# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2000--Lenosky-T-J-Sadigh-B-Alonso-E-et-al--Si # implementation = 2000--Lenosky-T-J--Si--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Si Si 0.02 7.136596153e+01 0.04 7.049900806e+01 0.06 6.963200919e+01 0.08 6.876496456e+01 0.10 6.789787382e+01 0.12 6.703073662e+01 0.14 6.616355261e+01 0.16 6.529632141e+01 0.18 6.442904269e+01 0.20 6.356171608e+01 0.22 6.269434124e+01 0.24 6.182691780e+01 0.26 6.095944541e+01 0.28 6.009192372e+01 0.30 5.922435237e+01 0.32 5.835673100e+01 0.34 5.748905926e+01 0.36 5.662133681e+01 0.38 5.575356327e+01 0.40 5.488573829e+01 0.42 5.401786153e+01 0.44 5.314993263e+01 0.46 5.228195122e+01 0.48 5.141391696e+01 0.50 5.054582949e+01 0.52 4.967768846e+01 0.54 4.880949351e+01 0.56 4.794124428e+01 0.58 4.707294042e+01 0.60 4.620458158e+01 0.62 4.533616740e+01 0.64 4.446769753e+01 0.66 4.359917155e+01 0.68 4.273058868e+01 0.70 4.186194801e+01 0.72 4.099324863e+01 0.74 4.012448962e+01 0.76 3.925567006e+01 0.78 3.838678905e+01 0.80 3.751784565e+01 0.82 3.664883897e+01 0.84 3.577976808e+01 0.86 3.491063207e+01 0.88 3.404143003e+01 0.90 3.317216103e+01 0.92 3.230282417e+01 0.94 3.143341853e+01 0.96 3.056394319e+01 0.98 2.969439724e+01 1.00 2.882477977e+01 1.02 2.795508985e+01 1.04 2.708532658e+01 1.06 2.621548904e+01 1.08 2.534557631e+01 1.10 2.447558747e+01 1.12 2.360552163e+01 1.14 2.273537785e+01 1.16 2.186515522e+01 1.18 2.099485283e+01 1.20 2.012446976e+01 1.22 1.925400510e+01 1.24 1.838345794e+01 1.26 1.751282735e+01 1.28 1.664211242e+01 1.30 1.577131225e+01 1.32 1.490042590e+01 1.34 1.402945247e+01 1.36 1.315839105e+01 1.38 1.228724071e+01 1.40 1.141600054e+01 1.42 1.054466963e+01 1.44 9.673247064e+00 1.46 8.801731923e+00 1.48 7.930123294e+00 1.50 7.058420261e+00 1.52 6.218569414e+00 1.54 5.440410327e+00 1.56 4.720778086e+00 1.58 4.056502635e+00 1.60 3.444408093e+00 1.62 2.881311979e+00 1.64 2.364024345e+00 1.66 1.889346814e+00 1.68 1.454071503e+00 1.70 1.054979823e+00 1.72 6.889722168e-01 1.74 3.534723352e-01 1.76 4.605680551e-02 1.78 -2.356690176e-01 1.80 -4.940680005e-01 1.82 -7.314691798e-01 1.84 -9.501496204e-01 1.86 -1.151519554e+00 1.88 -1.335674135e+00 1.90 -1.502574204e+00 1.92 -1.652343274e+00 1.94 -1.785825843e+00 1.96 -1.904066452e+00 1.98 -2.008129100e+00 2.00 -2.099094242e+00 2.02 -2.178056089e+00 2.04 -2.246120179e+00 2.06 -2.304401252e+00 2.08 -2.354021399e+00 2.10 -2.396108501e+00 2.12 -2.431739231e+00 2.14 -2.461770176e+00 2.16 -2.487003299e+00 2.18 -2.508204631e+00 2.20 -2.525713676e+00 2.22 -2.539594973e+00 2.24 -2.549909133e+00 2.26 -2.556717376e+00 2.28 -2.560081482e+00 2.30 -2.560063742e+00 2.32 -2.556731940e+00 2.34 -2.550174372e+00 2.36 -2.540484665e+00 2.38 -2.527756657e+00 2.40 -2.512084318e+00 2.42 -2.493561668e+00 2.44 -2.472282714e+00 2.46 -2.448341386e+00 2.48 -2.421831483e+00 2.50 -2.392846623e+00 2.52 -2.361480636e+00 2.54 -2.327828921e+00 2.56 -2.291987309e+00 2.58 -2.254051650e+00 2.60 -2.214117813e+00 2.62 -2.172281685e+00 2.64 -2.128639166e+00 2.66 -2.083286171e+00 2.68 -2.036318625e+00 2.70 -1.987832462e+00 2.72 -1.937911025e+00 2.74 -1.886587457e+00 2.76 -1.833882878e+00 2.78 -1.779819089e+00 2.80 -1.724418637e+00 2.82 -1.667704892e+00 2.84 -1.609702742e+00 2.86 -1.550474208e+00 2.88 -1.490138431e+00 2.90 -1.428820624e+00 2.92 -1.366657174e+00 2.94 -1.303824871e+00 2.96 -1.240511139e+00 2.98 -1.176904219e+00 3.00 -1.113193191e+00 3.02 -1.049568006e+00 3.04 -9.862195064e-01 3.06 -9.233394612e-01 3.08 -8.611205903e-01 3.10 -7.997565939e-01 3.12 -7.394621581e-01 3.14 -6.805315975e-01 3.16 -6.232764217e-01 3.18 -5.679907590e-01 3.20 -5.147951101e-01 3.22 -4.636968786e-01 3.24 -4.146987247e-01 3.26 -3.678003618e-01 3.28 -3.229985509e-01 3.30 -2.802871285e-01 3.32 -2.397200324e-01 3.34 -2.015969032e-01 3.36 -1.662687995e-01 3.38 -1.340757302e-01 3.40 -1.053485753e-01 3.42 -8.041152247e-02 3.44 -5.958499472e-02 3.46 -4.318906554e-02 3.48 -3.154737309e-02 3.50 -2.499156964e-02 3.52 -2.144293244e-02 3.54 -1.855928399e-02 3.56 -1.628606714e-02 3.58 -1.456872475e-02 3.60 -1.335269967e-02 3.62 -1.258343475e-02 3.64 -1.220637285e-02 3.66 -1.216695682e-02 3.68 -1.241062952e-02 3.70 -1.288283381e-02 3.72 -1.352901253e-02 3.74 -1.429460855e-02 3.76 -1.512506471e-02 3.78 -1.596582388e-02 3.80 -1.676232889e-02 3.82 -1.746002262e-02 3.84 -1.800476090e-02 3.86 -1.836717849e-02 3.88 -1.855631748e-02 3.90 -1.858452383e-02 3.92 -1.846414349e-02 3.94 -1.820752242e-02 3.96 -1.782700657e-02 3.98 -1.733494189e-02 4.00 -1.674367434e-02 4.02 -1.606554986e-02 4.04 -1.531291443e-02 4.06 -1.449811397e-02 4.08 -1.363349446e-02 4.10 -1.273140184e-02 4.12 -1.180418207e-02 4.14 -1.086418110e-02 4.16 -9.923744882e-03 4.18 -8.994846062e-03 4.20 -8.085117557e-03 4.22 -7.199392461e-03 4.24 -6.342457204e-03 4.26 -5.519098216e-03 4.28 -4.734101928e-03 4.30 -3.992254770e-03 4.32 -3.298343173e-03 4.34 -2.657153566e-03 4.36 -2.073472379e-03 4.38 -1.552086044e-03 4.40 -1.097780990e-03 4.42 -7.153436477e-04 4.44 -4.095604472e-04 4.46 -1.852178189e-04 4.48 -4.710219312e-05 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 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00