# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Zope-R-R-Mishin-Y--Al # implementation = 2003--Zope-R-R--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 3.418980459e+01 0.04 3.328509922e+01 0.06 3.239712815e+01 0.08 3.152572347e+01 0.10 3.067071730e+01 0.12 2.983194173e+01 0.14 2.900922887e+01 0.16 2.820241084e+01 0.18 2.741131973e+01 0.20 2.663578768e+01 0.22 2.587564680e+01 0.24 2.513072920e+01 0.26 2.440086702e+01 0.28 2.368589239e+01 0.30 2.298563742e+01 0.32 2.229993426e+01 0.34 2.162861504e+01 0.36 2.097151190e+01 0.38 2.032845697e+01 0.40 1.969928241e+01 0.42 1.908382035e+01 0.44 1.848190295e+01 0.46 1.789336235e+01 0.48 1.731803071e+01 0.50 1.675574018e+01 0.52 1.620632292e+01 0.54 1.566961108e+01 0.56 1.514543684e+01 0.58 1.463363236e+01 0.60 1.413402979e+01 0.62 1.364646132e+01 0.64 1.317075911e+01 0.66 1.270675533e+01 0.68 1.225428216e+01 0.70 1.181317178e+01 0.72 1.138325637e+01 0.74 1.096436810e+01 0.76 1.055633916e+01 0.78 1.015900174e+01 0.80 9.772188033e+00 0.82 9.395730218e+00 0.84 9.029460493e+00 0.86 8.673211052e+00 0.88 8.326814092e+00 0.90 7.990101814e+00 0.92 7.662906418e+00 0.94 7.345060108e+00 0.96 7.036395092e+00 0.98 6.736743576e+00 1.00 6.445937773e+00 1.02 6.163809896e+00 1.04 5.890192161e+00 1.06 5.624916788e+00 1.08 5.367815996e+00 1.10 5.118722012e+00 1.12 4.877467060e+00 1.14 4.643883372e+00 1.16 4.417803179e+00 1.18 4.199058717e+00 1.20 3.987482225e+00 1.22 3.782905944e+00 1.24 3.585162120e+00 1.26 3.394083001e+00 1.28 3.209500839e+00 1.30 3.031247889e+00 1.32 2.859156412e+00 1.34 2.693058669e+00 1.36 2.532786929e+00 1.38 2.378173463e+00 1.40 2.229050545e+00 1.42 2.085250457e+00 1.44 1.946605482e+00 1.46 1.812947909e+00 1.48 1.684110033e+00 1.50 1.559924153e+00 1.52 1.440222884e+00 1.54 1.324842932e+00 1.56 1.213627862e+00 1.58 1.106427588e+00 1.60 1.003098004e+00 1.62 9.035006287e-01 1.64 8.075023049e-01 1.66 7.149749111e-01 1.68 6.257951162e-01 1.70 5.398441586e-01 1.72 4.570076519e-01 1.74 3.771754131e-01 1.76 3.002413230e-01 1.78 2.261031969e-01 1.80 1.546626828e-01 1.82 8.582517184e-02 1.84 1.949972465e-02 1.86 -4.440098871e-02 1.88 -1.059607404e-01 1.90 -1.652597940e-01 1.92 -2.223749367e-01 1.94 -2.773795228e-01 1.96 -3.303435060e-01 1.98 -3.813334793e-01 2.00 -4.304127178e-01 2.02 -4.776412266e-01 2.04 -5.230757964e-01 2.06 -5.667700661e-01 2.08 -6.087745968e-01 2.10 -6.491369542e-01 2.12 -6.879018027e-01 2.14 -7.251110125e-01 2.16 -7.608037758e-01 2.18 -7.950167344e-01 2.20 -8.277841187e-01 2.22 -8.591378931e-01 2.24 -8.891079145e-01 2.26 -9.177220971e-01 2.28 -9.450065838e-01 2.30 -9.709859221e-01 2.32 -9.956832428e-01 2.34 -1.019120441e+00 2.36 -1.041318362e+00 2.38 -1.062296977e+00 2.40 -1.082075569e+00 2.42 -1.100672899e+00 2.44 -1.118107378e+00 2.46 -1.134397227e+00 2.48 -1.149560627e+00 2.50 -1.163615870e+00 2.52 -1.176581478e+00 2.54 -1.188476330e+00 2.56 -1.199319768e+00 2.58 -1.209131691e+00 2.60 -1.217932636e+00 2.62 -1.225743842e+00 2.64 -1.232587301e+00 2.66 -1.238485801e+00 2.68 -1.243462950e+00 2.70 -1.247543178e+00 2.72 -1.250751743e+00 2.74 -1.253114714e+00 2.76 -1.254658943e+00 2.78 -1.255412024e+00 2.80 -1.255402245e+00 2.82 -1.254658534e+00 2.84 -1.253210387e+00 2.86 -1.251087791e+00 2.88 -1.248321146e+00 2.90 -1.244941181e+00 2.92 -1.240978858e+00 2.94 -1.236465272e+00 2.96 -1.231431564e+00 2.98 -1.225908816e+00 3.00 -1.219927948e+00 3.02 -1.213519622e+00 3.04 -1.206714146e+00 3.06 -1.199541375e+00 3.08 -1.192030609e+00 3.10 -1.184210517e+00 3.12 -1.176109046e+00 3.14 -1.167753328e+00 3.16 -1.159169617e+00 3.18 -1.150383219e+00 3.20 -1.141418410e+00 3.22 -1.132298391e+00 3.24 -1.123045242e+00 3.26 -1.113679853e+00 3.28 -1.104221902e+00 3.30 -1.094689831e+00 3.32 -1.085100790e+00 3.34 -1.075470648e+00 3.36 -1.065813976e+00 3.38 -1.056144024e+00 3.40 -1.046472741e+00 3.42 -1.036810788e+00 3.44 -1.027167522e+00 3.46 -1.017551050e+00 3.48 -1.007968242e+00 3.50 -9.984247438e-01 3.52 -9.889250503e-01 3.54 -9.794725141e-01 3.56 -9.700693935e-01 3.58 -9.607169349e-01 3.60 -9.514153744e-01 3.62 -9.421640297e-01 3.64 -9.329613646e-01 3.66 -9.238050017e-01 3.68 -9.146918475e-01 3.70 -9.056181216e-01 3.72 -8.965794105e-01 3.74 -8.875707937e-01 3.76 -8.785868363e-01 3.78 -8.696217070e-01 3.80 -8.606692560e-01 3.82 -8.517230135e-01 3.84 -8.427763490e-01 3.86 -8.338224743e-01 3.88 -8.248545047e-01 3.90 -8.158655978e-01 3.92 -8.068489011e-01 3.94 -7.977976989e-01 3.96 -7.887054633e-01 3.98 -7.795658183e-01 4.00 -7.703727294e-01 4.02 -7.611204415e-01 4.04 -7.518035378e-01 4.06 -7.424170843e-01 4.08 -7.329564948e-01 4.10 -7.234177008e-01 4.12 -7.137971811e-01 4.14 -7.040918400e-01 4.16 -6.942992362e-01 4.18 -6.844174783e-01 4.20 -6.744451862e-01 4.22 -6.643817109e-01 4.24 -6.542269184e-01 4.26 -6.439812572e-01 4.28 -6.336459296e-01 4.30 -6.232225967e-01 4.32 -6.127135355e-01 4.34 -6.021217644e-01 4.36 -5.914506861e-01 4.38 -5.807043049e-01 4.40 -5.698873359e-01 4.42 -5.590047901e-01 4.44 -5.480622016e-01 4.46 -5.370657851e-01 4.48 -5.260219718e-01 4.50 -5.149375545e-01 4.52 -5.038199620e-01 4.54 -4.926768426e-01 4.56 -4.815159383e-01 4.58 -4.703455075e-01 4.60 -4.591741866e-01 4.62 -4.480103774e-01 4.64 -4.368627507e-01 4.66 -4.257404364e-01 4.68 -4.146524890e-01 4.70 -4.036076806e-01 4.72 -3.926150211e-01 4.74 -3.816838928e-01 4.76 -3.708232108e-01 4.78 -3.600413951e-01 4.80 -3.493470688e-01 4.82 -3.387491199e-01 4.84 -3.282561073e-01 4.86 -3.178759983e-01 4.88 -3.076166373e-01 4.90 -2.974859344e-01 4.92 -2.874920812e-01 4.94 -2.776416986e-01 4.96 -2.679402101e-01 4.98 -2.583934204e-01 5.00 -2.490073284e-01 5.02 -2.397878288e-01 5.04 -2.307402992e-01 5.06 -2.218704707e-01 5.08 -2.131841548e-01 5.10 -2.046849257e-01 5.12 -1.963774568e-01 5.14 -1.882671282e-01 5.16 -1.803579389e-01 5.18 -1.726484207e-01 5.20 -1.651361608e-01 5.22 -1.578197391e-01 5.24 -1.507001484e-01 5.26 -1.437777960e-01 5.28 -1.370527093e-01 5.30 -1.305252340e-01 5.32 -1.241962481e-01 5.34 -1.180672815e-01 5.36 -1.121396262e-01 5.38 -1.064143099e-01 5.40 -1.008920502e-01 5.42 -9.557313369e-02 5.44 -9.045744297e-02 5.46 -8.554459620e-02 5.48 -8.083379867e-02 5.50 -7.632383403e-02 5.52 -7.201306283e-02 5.54 -6.789958347e-02 5.56 -6.398210817e-02 5.58 -6.025723891e-02 5.60 -5.672096067e-02 5.62 -5.336909326e-02 5.64 -5.019728126e-02 5.66 -4.720099009e-02 5.68 -4.437550699e-02 5.70 -4.171594702e-02 5.72 -3.921726243e-02 5.74 -3.686852505e-02 5.76 -3.465673016e-02 5.78 -3.258250907e-02 5.80 -3.064514506e-02 5.82 -2.884248466e-02 5.84 -2.717122531e-02 5.86 -2.562716300e-02 5.88 -2.420540438e-02 5.90 -2.290054722e-02 5.92 -2.170683319e-02 5.94 -2.061827622e-02 5.96 -1.962876948e-02 5.98 -1.873217384e-02 6.00 -1.792239031e-02 6.02 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