# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P # implementation = 2022--Chrobak-D--In-P--LAMMPS--ipr1 # composition = In2P # 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 1.588019322e+03 0.74 1.440481085e+03 0.76 1.309053104e+03 0.78 1.193441830e+03 0.80 1.088895181e+03 0.82 9.950047790e+02 0.84 9.114564531e+02 0.86 8.360493754e+02 0.88 7.676221256e+02 0.90 7.059703437e+02 0.92 6.500536637e+02 0.94 5.992076526e+02 0.96 5.521626827e+02 0.98 5.091554821e+02 1.00 4.706001337e+02 1.02 4.354529441e+02 1.04 4.032315795e+02 1.06 3.735049639e+02 1.08 3.459419893e+02 1.10 3.203305318e+02 1.12 2.969582166e+02 1.14 2.758009981e+02 1.16 2.563376267e+02 1.18 2.383208904e+02 1.20 2.216303476e+02 1.22 2.061065495e+02 1.24 1.916284761e+02 1.26 1.782079901e+02 1.28 1.657642750e+02 1.30 1.539595925e+02 1.32 1.429265074e+02 1.34 1.327616702e+02 1.36 1.234509121e+02 1.38 1.148281190e+02 1.40 1.068868957e+02 1.42 9.950947860e+01 1.44 9.262446524e+01 1.46 8.619737295e+01 1.48 8.019396812e+01 1.50 7.456555514e+01 1.52 6.929531104e+01 1.54 6.437811520e+01 1.56 5.980459294e+01 1.58 5.554165418e+01 1.60 5.155760627e+01 1.62 4.783390425e+01 1.64 4.435332413e+01 1.66 4.109985856e+01 1.68 3.803740408e+01 1.70 3.502584306e+01 1.72 3.210875909e+01 1.74 2.937214620e+01 1.76 2.689776226e+01 1.78 2.472212718e+01 1.80 2.267902536e+01 1.82 2.066958794e+01 1.84 1.867842616e+01 1.86 1.674470181e+01 1.88 1.497626851e+01 1.90 1.351462174e+01 1.92 1.225671680e+01 1.94 1.108249663e+01 1.96 9.986862649e+00 1.98 8.965017374e+00 2.00 8.012446868e+00 2.02 7.124904179e+00 2.04 6.298393739e+00 2.06 5.529156683e+00 2.08 4.813657012e+00 2.10 4.129309590e+00 2.12 3.449608942e+00 2.14 2.781245132e+00 2.16 2.140515414e+00 2.18 1.558884481e+00 2.20 1.072355357e+00 2.22 6.729236596e-01 2.24 3.063916136e-01 2.26 -3.123035660e-02 2.28 -3.418027295e-01 2.30 -6.270738581e-01 2.32 -8.886865544e-01 2.34 -1.128184291e+00 2.36 -1.347017044e+00 2.38 -1.546546794e+00 2.40 -1.728052709e+00 2.42 -1.892736024e+00 2.44 -2.041724641e+00 2.46 -2.176077455e+00 2.48 -2.296788435e+00 2.50 -2.404790460e+00 2.52 -2.500958940e+00 2.54 -2.586115216e+00 2.56 -2.661029772e+00 2.58 -2.726425252e+00 2.60 -2.782979304e+00 2.62 -2.831327259e+00 2.64 -2.872064649e+00 2.66 -2.905749585e+00 2.68 -2.932904991e+00 2.70 -2.954020705e+00 2.72 -2.969555463e+00 2.74 -2.979938766e+00 2.76 -2.985572631e+00 2.78 -2.986833247e+00 2.80 -2.984072531e+00 2.82 -2.977619591e+00 2.84 -2.967782105e+00 2.86 -2.954847620e+00 2.88 -2.939084771e+00 2.90 -2.920744431e+00 2.92 -2.900060792e+00 2.94 -2.877252384e+00 2.96 -2.853205625e+00 2.98 -2.829170868e+00 3.00 -2.805662925e+00 3.02 -2.783325690e+00 3.04 -2.759636420e+00 3.06 -2.726936443e+00 3.08 -2.679139812e+00 3.10 -2.622825227e+00 3.12 -2.572263615e+00 3.14 -2.526446015e+00 3.16 -2.480561378e+00 3.18 -2.434685170e+00 3.20 -2.388886613e+00 3.22 -2.305330115e+00 3.24 -2.147522899e+00 3.26 -1.919014041e+00 3.28 -1.630717028e+00 3.30 -1.302696645e+00 3.32 -9.514083971e-01 3.34 -5.827263478e-01 3.36 -2.659278932e-01 3.38 -6.662851276e-02 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 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