# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Choudhary-K-Liang-T-Chernatynskiy-A-et-al--Al # implementation = 2015--Choudhary-K--Al--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 2.202630374e+02 0.04 2.105584663e+02 0.06 2.012573872e+02 0.08 1.923436113e+02 0.10 1.838015840e+02 0.12 1.756163607e+02 0.14 1.677735829e+02 0.16 1.602594559e+02 0.18 1.530607269e+02 0.20 1.461646643e+02 0.22 1.395590373e+02 0.24 1.332320965e+02 0.26 1.271725557e+02 0.28 1.213695735e+02 0.30 1.158127365e+02 0.32 1.104920423e+02 0.34 1.053978839e+02 0.36 1.005210343e+02 0.38 9.585263169e+01 0.40 9.138416528e+01 0.42 8.710746172e+01 0.44 8.301467199e+01 0.46 7.909825875e+01 0.48 7.535098422e+01 0.50 7.176589855e+01 0.52 6.833632858e+01 0.54 6.505586706e+01 0.56 6.191836231e+01 0.58 5.891790819e+01 0.60 5.604883457e+01 0.62 5.330569808e+01 0.64 5.068327325e+01 0.66 4.817654400e+01 0.68 4.578069540e+01 0.70 4.349110586e+01 0.72 4.130333949e+01 0.74 3.921313885e+01 0.76 3.721641793e+01 0.78 3.530925544e+01 0.80 3.348788830e+01 0.82 3.174870545e+01 0.84 3.008824183e+01 0.86 2.850317269e+01 0.88 2.699030798e+01 0.90 2.554658710e+01 0.92 2.416907377e+01 0.94 2.285495110e+01 0.96 2.160151689e+01 0.98 2.040617909e+01 1.00 1.926645144e+01 1.02 1.817994924e+01 1.04 1.714438539e+01 1.06 1.615756646e+01 1.08 1.521738899e+01 1.10 1.432183590e+01 1.12 1.346897307e+01 1.14 1.265694602e+01 1.16 1.188397675e+01 1.18 1.114836066e+01 1.20 1.044846365e+01 1.22 9.782719280e+00 1.24 9.149626084e+00 1.26 8.547744941e+00 1.28 7.975696591e+00 1.30 7.432159230e+00 1.32 6.915866204e+00 1.34 6.425603785e+00 1.36 5.960209050e+00 1.38 5.518567824e+00 1.40 5.099612721e+00 1.42 4.702321251e+00 1.44 4.325714007e+00 1.46 3.968852920e+00 1.48 3.630839586e+00 1.50 3.310813656e+00 1.52 3.007951294e+00 1.54 2.721463688e+00 1.56 2.450595628e+00 1.58 2.194624136e+00 1.60 1.952857152e+00 1.62 1.724632270e+00 1.64 1.509315526e+00 1.66 1.306300233e+00 1.68 1.115005863e+00 1.70 9.348769755e-01 1.72 7.653821812e-01 1.74 6.060131566e-01 1.76 4.562836913e-01 1.78 3.157287760e-01 1.80 1.839037260e-01 1.82 6.038334028e-02 1.84 -5.523890640e-02 1.86 -1.633516384e-01 1.88 -2.643263233e-01 1.90 -3.585179867e-01 1.92 -4.462658972e-01 1.94 -5.278942247e-01 1.96 -6.037126720e-01 1.98 -6.740170810e-01 2.00 -7.390900142e-01 2.02 -7.992013131e-01 2.04 -8.546086335e-01 2.06 -9.055579600e-01 2.08 -9.522840989e-01 2.10 -9.950111513e-01 2.12 -1.033952967e+00 2.14 -1.069313581e+00 2.16 -1.101287630e+00 2.18 -1.130060754e+00 2.20 -1.155809979e+00 2.22 -1.178704090e+00 2.24 -1.198903979e+00 2.26 -1.216562991e+00 2.28 -1.231827241e+00 2.30 -1.244835934e+00 2.32 -1.255721659e+00 2.34 -1.264610677e+00 2.36 -1.271623199e+00 2.38 -1.276873643e+00 2.40 -1.280470896e+00 2.42 -1.282518548e+00 2.44 -1.283115128e+00 2.46 -1.282354327e+00 2.48 -1.280325210e+00 2.50 -1.277112422e+00 2.52 -1.272796383e+00 2.54 -1.267453475e+00 2.56 -1.261156225e+00 2.58 -1.253973473e+00 2.60 -1.245970543e+00 2.62 -1.237209394e+00 2.64 -1.227748779e+00 2.66 -1.217644384e+00 2.68 -1.206948972e+00 2.70 -1.195712513e+00 2.72 -1.183982312e+00 2.74 -1.171803133e+00 2.76 -1.159217314e+00 2.78 -1.146264880e+00 2.80 -1.132983650e+00 2.82 -1.119409337e+00 2.84 -1.105575652e+00 2.86 -1.091514394e+00 2.88 -1.077255537e+00 2.90 -1.062827325e+00 2.92 -1.048256344e+00 2.94 -1.033567609e+00 2.96 -1.018784633e+00 2.98 -1.003929506e+00 3.00 -9.890229560e-01 3.02 -9.740844212e-01 3.04 -9.591321100e-01 3.06 -9.441830620e-01 3.08 -9.292532055e-01 3.10 -9.143574126e-01 3.12 -8.995095518e-01 3.14 -8.847225381e-01 3.16 -8.700083815e-01 3.18 -8.553782323e-01 3.20 -8.408424253e-01 3.22 -8.264105215e-01 3.24 -8.120913483e-01 3.26 -7.978930374e-01 3.28 -7.838230613e-01 3.30 -7.698882684e-01 3.32 -7.560949155e-01 3.34 -7.424487005e-01 3.36 -7.289547914e-01 3.38 -7.156178563e-01 3.40 -7.024420900e-01 3.42 -6.818983774e-01 3.44 -6.473415546e-01 3.46 -6.005187500e-01 3.48 -5.436521067e-01 3.50 -4.793232824e-01 3.52 -4.103465363e-01 3.54 -3.396364680e-01 3.56 -2.700764686e-01 3.58 -2.043936636e-01 3.60 -1.450456079e-01 3.62 -9.412325556e-02 3.64 -5.327382614e-02 3.66 -2.364616030e-02 3.68 -5.860061327e-03 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 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