# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Ni-H # implementation = 2013--Shim-J-H--V-Ni-H--LAMMPS--ipr1 # composition = HNi2 # 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 2022-05-24 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 9.906298668e+01 0.92 9.185298706e+01 0.94 8.508905100e+01 0.96 7.874740892e+01 0.98 7.280527410e+01 1.00 6.724082815e+01 1.02 6.203320303e+01 1.04 5.716246101e+01 1.06 5.260957287e+01 1.08 4.835639406e+01 1.10 4.438564008e+01 1.12 4.068086080e+01 1.14 3.722641383e+01 1.16 3.400743784e+01 1.18 3.100982514e+01 1.20 2.822019429e+01 1.22 2.562586280e+01 1.24 2.321481974e+01 1.26 2.097569862e+01 1.28 1.889775067e+01 1.30 1.697081830e+01 1.32 1.518530922e+01 1.34 1.353217097e+01 1.36 1.200286597e+01 1.38 1.058934729e+01 1.40 9.284035031e+00 1.42 8.079793332e+00 1.44 6.969908229e+00 1.46 5.948066127e+00 1.48 5.008333077e+00 1.50 4.145134844e+00 1.52 3.353237685e+00 1.54 2.627729970e+00 1.56 1.964004537e+00 1.58 1.357741803e+00 1.60 8.048936607e-01 1.62 3.016681043e-01 1.64 -1.554854261e-01 1.66 -5.698899669e-01 1.68 -9.446542919e-01 1.70 -1.282685488e+00 1.72 -1.586700881e+00 1.74 -1.859239354e+00 1.76 -2.102672047e+00 1.78 -2.319212497e+00 1.80 -2.510926225e+00 1.82 -2.679739784e+00 1.84 -2.827449318e+00 1.86 -2.955728633e+00 1.88 -3.066136813e+00 1.90 -3.160125404e+00 1.92 -3.239045183e+00 1.94 -3.304152535e+00 1.96 -3.356615456e+00 1.98 -3.397519211e+00 2.00 -3.427871652e+00 2.02 -3.448608223e+00 2.04 -3.460596666e+00 2.06 -3.464641441e+00 2.08 -3.461487890e+00 2.10 -3.451826135e+00 2.12 -3.436294748e+00 2.14 -3.415484196e+00 2.16 -3.389940065e+00 2.18 -3.360166097e+00 2.20 -3.326627031e+00 2.22 -3.289751269e+00 2.24 -3.249933370e+00 2.26 -3.207536395e+00 2.28 -3.162894097e+00 2.30 -3.116312974e+00 2.32 -3.068074190e+00 2.34 -3.018435374e+00 2.36 -2.967632298e+00 2.38 -2.915880452e+00 2.40 -2.863376512e+00 2.42 -2.810299713e+00 2.44 -2.756813130e+00 2.46 -2.703064878e+00 2.48 -2.649189265e+00 2.50 -2.595307802e+00 2.52 -2.541529904e+00 2.54 -2.487954409e+00 2.56 -2.434669942e+00 2.58 -2.381755829e+00 2.60 -2.329282831e+00 2.62 -2.277313823e+00 2.64 -2.225904428e+00 2.66 -2.175103604e+00 2.68 -2.124954189e+00 2.70 -2.075493412e+00 2.72 -2.026753360e+00 2.74 -1.978761417e+00 2.76 -1.931540669e+00 2.78 -1.885110277e+00 2.80 -1.839485828e+00 2.82 -1.794679651e+00 2.84 -1.750701121e+00 2.86 -1.707556928e+00 2.88 -1.665251335e+00 2.90 -1.623786409e+00 2.92 -1.583162239e+00 2.94 -1.543377136e+00 2.96 -1.504427813e+00 2.98 -1.466309557e+00 3.00 -1.429016385e+00 3.02 -1.392557667e+00 3.04 -1.357131830e+00 3.06 -1.322810575e+00 3.08 -1.288740060e+00 3.10 -1.255439031e+00 3.12 -1.222907427e+00 3.14 -1.191133769e+00 3.16 -1.160106163e+00 3.18 -1.129812368e+00 3.20 -1.100239855e+00 3.22 -1.071375872e+00 3.24 -1.043207492e+00 3.26 -1.015721656e+00 3.28 -9.889052256e-01 3.30 -9.627450107e-01 3.32 -9.372278103e-01 3.34 -9.123404412e-01 3.36 -8.880697655e-01 3.38 -8.644027152e-01 3.40 -8.413263142e-01 3.42 -8.188276971e-01 3.44 -7.968941264e-01 3.46 -7.755130075e-01 3.48 -7.546719008e-01 3.50 -7.343585339e-01 3.52 -7.145608100e-01 3.54 -6.952668169e-01 3.56 -6.764648334e-01 3.58 -6.581433346e-01 3.60 -6.402909968e-01 3.62 -6.228967009e-01 3.64 -6.059495349e-01 3.66 -5.894387957e-01 3.68 -5.733539904e-01 3.70 -5.576848369e-01 3.72 -5.424212635e-01 3.74 -5.275534084e-01 3.76 -5.130716189e-01 3.78 -4.989664497e-01 3.80 -4.852286614e-01 3.82 -4.718492180e-01 3.84 -4.588192852e-01 3.86 -4.461302274e-01 3.88 -4.337736047e-01 3.90 -4.217411708e-01 3.92 -4.100248690e-01 3.94 -3.986168298e-01 3.96 -3.875093670e-01 3.98 -3.766949749e-01 4.00 -3.661663244e-01 4.02 -3.559162600e-01 4.04 -3.459377961e-01 4.06 -3.362241135e-01 4.08 -3.267685560e-01 4.10 -3.175646270e-01 4.12 -3.086059857e-01 4.14 -2.998864443e-01 4.16 -2.913999639e-01 4.18 -2.831406517e-01 4.20 -2.751027573e-01 4.22 -2.672806696e-01 4.24 -2.596689135e-01 4.26 -2.520254377e-01 4.28 -2.394137469e-01 4.30 -2.034205945e-01 4.32 -1.019013242e-01 4.34 -4.067665603e-02 4.36 -3.910731854e-02 4.38 -3.758940724e-02 4.40 -3.612136563e-02 4.42 -3.470168361e-02 4.44 -3.332889600e-02 4.46 -3.200158118e-02 4.48 -3.071835970e-02 4.50 -2.947789303e-02 4.52 -2.827888221e-02 4.54 -2.712006671e-02 4.56 -2.600022317e-02 4.58 -2.491816434e-02 4.60 -2.387273788e-02 4.62 -2.286282535e-02 4.64 -2.188734118e-02 4.66 -2.094523162e-02 4.68 -2.003547382e-02 4.70 -1.915707486e-02 4.72 -1.830907087e-02 4.74 -1.749052617e-02 4.76 -1.670053236e-02 4.78 -1.593820758e-02 4.80 -1.520269568e-02 4.82 -1.449316543e-02 4.84 -1.380880986e-02 4.86 -1.314884547e-02 4.88 -1.251251155e-02 4.90 -1.189906957e-02 4.92 -1.148767502e-02 4.94 -1.345992045e-02 4.96 -2.137781543e-02 4.98 -2.673995041e-02 5.00 -7.158732695e-23 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