# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2010--Mendelev-M-I-Rahman-M-J-Hoyt-J-J-Asta-M--fictional-Al-3 # implementation = 2010--Mendelev-M-I--fictional-Al-3--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 Al Al 0.02 4.367544468e+13 0.04 1.867544468e+13 0.06 1.034211135e+13 0.08 6.175444683e+12 0.10 4.274356606e+11 0.12 9.385300322e+03 0.14 7.260853924e+03 0.16 5.757648352e+03 0.18 4.653834662e+03 0.20 3.819573299e+03 0.22 3.174342666e+03 0.24 2.665848368e+03 0.26 2.258821805e+03 0.28 1.928715755e+03 0.30 1.657982806e+03 0.32 1.433788825e+03 0.34 1.246559325e+03 0.36 1.089027605e+03 0.38 9.555950515e+02 0.40 8.418911788e+02 0.42 7.444646919e+02 0.44 6.605624209e+02 0.46 5.879683915e+02 0.48 5.248848134e+02 0.50 4.698427931e+02 0.52 4.216344642e+02 0.54 3.792607823e+02 0.56 3.418909427e+02 0.58 3.088305346e+02 0.60 2.794963461e+02 0.62 2.533962873e+02 0.64 2.301132940e+02 0.66 2.092923558e+02 0.68 1.906300136e+02 0.70 1.738658229e+02 0.72 1.587753907e+02 0.74 1.451646759e+02 0.76 1.328653088e+02 0.78 1.217307325e+02 0.80 1.116330110e+02 0.82 1.024601757e+02 0.84 9.411400918e+01 0.86 8.650818334e+01 0.88 7.956668559e+01 0.90 7.322247945e+01 0.92 6.741635647e+01 0.94 6.209594506e+01 0.96 5.721484871e+01 0.98 5.273189182e+01 1.00 4.861045590e+01 1.02 4.481789251e+01 1.04 4.132500229e+01 1.06 3.810557158e+01 1.08 3.513596010e+01 1.10 3.239474108e+01 1.12 2.986248036e+01 1.14 2.752160307e+01 1.16 2.535620231e+01 1.18 2.335186008e+01 1.20 2.149548970e+01 1.22 1.977519699e+01 1.24 1.818015765e+01 1.26 1.670050886e+01 1.28 1.532725317e+01 1.30 1.405217315e+01 1.32 1.286775555e+01 1.34 1.176712366e+01 1.36 1.074397699e+01 1.38 9.792537352e+00 1.40 8.907500581e+00 1.42 8.083993251e+00 1.44 7.317533809e+00 1.46 6.603997628e+00 1.48 5.939585527e+00 1.50 5.320795059e+00 1.52 4.753069880e+00 1.54 4.239534609e+00 1.56 3.774055365e+00 1.58 3.351250554e+00 1.60 2.966387061e+00 1.62 2.615291968e+00 1.64 2.294277576e+00 1.66 2.000077581e+00 1.68 1.729792656e+00 1.70 1.480843961e+00 1.72 1.250933378e+00 1.74 1.038009437e+00 1.76 8.402380829e-01 1.78 6.559775815e-01 1.80 4.837569361e-01 1.82 3.222573253e-01 1.84 1.702961184e-01 1.86 2.681310059e-02 1.88 -1.091414061e-01 1.90 -2.384168008e-01 1.92 -3.617710725e-01 1.94 -4.798784872e-01 1.96 -5.933362676e-01 1.98 -7.026704263e-01 2.00 -8.083408876e-01 2.02 -9.107460212e-01 2.04 -1.010226698e+00 2.06 -1.107069964e+00 2.08 -1.201512419e+00 2.10 -1.293743375e+00 2.12 -1.383907871e+00 2.14 -1.472109590e+00 2.16 -1.558413742e+00 2.18 -1.642849945e+00 2.20 -1.725415157e+00 2.22 -1.806076659e+00 2.24 -1.884775134e+00 2.26 -1.961427836e+00 2.28 -2.035931859e+00 2.30 -2.108167499e+00 2.32 -2.178001687e+00 2.34 -2.245291492e+00 2.36 -2.309887639e+00 2.38 -2.371638028e+00 2.40 -2.430391119e+00 2.42 -2.483650722e+00 2.44 -2.529800103e+00 2.46 -2.569768189e+00 2.48 -2.604227022e+00 2.50 -2.633662355e+00 2.52 -2.658430732e+00 2.54 -2.678804719e+00 2.56 -2.695007754e+00 2.58 -2.707240021e+00 2.60 -2.715696654e+00 2.62 -2.720579473e+00 2.64 -2.722103313e+00 2.66 -2.720498086e+00 2.68 -2.716007625e+00 2.70 -2.708886125e+00 2.72 -2.699392945e+00 2.74 -2.687786388e+00 2.76 -2.674317174e+00 2.78 -2.659222249e+00 2.80 -2.642719293e+00 2.82 -2.625002272e+00 2.84 -2.606238212e+00 2.86 -2.586565493e+00 2.88 -2.566093872e+00 2.90 -2.544906176e+00 2.92 -2.523061584e+00 2.94 -2.500600346e+00 2.96 -2.477549711e+00 2.98 -2.453930734e+00 3.00 -2.429765571e+00 3.02 -2.405084731e+00 3.04 -2.379933637e+00 3.06 -2.354377913e+00 3.08 -2.328506764e+00 3.10 -2.302433525e+00 3.12 -2.276292447e+00 3.14 -2.250230712e+00 3.16 -2.224394581e+00 3.18 -2.198908476e+00 3.20 -2.173845774e+00 3.22 -2.149196537e+00 3.24 -2.124898160e+00 3.26 -2.100890512e+00 3.28 -2.077121183e+00 3.30 -2.053545097e+00 3.32 -2.030123982e+00 3.34 -2.006825931e+00 3.36 -1.983625070e+00 3.38 -1.960500936e+00 3.40 -1.937438147e+00 3.42 -1.914426013e+00 3.44 -1.891457862e+00 3.46 -1.868530964e+00 3.48 -1.845645702e+00 3.50 -1.822805551e+00 3.52 -1.800016383e+00 3.54 -1.777286287e+00 3.56 -1.754625096e+00 3.58 -1.732044077e+00 3.60 -1.709555571e+00 3.62 -1.687172747e+00 3.64 -1.664909099e+00 3.66 -1.642778595e+00 3.68 -1.620794649e+00 3.70 -1.598971038e+00 3.72 -1.577320159e+00 3.74 -1.555854469e+00 3.76 -1.534584937e+00 3.78 -1.513521455e+00 3.80 -1.492673377e+00 3.82 -1.472047456e+00 3.84 -1.451650081e+00 3.86 -1.431485907e+00 3.88 -1.411557007e+00 3.90 -1.391865325e+00 3.92 -1.372410407e+00 3.94 -1.353189239e+00 3.96 -1.334198905e+00 3.98 -1.315434493e+00 4.00 -1.296887627e+00 4.02 -1.278550535e+00 4.04 -1.260415011e+00 4.06 -1.242468245e+00 4.08 -1.224697601e+00 4.10 -1.207091411e+00 4.12 -1.189637085e+00 4.14 -1.172316623e+00 4.16 -1.155114867e+00 4.18 -1.138018238e+00 4.20 -1.121013639e+00 4.22 -1.104080566e+00 4.24 -1.087202342e+00 4.26 -1.070365963e+00 4.28 -1.053560394e+00 4.30 -1.036773900e+00 4.32 -1.019982793e+00 4.34 -1.003175559e+00 4.36 -9.863455766e-01 4.38 -9.694889261e-01 4.40 -9.526043022e-01 4.42 -9.356763938e-01 4.44 -9.186798306e-01 4.46 -9.016221554e-01 4.48 -8.845140511e-01 4.50 -8.673685863e-01 4.52 -8.502011006e-01 4.54 -8.330290795e-01 4.56 -8.156710310e-01 4.58 -7.979944800e-01 4.60 -7.801898418e-01 4.62 -7.624220287e-01 4.64 -7.448318255e-01 4.66 -7.275386314e-01 4.68 -7.106428832e-01 4.70 -6.942281773e-01 4.72 -6.783631065e-01 4.74 -6.633029759e-01 4.76 -6.490854134e-01 4.78 -6.353141258e-01 4.80 -6.216691693e-01 4.82 -6.078992922e-01 4.84 -5.938121168e-01 4.86 -5.792658893e-01 4.88 -5.641620929e-01 4.90 -5.484388521e-01 4.92 -5.320650728e-01 4.94 -5.150352535e-01 4.96 -4.973649052e-01 4.98 -4.790865236e-01 5.00 -4.602406477e-01 5.02 -4.407853098e-01 5.04 -4.208975719e-01 5.06 -4.008088862e-01 5.08 -3.807132082e-01 5.10 -3.607717446e-01 5.12 -3.411171870e-01 5.14 -3.218574778e-01 5.16 -3.030791549e-01 5.18 -2.848503136e-01 5.20 -2.672232240e-01 5.22 -2.502366393e-01 5.24 -2.339178237e-01 5.26 -2.182843318e-01 5.28 -2.033455627e-01 5.30 -1.891041149e-01 5.32 -1.755569625e-01 5.34 -1.626964735e-01 5.36 -1.505112866e-01 5.38 -1.389870644e-01 5.40 -1.281071366e-01 5.42 -1.178530473e-01 5.44 -1.082050173e-01 5.46 -9.914233294e-02 5.48 -9.064367120e-02 5.50 -8.268736900e-02 5.52 -7.525164493e-02 5.54 -6.831478010e-02 5.56 -6.185526422e-02 5.58 -5.585191228e-02 5.60 -5.028395658e-02 5.62 -4.513110725e-02 5.64 -4.037348604e-02 5.66 -3.599154918e-02 5.68 -3.196611108e-02 5.70 -2.827837028e-02 5.72 -2.490992827e-02 5.74 -2.184280297e-02 5.76 -1.905943832e-02 5.78 -1.654271116e-02 5.80 -1.427593655e-02 5.82 -1.224287235e-02 5.84 -1.042772375e-02 5.86 -8.815148291e-03 5.88 -7.390261940e-03 5.90 -6.138646315e-03 5.92 -5.046357408e-03 5.94 -4.099935837e-03 5.96 -3.286418623e-03 5.98 -2.593352423e-03 6.00 -2.008808051e-03 6.02 -1.521396066e-03 6.04 -1.120283133e-03 6.06 -7.952088118e-04 6.08 -5.365023838e-04 6.10 -3.350992651e-04 6.12 -1.825565253e-04 6.14 -7.106698586e-05 6.16 6.528665583e-06 6.18 5.673233887e-05 6.20 8.538221062e-05 6.22 9.765025616e-05 6.24 9.804432869e-05 6.26 9.041549736e-05 6.28 7.797138116e-05 6.30 6.329624039e-05 6.32 4.837861116e-05 6.34 3.464729172e-05 6.36 2.301651219e-05 6.38 1.394114169e-05 6.40 7.482809159e-06 6.42 3.387835913e-06 6.44 1.177900142e-06 6.46 2.543750680e-07 6.48 1.730435866e-08 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