# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Na # implementation = 2016--Nichol-A--Na--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 Na Na 0.02 8.260565426e+04 0.04 3.329832147e+04 0.06 1.898890508e+04 0.08 1.239932231e+04 0.10 8.853315303e+03 0.12 6.697469542e+03 0.14 5.129148510e+03 0.16 4.038133567e+03 0.18 3.244800228e+03 0.20 2.645164509e+03 0.22 2.201894988e+03 0.24 1.855195632e+03 0.26 1.562932363e+03 0.28 1.329213074e+03 0.30 1.138641897e+03 0.32 9.807469216e+02 0.34 8.550372962e+02 0.36 7.480372404e+02 0.38 6.543134523e+02 0.40 5.753626405e+02 0.42 5.079358197e+02 0.44 4.498966936e+02 0.46 4.019924673e+02 0.48 3.592376203e+02 0.50 3.211854226e+02 0.52 2.881447517e+02 0.54 2.591341832e+02 0.56 2.336545910e+02 0.58 2.120624208e+02 0.60 1.921922537e+02 0.62 1.743535008e+02 0.64 1.585330866e+02 0.66 1.443701956e+02 0.68 1.317994971e+02 0.70 1.208844744e+02 0.72 1.106532157e+02 0.74 1.014118917e+02 0.76 9.308777185e+01 0.78 8.553012596e+01 0.80 7.878818383e+01 0.82 7.279378389e+01 0.84 6.712633225e+01 0.86 6.197782838e+01 0.88 5.728715210e+01 0.90 5.298527861e+01 0.92 4.913852476e+01 0.94 4.564167318e+01 0.96 4.232886268e+01 0.98 3.930146839e+01 1.00 3.652041654e+01 1.02 3.395231180e+01 1.04 3.165181472e+01 1.06 2.951912450e+01 1.08 2.750217189e+01 1.10 2.564835301e+01 1.12 2.393461981e+01 1.14 2.234556767e+01 1.16 2.091824927e+01 1.18 1.957333132e+01 1.20 1.830579109e+01 1.22 1.713447302e+01 1.24 1.604589894e+01 1.26 1.503506061e+01 1.28 1.412265607e+01 1.30 1.325234009e+01 1.32 1.243510337e+01 1.34 1.167613769e+01 1.36 1.096746054e+01 1.38 1.031004892e+01 1.40 9.711867939e+00 1.42 9.136948763e+00 1.44 8.598566083e+00 1.46 8.096329109e+00 1.48 7.625459722e+00 1.50 7.189723282e+00 1.52 6.788046086e+00 1.54 6.399430353e+00 1.56 6.034586121e+00 1.58 5.691844558e+00 1.60 5.368552025e+00 1.62 5.069374646e+00 1.64 4.790049464e+00 1.66 4.520712831e+00 1.68 4.268124149e+00 1.70 4.030543855e+00 1.72 3.806321570e+00 1.74 3.599540328e+00 1.76 3.404426160e+00 1.78 3.217183067e+00 1.80 3.041516378e+00 1.82 2.876093664e+00 1.84 2.719988163e+00 1.86 2.576269160e+00 1.88 2.439346890e+00 1.90 2.308625691e+00 1.92 2.185834451e+00 1.94 2.070037785e+00 1.96 1.960887665e+00 1.98 1.860330394e+00 2.00 1.763778921e+00 2.02 1.672041278e+00 2.04 1.585718211e+00 2.06 1.504170294e+00 2.08 1.427491075e+00 2.10 1.356588564e+00 2.12 1.288159358e+00 2.14 1.223386270e+00 2.16 1.162316035e+00 2.18 1.104518343e+00 2.20 1.050353005e+00 2.22 9.999354556e-01 2.24 9.511803526e-01 2.26 9.051304984e-01 2.28 8.616285610e-01 2.30 8.203879826e-01 2.32 7.818766665e-01 2.34 7.457210554e-01 2.36 7.107803647e-01 2.38 6.777943795e-01 2.40 6.465796272e-01 2.42 6.169480266e-01 2.44 5.893641232e-01 2.46 5.632198010e-01 2.48 5.380134190e-01 2.50 5.142007630e-01 2.52 4.916303082e-01 2.54 4.701892900e-01 2.56 4.502715480e-01 2.58 4.312126586e-01 2.60 4.014656732e-01 2.62 2.924061678e-01 2.64 1.836275116e-01 2.66 8.038239457e-02 2.68 -1.265240695e-02 2.70 -9.251947455e-02 2.72 -1.570526660e-01 2.74 -2.089951749e-01 2.76 -2.516732719e-01 2.78 -2.877483743e-01 2.80 -3.193117767e-01 2.82 -3.487258579e-01 2.84 -3.773476154e-01 2.86 -4.055856071e-01 2.88 -4.328633712e-01 2.90 -4.589743048e-01 2.92 -4.837587596e-01 2.94 -5.074785625e-01 2.96 -5.298972043e-01 2.98 -5.509908631e-01 3.00 -5.707824557e-01 3.02 -5.891813630e-01 3.04 -6.063589445e-01 3.06 -6.227033240e-01 3.08 -6.381020439e-01 3.10 -6.526090476e-01 3.12 -6.662808024e-01 3.14 -6.790450816e-01 3.16 -6.910272200e-01 3.18 -7.023564899e-01 3.20 -7.129514788e-01 3.22 -7.228557646e-01 3.24 -7.321062219e-01 3.26 -7.406262063e-01 3.28 -7.485647846e-01 3.30 -7.559674048e-01 3.32 -7.627838727e-01 3.34 -7.690478017e-01 3.36 -7.747786176e-01 3.38 -7.799092222e-01 3.40 -7.845924734e-01 3.42 -7.888189681e-01 3.44 -7.925642393e-01 3.46 -7.958542897e-01 3.48 -7.986909046e-01 3.50 -8.010277707e-01 3.52 -8.030554550e-01 3.54 -8.047808690e-01 3.56 -8.061928824e-01 3.58 -8.073069572e-01 3.60 -8.081045963e-01 3.62 -8.085638914e-01 3.64 -8.087926599e-01 3.66 -8.087356038e-01 3.68 -8.083938012e-01 3.70 -8.077789967e-01 3.72 -8.068621238e-01 3.74 -8.056501162e-01 3.76 -8.042141638e-01 3.78 -8.025026981e-01 3.80 -8.005201405e-01 3.82 -7.982733554e-01 3.84 -7.957268095e-01 3.86 -7.929086971e-01 3.88 -7.898564787e-01 3.90 -7.865312058e-01 3.92 -7.829383547e-01 3.94 -7.790821303e-01 3.96 -7.749281573e-01 3.98 -7.705178575e-01 4.00 -7.658625133e-01 4.02 -7.609368686e-01 4.04 -7.557461942e-01 4.06 -7.502918782e-01 4.08 -7.445453400e-01 4.10 -7.385554777e-01 4.12 -7.323254268e-01 4.14 -7.258119457e-01 4.16 -7.189698382e-01 4.18 -7.118177351e-01 4.20 -7.043595126e-01 4.22 -6.966647452e-01 4.24 -6.887452726e-01 4.26 -6.806242147e-01 4.28 -6.723359237e-01 4.30 -6.639053702e-01 4.32 -6.553554953e-01 4.34 -6.467557244e-01 4.36 -6.381214366e-01 4.38 -6.294865586e-01 4.40 -6.208894765e-01 4.42 -6.123559123e-01 4.44 -6.039219098e-01 4.46 -5.957823350e-01 4.48 -5.879672689e-01 4.50 -5.803423368e-01 4.52 -5.727759890e-01 4.54 -5.651275918e-01 4.56 -5.572787183e-01 4.58 -5.491101565e-01 4.60 -5.404788860e-01 4.62 -5.312633817e-01 4.64 -5.213513512e-01 4.66 -5.106330706e-01 4.68 -4.990269430e-01 4.70 -4.864569236e-01 4.72 -4.728533684e-01 4.74 -4.581670330e-01 4.76 -4.423627389e-01 4.78 -4.253284596e-01 4.80 -4.071243134e-01 4.82 -3.879760313e-01 4.84 -3.680976574e-01 4.86 -3.476910801e-01 4.88 -3.269444341e-01 4.90 -3.060333225e-01 4.92 -2.851141707e-01 4.94 -2.643321200e-01 4.96 -2.438269341e-01 4.98 -2.237387870e-01 5.00 -2.041963983e-01 5.02 -1.853154803e-01 5.04 -1.671914469e-01 5.06 -1.499150929e-01 5.08 -1.335631503e-01 5.10 -1.182009912e-01 5.12 -1.038861018e-01 5.14 -9.066624567e-02 5.16 -7.857649810e-02 5.18 -6.761000834e-02 5.20 -5.771925802e-02 5.22 -4.885449685e-02 5.24 -4.096689278e-02 5.26 -3.400123717e-02 5.28 -2.789335098e-02 5.30 -2.258117304e-02 5.32 -1.800328005e-02 5.34 -1.409999948e-02 5.36 -1.081363319e-02 5.38 -8.087402256e-03 5.40 -5.866268344e-03 5.42 -4.096635882e-03 5.44 -2.725737829e-03 5.46 -1.701682934e-03 5.48 -9.732760678e-04 5.50 -4.897432018e-04 5.52 -2.007337364e-04 5.54 -5.610929960e-05 5.56 -5.848294978e-06 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