# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2006--Chamati-H-Papanicolaou-N-I-Mishin-Y-Papaconstantopoulos-D-A--Fe # implementation = 2006--Chamati-H--Fe--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 Fe Fe 0.02 6.308785477e+07 0.04 6.030480064e+07 0.06 5.749211622e+07 0.08 5.465967828e+07 0.10 5.181736358e+07 0.12 4.897504888e+07 0.14 4.614261094e+07 0.16 4.332992652e+07 0.18 4.054687239e+07 0.20 3.780311002e+07 0.22 3.510576073e+07 0.24 3.246450857e+07 0.26 2.989001068e+07 0.28 2.739285197e+07 0.30 2.498354005e+07 0.32 2.267134182e+07 0.34 2.046078853e+07 0.36 1.835515875e+07 0.38 1.635765809e+07 0.40 1.447143562e+07 0.42 1.269959685e+07 0.44 1.104521406e+07 0.46 9.511334223e+06 0.48 8.100985318e+06 0.50 6.817181334e+06 0.52 5.692616828e+06 0.54 4.753068420e+06 0.56 3.968474173e+06 0.58 3.313290216e+06 0.60 2.766182414e+06 0.62 2.309332674e+06 0.64 1.927859570e+06 0.66 1.609334415e+06 0.68 1.343377082e+06 0.70 1.121318415e+06 0.72 9.359182716e+05 0.74 7.811300267e+05 0.76 6.519038740e+05 0.78 5.440225454e+05 0.80 4.539640987e+05 0.82 3.787873161e+05 0.84 3.160359872e+05 0.86 2.636589659e+05 0.88 2.199434002e+05 0.90 1.834589698e+05 0.92 1.530113314e+05 0.94 1.276032279e+05 0.96 1.064019856e+05 0.98 8.871236931e+04 1.00 7.395391214e+04 1.02 6.164198043e+04 1.04 5.137195896e+04 1.06 4.280604933e+04 1.08 3.566224629e+04 1.10 2.970513177e+04 1.12 2.473818691e+04 1.14 2.059737178e+04 1.16 1.714576423e+04 1.18 1.426908297e+04 1.20 1.187194928e+04 1.22 9.874765321e+03 1.24 8.211107554e+03 1.26 6.825550237e+03 1.28 5.671848309e+03 1.30 4.711419950e+03 1.32 3.912079475e+03 1.34 3.246979525e+03 1.36 2.693727966e+03 1.38 2.233650658e+03 1.40 1.851175987e+03 1.42 1.533321085e+03 1.44 1.269262964e+03 1.46 1.049980529e+03 1.48 8.679557898e+02 1.50 7.169244876e+02 1.52 5.916679757e+02 1.54 4.878395480e+02 1.56 4.018195193e+02 1.58 3.305943087e+02 1.60 2.716555591e+02 1.62 2.229159807e+02 1.64 1.826391526e+02 1.66 1.493809743e+02 1.68 1.219408389e+02 1.70 9.932091926e+01 1.72 8.069222333e+01 1.74 6.536629777e+01 1.76 5.277164304e+01 1.78 4.243405942e+01 1.80 3.396027140e+01 1.82 2.702428625e+01 1.84 2.135603285e+01 1.86 1.673190150e+01 1.88 1.296686870e+01 1.90 9.907943063e+00 1.92 7.428712100e+00 1.94 5.424806554e+00 1.96 3.810128962e+00 1.98 2.513718849e+00 2.00 1.477148014e+00 2.02 6.523572123e-01 2.04 -1.398602981e-04 2.06 -5.127468849e-01 2.08 -9.120209707e-01 2.10 -1.219697284e+00 2.12 -1.453537874e+00 2.14 -1.628034464e+00 2.16 -1.754989907e+00 2.18 -1.843998904e+00 2.20 -1.902845135e+00 2.22 -1.937829036e+00 2.24 -1.954038110e+00 2.26 -1.955569596e+00 2.28 -1.945713705e+00 2.30 -1.927104234e+00 2.32 -1.901842206e+00 2.34 -1.871597204e+00 2.36 -1.837690335e+00 2.38 -1.801162011e+00 2.40 -1.762827239e+00 2.42 -1.723320626e+00 2.44 -1.683132948e+00 2.46 -1.642640768e+00 2.48 -1.602130386e+00 2.50 -1.561817132e+00 2.52 -1.521860864e+00 2.54 -1.482378376e+00 2.56 -1.443453281e+00 2.58 -1.405143860e+00 2.60 -1.367489248e+00 2.62 -1.330514295e+00 2.64 -1.294233351e+00 2.66 -1.258653189e+00 2.68 -1.223775246e+00 2.70 -1.189597319e+00 2.72 -1.156114824e+00 2.74 -1.123321732e+00 2.76 -1.091211222e+00 2.78 -1.059776153e+00 2.80 -1.029009363e+00 2.82 -9.989038605e-01 2.84 -9.694529284e-01 2.86 -9.406501608e-01 2.88 -9.124894627e-01 2.90 -8.849650154e-01 2.92 -8.580712231e-01 2.94 -8.318026434e-01 2.96 -8.061539183e-01 2.98 -7.811197262e-01 3.00 -7.566947040e-01 3.02 -7.328734144e-01 3.04 -7.096502534e-01 3.06 -6.870193631e-01 3.08 -6.649746851e-01 3.10 -6.435098845e-01 3.12 -6.226183296e-01 3.14 -6.022932487e-01 3.16 -5.825276456e-01 3.18 -5.633140273e-01 3.20 -5.446445190e-01 3.22 -5.265110140e-01 3.24 -5.089051127e-01 3.26 -4.918177575e-01 3.28 -4.752397010e-01 3.30 -4.591618673e-01 3.32 -4.435754836e-01 3.34 -4.284715135e-01 3.36 -4.138404262e-01 3.38 -3.996721801e-01 3.40 -3.859572277e-01 3.42 -3.726858559e-01 3.44 -3.598482414e-01 3.46 -3.474343711e-01 3.48 -3.354327407e-01 3.50 -3.238318906e-01 3.52 -3.126206625e-01 3.54 -3.017881779e-01 3.56 -2.913248268e-01 3.58 -2.812213159e-01 3.60 -2.714678864e-01 3.62 -2.620548395e-01 3.64 -2.529725537e-01 3.66 -2.442114996e-01 3.68 -2.357620929e-01 3.70 -2.276133281e-01 3.72 -2.197571489e-01 3.74 -2.121861659e-01 3.76 -2.048927576e-01 3.78 -1.978691397e-01 3.80 -1.911074253e-01 3.82 -1.845996759e-01 3.84 -1.783379452e-01 3.86 -1.723143158e-01 3.88 -1.665213181e-01 3.90 -1.609509629e-01 3.92 -1.555939319e-01 3.94 -1.504413887e-01 3.96 -1.454849720e-01 3.98 -1.407167501e-01 4.00 -1.361291803e-01 4.02 -1.317150737e-01 4.04 -1.274675642e-01 4.06 -1.233800810e-01 4.08 -1.194463246e-01 4.10 -1.156602452e-01 4.12 -1.120160237e-01 4.14 -1.085080546e-01 4.16 -1.051309305e-01 4.18 -1.018794285e-01 4.20 -9.874842978e-02 4.22 -9.573304602e-02 4.24 -9.282888081e-02 4.26 -9.003161202e-02 4.28 -8.733697564e-02 4.30 -8.474076859e-02 4.32 -8.223885023e-02 4.34 -7.982714262e-02 4.36 -7.750162964e-02 4.38 -7.525835481e-02 4.40 -7.309341856e-02 4.42 -7.100297418e-02 4.44 -6.898322330e-02 4.46 -6.703041048e-02 4.48 -6.514081702e-02 4.50 -6.331075430e-02 4.52 -6.153655654e-02 4.54 -5.981457299e-02 4.56 -5.814115990e-02 4.58 -5.651267212e-02 4.60 -5.492545478e-02 4.62 -5.337583492e-02 4.64 -5.186011380e-02 4.66 -5.037455980e-02 4.68 -4.891540273e-02 4.70 -4.747882981e-02 4.72 -4.606098454e-02 4.74 -4.465796880e-02 4.76 -4.326584983e-02 4.78 -4.188067310e-02 4.80 -4.049848294e-02 4.82 -3.911535259e-02 4.84 -3.772742601e-02 4.86 -3.633097344e-02 4.88 -3.492246325e-02 4.90 -3.349865219e-02 4.92 -3.205669572e-02 4.94 -3.059427935e-02 4.96 -2.910977052e-02 4.98 -2.760238845e-02 5.00 -2.607238658e-02 5.02 -2.452123906e-02 5.04 -2.295181809e-02 5.06 -2.136854553e-02 5.08 -1.977749771e-02 5.10 -1.818644043e-02 5.12 -1.660477115e-02 5.14 -1.504334888e-02 5.16 -1.351420004e-02 5.18 -1.203010058e-02 5.20 -1.060405031e-02 5.22 -9.248671323e-03 5.24 -7.975577518e-03 5.26 -6.794771487e-03 5.28 -5.714126715e-03 5.30 -4.739005599e-03 5.32 -3.872048280e-03 5.34 -3.113146299e-03 5.36 -2.459592923e-03 5.38 -1.906382585e-03 5.40 -1.446618575e-03 5.42 -1.071982292e-03 5.44 -7.732188156e-04 5.46 -5.406005510e-04 5.48 -3.643409950e-04 5.50 -2.349418383e-04 5.52 -1.434669014e-04 5.54 -8.174459834e-05 5.56 -4.250632525e-05 5.58 -1.947143327e-05 5.60 -7.390680316e-06 5.62 -2.059778330e-06 5.64 -3.133827734e-07 5.66 -8.036608160e-09 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