 1.02 3.504441894e+02 1.04 3.197720962e+02 1.06 2.922492779e+02 1.08 2.675174480e+02 1.10 2.452063324e+02 1.12 2.249845102e+02 1.14 2.065722220e+02 1.16 1.897059137e+02 1.18 1.742516963e+02 1.20 1.601818139e+02 1.22 1.474534326e+02 1.24 1.359647758e+02 1.26 1.255530598e+02 1.28 1.158413373e+02 1.30 1.066521068e+02 1.32 9.797152893e+01 1.34 8.974230046e+01 1.36 8.195326499e+01 1.38 7.471165635e+01 1.40 6.809664627e+01 1.42 6.187381471e+01 1.44 5.596119491e+01 1.46 5.038574030e+01 1.48 4.517696283e+01 1.50 4.036553337e+01 1.52 3.597188039e+01 1.54 3.197840920e+01 1.56 2.835408006e+01 1.58 2.507165528e+01 1.60 2.210652950e+01 1.62 1.943292929e+01 1.64 1.702715973e+01 1.66 1.487419574e+01 1.68 1.296230297e+01 1.70 1.127807985e+01 1.72 9.800857310e+00 1.74 8.500357521e+00 1.76 7.345630460e+00 1.78 6.305987867e+00 1.80 5.351022422e+00 1.82 4.455415076e+00 1.84 3.611570080e+00 1.86 2.817643354e+00 1.88 2.074888939e+00 1.90 1.383712207e+00 1.92 7.439012934e-01 1.94 1.555209351e-01 1.96 -3.810751000e-01 1.98 -8.653429746e-01 2.00 -1.296625134e+00 2.02 -1.675531349e+00 2.04 -2.006100113e+00 2.06 -2.292326774e+00 2.08 -2.537928631e+00 2.10 -2.746174044e+00 2.12 -2.921129345e+00 2.14 -3.067627517e+00 2.16 -3.190610555e+00 2.18 -3.295826484e+00 2.20 -3.388963593e+00 2.22 -3.474173129e+00 2.24 -3.551371415e+00 2.26 -3.619453172e+00 2.28 -3.677374929e+00 2.30 -3.724377411e+00 2.32 -3.759867714e+00 2.34 -3.783266101e+00 2.36 -3.794037769e+00 2.38 -3.792647137e+00 2.40 -3.780521639e+00 2.42 -3.758634311e+00 2.44 -3.728151287e+00 2.46 -3.690365434e+00 2.48 -3.646502574e+00 2.50 -3.598462920e+00 2.52 -3.548961492e+00 2.54 -3.498220326e+00 2.56 -3.446174544e+00 2.58 -3.392756663e+00 2.60 -3.337861564e+00 2.62 -3.281341887e+00 2.64 -3.223194617e+00 2.66 -3.163588378e+00 2.68 -3.102700222e+00 2.70 -3.040705977e+00 2.72 -2.977780222e+00 2.74 -2.914096513e+00 2.76 -2.849827687e+00 2.78 -2.785146197e+00 2.80 -2.720224360e+00 2.82 -2.655235243e+00 2.84 -2.590353078e+00 2.86 -2.525753998e+00 2.88 -2.461616865e+00 2.90 -2.398117580e+00 2.92 -2.335435186e+00 2.94 -2.273687153e+00 2.96 -2.212228668e+00 2.98 -2.150900310e+00 3.00 -2.089746109e+00 3.02 -2.028944486e+00 3.04 -1.968975542e+00 3.06 -1.909910741e+00 3.08 -1.851790170e+00 3.10 -1.794652162e+00 3.12 -1.738533235e+00 3.14 -1.683468295e+00 3.16 -1.629490629e+00 3.18 -1.576632020e+00 3.20 -1.524922745e+00 3.22 -1.474391612e+00 3.24 -1.425065877e+00 3.26 -1.376971595e+00 3.28 -1.330135263e+00 3.30 -1.284583173e+00 3.32 -1.240340436e+00 3.34 -1.197431019e+00 3.36 -1.155877875e+00 3.38 -1.115702870e+00 3.40 -1.076926829e+00 3.42 -1.039569400e+00 3.44 -1.003649405e+00 3.46 -9.691846292e-01 3.48 -9.361918183e-01 3.50 -9.046867010e-01 3.52 -8.746713000e-01 3.54 -8.460967892e-01 3.56 -8.189004040e-01 3.58 -7.930179963e-01 3.60 -7.683853826e-01 3.62 -7.449366660e-01 3.64 -7.226045052e-01 3.66 -7.013218569e-01 3.68 -6.810200826e-01 3.70 -6.616297006e-01 3.72 -6.430806291e-01 3.74 -6.253017524e-01 3.76 -6.082196836e-01 3.78 -5.917598635e-01 3.80 -5.758605814e-01 3.82 -5.604513533e-01 3.84 -5.454161395e-01 3.86 -5.308298029e-01 3.88 -5.163456216e-01 3.90 -5.021211737e-01 3.92 -4.877857844e-01 3.94 -4.734362926e-01 3.96 -4.591694722e-01 3.98 -4.450577505e-01 4.00 -4.311443522e-01 4.02 -4.174656825e-01 4.04 -4.040957587e-01 4.06 -3.910780851e-01 4.08 -3.785344232e-01 4.10 -3.665343828e-01 4.12 -3.551007260e-01 4.14 -3.442402585e-01 4.16 -3.338135935e-01 4.18 -3.232502609e-01 4.20 -3.124815293e-01 4.22 -3.015026563e-01 4.24 -2.903412028e-01 4.26 -2.790326293e-01 4.28 -2.676122936e-01 4.30 -2.561153916e-01 4.32 -2.445769079e-01 4.34 -2.330316535e-01 4.36 -2.215142147e-01 4.38 -2.100592099e-01 4.40 -1.987009273e-01 4.42 -1.874734281e-01 4.44 -1.764102860e-01 4.46 -1.655453948e-01 4.48 -1.549131901e-01 4.50 -1.445439909e-01 4.52 -1.344647139e-01 4.54 -1.246629963e-01 4.56 -1.149937211e-01 4.58 -1.056048306e-01 4.60 -9.728509994e-02 4.62 -8.959829757e-02 4.64 -8.036651074e-02 4.66 -6.864687692e-02 4.68 -5.547316166e-02 4.70 -4.314141760e-02 4.72 -3.292809457e-02 4.74 -2.532271478e-02 4.76 -2.037055079e-02 4.78 -1.795145558e-02 4.80 -1.764515744e-02 4.82 -1.770084884e-02 4.84 -1.785569382e-02 4.86 -1.809505495e-02 4.88 -1.840429444e-02 4.90 -1.876877541e-02 4.92 -1.917386076e-02 4.94 -1.960491303e-02 4.96 -2.004729454e-02 4.98 -2.048636885e-02 5.00 -2.090749775e-02 5.02 -2.129870155e-02 5.04 -2.165862668e-02 5.06 -2.198857557e-02 5.08 -2.228985249e-02 5.10 -2.256376023e-02 5.12 -2.281160228e-02 5.14 -2.303468197e-02 5.16 -2.323430203e-02 5.18 -2.341176629e-02 5.20 -2.356837843e-02 5.22 -2.370544093e-02 5.24 -2.382425738e-02 5.26 -2.392613108e-02 5.28 -2.401236525e-02 5.30 -2.408426337e-02 5.32 -2.414312863e-02 5.34 -2.419026413e-02 5.36 -2.422697317e-02 5.38 -2.425455957e-02 5.40 -2.427432617e-02 5.42 -2.428757631e-02 5.44 -2.429561310e-02 5.46 -2.429974027e-02 5.48 -2.430126065e-02 5.50 -2.430147800e-02 5.52 -2.430147800e-02 5.54 -2.430147800e-02 5.56 -2.430147800e-02 5.58 -2.430147800e-02 5.60 -2.430147800e-02 5.62 -2.430147800e-02 5.64 -2.430147800e-02 5.66 -2.430147800e-02 5.68 -2.430147800e-02 5.70 -2.430147800e-02 5.72 -2.430147800e-02 5.74 -2.430147800e-02 5.76 -2.430147800e-02 5.78 -2.430147800e-02 5.80 -2.430147800e-02 5.82 -2.430147800e-02 5.84 -2.430147800e-02 5.86 -2.430147800e-02 5.88 -2.430147800e-02 5.90 -2.430147800e-02 5.92 -2.430147800e-02 5.94 -2.430147800e-02 5.96 -2.430147800e-02 5.98 -2.430147800e-02 6.00 -2.430147800e-02