# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Alvi-S-M-A-A-Faiyad-A-Munshi-M-A-M-et-al--Au # implementation = 2022--Alvi-S-M-A-A--Au--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 2024-11-27 r Au Au 0.02 3.504676956e+06 0.04 1.410404446e+06 0.06 7.783477773e+05 0.08 4.915368120e+05 0.10 3.350443347e+05 0.12 2.399685955e+05 0.14 1.779986543e+05 0.16 1.355597025e+05 0.18 1.054106315e+05 0.20 8.337542306e+04 0.22 6.689868890e+04 0.24 5.434320211e+04 0.26 4.462098519e+04 0.28 3.698726302e+04 0.30 3.091957432e+04 0.32 2.604375898e+04 0.34 2.208705745e+04 0.36 1.884753766e+04 0.38 1.617363654e+04 0.40 1.395018698e+04 0.42 1.208869942e+04 0.44 1.052048174e+04 0.46 9.191705342e+03 0.48 8.059819219e+03 0.50 7.090910096e+03 0.52 6.257741959e+03 0.54 5.538283740e+03 0.56 4.914593192e+03 0.58 4.371965011e+03 0.60 3.898274093e+03 0.62 3.483465857e+03 0.64 3.119158208e+03 0.66 2.798327894e+03 0.68 2.515062206e+03 0.70 2.264361164e+03 0.72 2.041978672e+03 0.74 1.844294574e+03 0.76 1.668210883e+03 0.78 1.511067087e+03 0.80 1.370570873e+03 0.82 1.244741019e+03 0.84 1.131860144e+03 0.86 1.030435507e+03 0.88 9.391662297e+02 0.90 8.569158634e+02 0.92 7.826893212e+02 0.94 7.156133717e+02 0.96 6.549201357e+02 0.98 5.999330515e+02 1.00 5.500548908e+02 1.02 5.047575244e+02 1.04 4.635731322e+02 1.06 4.260866373e+02 1.08 3.919291921e+02 1.10 3.607725339e+02 1.12 3.323240982e+02 1.14 3.063227767e+02 1.16 2.825352180e+02 1.18 2.607526064e+02 1.20 2.407878469e+02 1.22 2.224730966e+02 1.24 2.056576054e+02 1.26 1.902058160e+02 1.28 1.759956924e+02 1.30 1.629172492e+02 1.32 1.508712525e+02 1.34 1.397680715e+02 1.36 1.295266649e+02 1.38 1.200736803e+02 1.40 1.113426570e+02 1.42 1.032733182e+02 1.44 9.581094050e+01 1.46 8.890579437e+01 1.48 8.251264443e+01 1.50 7.659030397e+01 1.52 7.109912038e+01 1.54 6.557865769e+01 1.56 5.980552789e+01 1.58 5.399816451e+01 1.60 4.831271860e+01 1.62 4.285824130e+01 1.64 3.770735768e+01 1.66 3.290478983e+01 1.68 2.847412850e+01 1.70 2.442320092e+01 1.72 2.074830150e+01 1.74 1.743750612e+01 1.76 1.447325443e+01 1.78 1.183434266e+01 1.80 9.497446834e+00 1.82 7.438272856e+00 1.84 5.632409964e+00 1.86 4.055951106e+00 1.88 2.685930034e+00 1.90 1.500616149e+00 1.92 4.796994058e-01 1.94 -3.956089490e-01 1.96 -1.142538469e+00 1.98 -1.776768744e+00 2.00 -2.312472397e+00 2.02 -2.762381488e+00 2.04 -3.137870043e+00 2.06 -3.449045888e+00 2.08 -3.704847424e+00 2.10 -3.913141993e+00 2.12 -4.080822769e+00 2.14 -4.213902676e+00 2.16 -4.317603943e+00 2.18 -4.396442202e+00 2.20 -4.454304961e+00 2.22 -4.494523957e+00 2.24 -4.519941350e+00 2.26 -4.532970038e+00 2.28 -4.535648077e+00 2.30 -4.529687606e+00 2.32 -4.516518641e+00 2.34 -4.497327987e+00 2.36 -4.473093747e+00 2.38 -4.444615777e+00 2.40 -4.412542424e+00 2.42 -4.377393983e+00 2.44 -4.339583352e+00 2.46 -4.299445177e+00 2.48 -4.257278400e+00 2.50 -4.213358678e+00 2.52 -4.167939908e+00 2.54 -4.121255572e+00 2.56 -4.073520013e+00 2.58 -4.024929641e+00 2.60 -3.975664089e+00 2.62 -3.925887296e+00 2.64 -3.875748542e+00 2.66 -3.825383424e+00 2.68 -3.774914787e+00 2.70 -3.724453597e+00 2.72 -3.674099773e+00 2.74 -3.623942970e+00 2.76 -3.574063326e+00 2.78 -3.524532156e+00 2.80 -3.475412616e+00 2.82 -3.426760325e+00 2.84 -3.378623950e+00 2.86 -3.331045759e+00 2.88 -3.284062139e+00 2.90 -3.237705454e+00 2.92 -3.192012634e+00 2.94 -3.147018378e+00 2.96 -3.102750891e+00 2.98 -3.059232493e+00 3.00 -3.016480210e+00 3.02 -2.974506313e+00 3.04 -2.933318822e+00 3.06 -2.892921967e+00 3.08 -2.853316608e+00 3.10 -2.814500628e+00 3.12 -2.776469292e+00 3.14 -2.739215566e+00 3.16 -2.702730424e+00 3.18 -2.667003114e+00 3.20 -2.632021413e+00 3.22 -2.597771843e+00 3.24 -2.564239885e+00 3.26 -2.531410158e+00 3.28 -2.499266586e+00 3.30 -2.467792553e+00 3.32 -2.436971033e+00 3.34 -2.406784712e+00 3.36 -2.377216098e+00 3.38 -2.348247614e+00 3.40 -2.319861685e+00 3.42 -2.292040812e+00 3.44 -2.264767635e+00 3.46 -2.238024994e+00 3.48 -2.211795980e+00 3.50 -2.186063969e+00 3.52 -2.160812668e+00 3.54 -2.136026140e+00 3.56 -2.111688830e+00 3.58 -2.087785588e+00 3.60 -2.064301682e+00 3.62 -2.041222812e+00 3.64 -2.018535121e+00 3.66 -1.996225200e+00 3.68 -1.974280089e+00 3.70 -1.952687281e+00 3.72 -1.931434723e+00 3.74 -1.910510808e+00 3.76 -1.889904375e+00 3.78 -1.869604698e+00 3.80 -1.849601487e+00 3.82 -1.829884872e+00 3.84 -1.810445399e+00 3.86 -1.791274017e+00 3.88 -1.772362071e+00 3.90 -1.753701288e+00 3.92 -1.735283768e+00 3.94 -1.717101972e+00 3.96 -1.699148710e+00 3.98 -1.681417128e+00 4.00 -1.663900700e+00 4.02 -1.646593212e+00 4.04 -1.629488752e+00 4.06 -1.612581696e+00 4.08 -1.595866701e+00 4.10 -1.579338690e+00 4.12 -1.562992841e+00 4.14 -1.546824575e+00 4.16 -1.530829549e+00 4.18 -1.515003641e+00 4.20 -1.499342943e+00 4.22 -1.483843750e+00 4.24 -1.468502546e+00 4.26 -1.453316004e+00 4.28 -1.438280967e+00 4.30 -1.423394444e+00 4.32 -1.408653603e+00 4.34 -1.394055758e+00 4.36 -1.379598365e+00 4.38 -1.365279013e+00 4.40 -1.351095416e+00 4.42 -1.337045408e+00 4.44 -1.323126933e+00 4.46 -1.309338043e+00 4.48 -1.295676888e+00 4.50 -1.282141710e+00 4.52 -1.268730842e+00 4.54 -1.255442698e+00 4.56 -1.242275767e+00 4.58 -1.229228615e+00 4.60 -1.216299873e+00 4.62 -1.203488236e+00 4.64 -1.190792457e+00 4.66 -1.178211348e+00 4.68 -1.165743769e+00 4.70 -1.153388628e+00 4.72 -1.141144882e+00 4.74 -1.129011523e+00 4.76 -1.116987587e+00 4.78 -1.105072143e+00 4.80 -1.093264293e+00 4.82 -1.081563170e+00 4.84 -1.069967936e+00 4.86 -1.058477776e+00 4.88 -1.047091901e+00 4.90 -1.035809545e+00 4.92 -1.022334264e+00 4.94 -9.772181882e-01 4.96 -8.221953723e-01 4.98 -4.534463721e-01 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