# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = 2002--Albe-K--Ga-As--LAMMPS--ipr1 # composition = AsGa3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 3.887312794e+03 nan nan 0.74 3.499183820e+03 nan nan 0.76 3.162292989e+03 nan nan 0.78 2.861615593e+03 3.969781622e+03 nan 0.80 2.597468127e+03 3.617906714e+03 nan 0.82 2.354945342e+03 3.309155704e+03 3.678132057e+03 0.84 2.137932405e+03 3.025685118e+03 3.339196019e+03 0.86 1.948653817e+03 2.765437878e+03 3.039944988e+03 0.88 1.776556604e+03 2.518727697e+03 2.774987792e+03 0.90 1.621505485e+03 2.289682110e+03 2.541642296e+03 0.92 1.484616508e+03 2.085589898e+03 2.339580637e+03 0.94 1.352798920e+03 1.909901225e+03 2.159184641e+03 0.96 1.230626432e+03 1.765312654e+03 1.992144189e+03 0.98 1.124471964e+03 1.639290060e+03 1.841464233e+03 1.00 1.035477769e+03 1.514990010e+03 1.702949907e+03 1.02 9.551911557e+02 1.392127267e+03 1.572914164e+03 1.04 8.802743834e+02 1.276794367e+03 1.454012327e+03 1.06 8.100519279e+02 1.172103378e+03 1.346168773e+03 1.08 7.475833926e+02 1.082602397e+03 1.247170119e+03 1.10 6.896205123e+02 1.009917197e+03 1.157769066e+03 1.12 6.324768086e+02 9.445270119e+02 1.070469202e+03 1.14 5.775373928e+02 8.780863329e+02 9.828500148e+02 1.16 5.250027292e+02 8.102022800e+02 8.991830354e+02 1.18 4.769312738e+02 7.415714181e+02 8.218959206e+02 1.20 4.357197598e+02 6.753211254e+02 7.507702677e+02 1.22 4.022522259e+02 6.134639188e+02 6.889565284e+02 1.24 3.751684621e+02 5.568179822e+02 6.396110312e+02 1.26 3.497257865e+02 5.067639061e+02 6.015894057e+02 1.28 3.243819206e+02 4.659224860e+02 5.653891127e+02 1.30 2.974175617e+02 4.331407527e+02 5.297341772e+02 1.32 2.700951689e+02 4.065825825e+02 4.932518085e+02 1.34 2.433524242e+02 3.829403155e+02 4.561414028e+02 1.36 2.179542219e+02 3.611218887e+02 4.199721272e+02 1.38 1.950907649e+02 3.406035398e+02 3.860436613e+02 1.40 1.756076515e+02 3.212937501e+02 3.549602933e+02 1.42 1.595025295e+02 3.028126770e+02 3.257837606e+02 1.44 1.470203459e+02 2.849247859e+02 2.989742173e+02 1.46 1.366809742e+02 2.676820602e+02 2.757323569e+02 1.48 1.269071101e+02 2.500558199e+02 2.567687795e+02 1.50 1.178435143e+02 2.315944125e+02 2.401845423e+02 1.52 1.088316861e+02 2.130512755e+02 2.251914406e+02 1.54 9.978812805e+01 1.937969820e+02 2.119016388e+02 1.56 9.107472672e+01 1.742217160e+02 2.001486300e+02 1.58 8.280659008e+01 1.549576941e+02 1.891616643e+02 1.60 7.529017040e+01 1.367511804e+02 1.787871797e+02 1.62 6.861030688e+01 1.202506846e+02 1.689551782e+02 1.64 6.229724180e+01 1.054838504e+02 1.589129718e+02 1.66 5.641229262e+01 9.254452598e+01 1.485006692e+02 1.68 5.060986587e+01 8.146902279e+01 1.380094949e+02 1.70 4.479583397e+01 7.271026392e+01 1.267496423e+02 1.72 3.915341932e+01 6.658268317e+01 1.148912641e+02 1.74 3.386443478e+01 6.186345438e+01 1.029733815e+02 1.76 2.910143867e+01 5.695504652e+01 9.143982584e+01 1.78 2.501528029e+01 5.200753406e+01 8.063891341e+01 1.80 2.171747402e+01 4.721284116e+01 7.075799892e+01 1.82 1.925498265e+01 4.274121996e+01 6.157492890e+01 1.84 1.753065118e+01 3.872051900e+01 5.333913672e+01 1.86 1.600054245e+01 3.522692408e+01 4.637381951e+01 1.88 1.453732009e+01 3.228606947e+01 4.094064028e+01 1.90 1.314495319e+01 2.987942904e+01 3.717899895e+01 1.92 1.183112189e+01 2.776440734e+01 3.466951785e+01 1.94 1.060288572e+01 2.577711637e+01 3.235117566e+01 1.96 9.465864894e+00 2.391024601e+01 3.016537856e+01 1.98 8.423438903e+00 2.212696240e+01 2.810500724e+01 2.00 7.475919127e+00 2.040403902e+01 2.607742020e+01 2.02 6.619658990e+00 1.875161242e+01 2.401685378e+01 2.04 5.846264842e+00 1.717989269e+01 2.196110031e+01 2.06 5.142882090e+00 1.569847042e+01 1.995274773e+01 2.08 4.495561705e+00 1.431562083e+01 1.803363168e+01 2.10 3.895404004e+00 1.303754759e+01 1.624016216e+01 2.12 3.338934516e+00 1.186749628e+01 1.460006551e+01 2.14 2.823443163e+00 1.080462440e+01 1.313074766e+01 2.16 2.346376531e+00 9.842531238e+00 1.183914157e+01 2.18 1.905329156e+00 8.968009550e+00 1.072264486e+01 2.20 1.498035279e+00 8.162914685e+00 9.763210113e+00 2.22 1.122361049e+00 7.412043431e+00 8.879979156e+00 2.24 7.762971554e-01 6.708859299e+00 8.051910563e+00 2.26 4.579518557e-01 6.050615731e+00 7.275933279e+00 2.28 1.655443885e-01 5.434769226e+00 6.540345788e+00 2.30 -1.191300801e-01 4.858912778e+00 5.831120429e+00 2.32 -4.379547822e-01 4.320768752e+00 5.151288185e+00 2.34 -7.739283934e-01 3.818182112e+00 4.504259788e+00 2.36 -1.104119578e+00 3.349114011e+00 3.893348570e+00 2.38 -1.406962117e+00 2.911635706e+00 3.321533499e+00 2.40 -1.665608874e+00 2.503922784e+00 2.791212835e+00 2.42 -1.870305501e+00 2.124249688e+00 2.303944383e+00 2.44 -2.019339222e+00 1.761086426e+00 1.860179332e+00 2.46 -2.118392631e+00 1.393373253e+00 1.459018280e+00 2.48 -2.178475318e+00 1.027612510e+00 1.098059404e+00 2.50 -2.212946667e+00 6.722821808e-01 7.734703115e-01 2.52 -2.234382247e+00 3.325164976e-01 4.804506444e-01 2.54 -2.251445880e+00 -8.267589844e-03 2.141344785e-01 2.56 -2.263478255e+00 -3.449693821e-01 -3.001071071e-02 2.58 -2.270182569e+00 -6.687608592e-01 -2.557459884e-01 2.60 -2.271989564e+00 -9.733306539e-01 -4.642501628e-01 2.62 -2.267905614e+00 -1.254760255e+00 -6.565321950e-01 2.64 -2.254707184e+00 -1.511085521e+00 -8.335474619e-01 2.66 -2.228782236e+00 -1.741677058e+00 -9.962004686e-01 2.68 -2.186727961e+00 -1.946595459e+00 -1.145347428e+00 2.70 -2.125810906e+00 -2.127821753e+00 -1.281798715e+00 2.72 -2.044372227e+00 -2.288444160e+00 -1.406321191e+00 2.74 -1.942151161e+00 -2.426909021e+00 -1.519640430e+00 2.76 -1.820503685e+00 -2.541933505e+00 -1.622442816e+00 2.78 -1.682495931e+00 -2.632691279e+00 -1.715377549e+00 2.80 -1.532853619e+00 -2.698847061e+00 -1.799058548e+00 2.82 -1.372013617e+00 -2.737769385e+00 -1.886201145e+00 2.84 -1.199770785e+00 -2.744661615e+00 -1.983840452e+00 2.86 -1.022409705e+00 -2.718552927e+00 -2.082674115e+00 2.88 -8.477136938e-01 -2.669413384e+00 -2.172609959e+00 2.90 -6.842820871e-01 -2.602639376e+00 -2.244145773e+00 2.92 -5.406273431e-01 -2.513760105e+00 -2.293904053e+00 2.94 -4.241961079e-01 -2.397552189e+00 -2.315043012e+00 2.96 -3.375046909e-01 -2.253827968e+00 -2.296845436e+00 2.98 -2.589078213e-01 -2.084802980e+00 -2.233345416e+00 3.00 -1.860473001e-01 -1.895264162e+00 -2.124185487e+00 3.02 -1.220912481e-01 -1.692365997e+00 -1.974744627e+00 3.04 -6.977402922e-02 -1.485075917e+00 -1.795505206e+00 3.06 -3.121616576e-02 -1.283344532e+00 -1.600721620e+00 3.08 -7.783221678e-03 -1.097121434e+00 -1.406559031e+00 3.10 0.000000000e+00 -9.353627835e-01 -1.228970275e+00 3.12 0.000000000e+00 -7.885264074e-01 -1.059794043e+00 3.14 0.000000000e+00 -6.444898594e-01 -8.847695754e-01 3.16 0.000000000e+00 -5.071474596e-01 -7.099190545e-01 3.18 0.000000000e+00 -3.803572870e-01 -5.418382985e-01 3.20 0.000000000e+00 -2.677279460e-01 -3.872689159e-01 3.22 0.000000000e+00 -1.723983727e-01 -2.525984271e-01 3.24 0.000000000e+00 -9.683094093e-02 -1.433302058e-01 3.26 0.000000000e+00 -4.264031671e-02 -6.358353393e-02 3.28 0.000000000e+00 -1.047955390e-02 -1.569620063e-02 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 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0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 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0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 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