# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Fraile-A-Cuesta-Lopez-S-Caro-A-et-al--Pb-Li # implementation = 2014--Fraile-A--Pb-Li--LAMMPS--ipr1 # composition = LiPb3 # 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 2025-12-17 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 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 4.422731376e+02 nan nan 1.02 4.058945513e+02 nan nan 1.04 3.729532279e+02 nan nan 1.06 3.428813922e+02 nan nan 1.08 3.154072905e+02 nan nan 1.10 2.902889568e+02 4.278566185e+02 nan 1.12 2.671320167e+02 3.953221064e+02 4.463842057e+02 1.14 2.457372259e+02 3.651126153e+02 4.128169331e+02 1.16 2.263320672e+02 3.372921950e+02 3.822514781e+02 1.18 2.087862945e+02 3.113616319e+02 3.546168770e+02 1.20 1.926030063e+02 2.870909295e+02 3.290283479e+02 1.22 1.777121539e+02 2.662984436e+02 3.056220946e+02 1.24 1.637178648e+02 2.470770748e+02 2.839001214e+02 1.26 1.505165584e+02 2.292462748e+02 2.637530541e+02 1.28 1.383489904e+02 2.129189706e+02 2.447497055e+02 1.30 1.276705240e+02 1.977417934e+02 2.266338884e+02 1.32 1.174764111e+02 1.836602724e+02 2.093333119e+02 1.34 1.084111918e+02 1.706286394e+02 1.942885454e+02 1.36 1.004246338e+02 1.583239899e+02 1.810880022e+02 1.38 9.290111047e+01 1.466841677e+02 1.685114389e+02 1.40 8.597252462e+01 1.356287512e+02 1.569524162e+02 1.42 7.962303380e+01 1.259254864e+02 1.463124311e+02 1.44 7.370519275e+01 1.172913433e+02 1.363268381e+02 1.46 6.820492472e+01 1.090995534e+02 1.271030776e+02 1.48 6.310649734e+01 1.014738803e+02 1.184610464e+02 1.50 5.836037142e+01 9.444350027e+01 1.104293274e+02 1.52 5.400946925e+01 8.789741557e+01 1.029199714e+02 1.54 4.997051673e+01 8.183466399e+01 9.596520782e+01 1.56 4.619623511e+01 7.615163110e+01 8.937303120e+01 1.58 4.269753719e+01 7.086286835e+01 8.319018532e+01 1.60 3.947940493e+01 6.594359130e+01 7.731011213e+01 1.62 3.648615455e+01 6.137988762e+01 7.179350549e+01 1.64 3.369023900e+01 5.714997174e+01 6.690380999e+01 1.66 3.109493539e+01 5.324020056e+01 6.243884017e+01 1.68 2.868515089e+01 4.958449327e+01 5.818937402e+01 1.70 2.646010738e+01 4.614865684e+01 5.422101476e+01 1.72 2.444411458e+01 4.294749239e+01 5.056066535e+01 1.74 2.253406742e+01 3.998720963e+01 4.715399105e+01 1.76 2.076654418e+01 3.719926058e+01 4.401119055e+01 1.78 1.910733293e+01 3.459825866e+01 4.100320218e+01 1.80 1.755997611e+01 3.217747320e+01 3.818554796e+01 1.82 1.613413790e+01 2.993788384e+01 3.556945512e+01 1.84 1.480923960e+01 2.784514565e+01 3.311693803e+01 1.86 1.359583237e+01 2.588829992e+01 3.081760707e+01 1.88 1.245813620e+01 2.400519494e+01 2.866696581e+01 1.90 1.140536682e+01 2.220994963e+01 2.667815618e+01 1.92 1.041968430e+01 2.047449749e+01 2.481022917e+01 1.94 9.496984528e+00 1.881947251e+01 2.305441235e+01 1.96 8.594956680e+00 1.717798457e+01 2.140979774e+01 1.98 7.668947528e+00 1.561782721e+01 1.987491174e+01 2.00 6.709877286e+00 1.428101163e+01 1.847638559e+01 2.02 5.683638560e+00 1.319026665e+01 1.713766742e+01 2.04 4.636380183e+00 1.219120719e+01 1.588725937e+01 2.06 3.806330898e+00 1.120304077e+01 1.471909100e+01 2.08 3.373899936e+00 1.028528465e+01 1.363404631e+01 2.10 3.081806356e+00 9.480679189e+00 1.264487559e+01 2.12 2.685403002e+00 8.734786883e+00 1.172155893e+01 2.14 2.290332682e+00 8.008369174e+00 1.083897937e+01 2.16 1.970916993e+00 7.323479547e+00 1.000914784e+01 2.18 1.709037764e+00 6.672985561e+00 9.213156655e+00 2.20 1.462414411e+00 6.039565121e+00 8.424925283e+00 2.22 1.221291932e+00 5.390972712e+00 7.595859405e+00 2.24 1.010653310e+00 4.760197349e+00 6.753381405e+00 2.26 8.086788902e-01 4.058563128e+00 5.832071063e+00 2.28 6.230225755e-01 3.353388384e+00 4.895453612e+00 2.30 4.605013059e-01 2.741744289e+00 4.092034559e+00 2.32 3.060929180e-01 2.392687043e+00 3.680687536e+00 2.34 1.516023715e-01 2.148006688e+00 3.398065002e+00 2.36 6.690857165e-03 1.893546362e+00 3.091154870e+00 2.38 -1.309980759e-01 1.609193704e+00 2.754045711e+00 2.40 -2.787784078e-01 1.345184647e+00 2.431672858e+00 2.42 -4.008648953e-01 1.134898330e+00 2.153955223e+00 2.44 -5.137490343e-01 9.601963313e-01 1.899025560e+00 2.46 -6.159301876e-01 7.829376338e-01 1.641701109e+00 2.48 -7.081074487e-01 5.951128484e-01 1.384183043e+00 2.50 -7.910480591e-01 4.233317538e-01 1.142297834e+00 2.52 -8.648014076e-01 2.667173261e-01 9.243829104e-01 2.54 -9.298263255e-01 1.032182703e-01 7.232237104e-01 2.56 -9.879883673e-01 -5.269990454e-02 5.355974718e-01 2.58 -1.107619194e+00 -2.015901411e-01 3.689587870e-01 2.60 -1.214311403e+00 -3.412160240e-01 2.050217333e-01 2.62 -1.309075118e+00 -4.687411279e-01 5.258038266e-02 2.64 -1.392885797e+00 -5.850169589e-01 -8.887071070e-02 2.66 -1.466816095e+00 -6.909732620e-01 -2.211781132e-01 2.68 -1.530188077e+00 -7.972087242e-01 -3.591085901e-01 2.70 -1.582621502e+00 -8.790013820e-01 -4.660734949e-01 2.72 -1.631033822e+00 -9.505080471e-01 -5.651081064e-01 2.74 -1.672905887e+00 -1.008529497e+00 -6.567430577e-01 2.76 -1.709313476e+00 -1.066633841e+00 -7.415969564e-01 2.78 -1.740572944e+00 -1.118168185e+00 -8.202085457e-01 2.80 -1.767322466e+00 -1.205669540e+00 -8.922533121e-01 2.82 -1.785199673e+00 -1.301243997e+00 -9.427642793e-01 2.84 -1.807265228e+00 -1.390320755e+00 -1.001418761e+00 2.86 -1.826445415e+00 -1.469205667e+00 -1.063480525e+00 2.88 -1.841858477e+00 -1.538697500e+00 -1.157508291e+00 2.90 -1.853602496e+00 -1.599368432e+00 -1.272932912e+00 2.92 -1.861830713e+00 -1.651817799e+00 -1.386949285e+00 2.94 -1.867105427e+00 -1.696398509e+00 -1.483548554e+00 2.96 -1.869727726e+00 -1.733432039e+00 -1.570982794e+00 2.98 -1.869602345e+00 -1.763533243e+00 -1.648952946e+00 3.00 -1.866834018e+00 -1.787334576e+00 -1.717813284e+00 3.02 -1.862266260e+00 -1.805123234e+00 -1.778525694e+00 3.04 -1.855593217e+00 -1.817615694e+00 -1.831016166e+00 3.06 -1.847155934e+00 -1.825144408e+00 -1.876078346e+00 3.08 -1.837236732e+00 -1.828139105e+00 -1.913986584e+00 3.10 -1.825581095e+00 -1.827078211e+00 -1.944525038e+00 3.12 -1.812281466e+00 -1.822588393e+00 -1.968524278e+00 3.14 -1.795875465e+00 -1.813892990e+00 -1.984677999e+00 3.16 -1.771328247e+00 -1.798308038e+00 -1.987815131e+00 3.18 -1.754145207e+00 -1.785944672e+00 -1.995082189e+00 3.20 -1.737040717e+00 -1.773756387e+00 -1.999826727e+00 3.22 -1.718995689e+00 -1.761490119e+00 -2.001557207e+00 3.24 -1.699927236e+00 -1.749496872e+00 -2.000185155e+00 3.26 -1.680109818e+00 -1.738083402e+00 -1.997459187e+00 3.28 -1.658746437e+00 -1.722398541e+00 -1.990466961e+00 3.30 -1.636102625e+00 -1.692469181e+00 -1.980950650e+00 3.32 -1.612804941e+00 -1.681849132e+00 -1.969203699e+00 3.34 -1.589258322e+00 -1.674960115e+00 -1.955439118e+00 3.36 -1.555736427e+00 -1.669509400e+00 -1.939873741e+00 3.38 -1.505408736e+00 -1.665898464e+00 -1.922852720e+00 3.40 -1.483526990e+00 -1.662044555e+00 -1.904417012e+00 3.42 -1.464689897e+00 -1.659938928e+00 -1.884703157e+00 3.44 -1.446035607e+00 -1.656672174e+00 -1.864062690e+00 3.46 -1.427419392e+00 -1.652493538e+00 -1.842659898e+00 3.48 -1.409085698e+00 -1.647770473e+00 -1.820451733e+00 3.50 -1.390477117e+00 -1.642295810e+00 -1.797746484e+00 3.52 -1.372680632e+00 -1.635870587e+00 -1.774738962e+00 3.54 -1.356022362e+00 -1.628591585e+00 -1.751444452e+00 3.56 -1.340191566e+00 -1.620236742e+00 -1.728100370e+00 3.58 -1.325281205e+00 -1.610806493e+00 -1.704843672e+00 3.60 -1.311512043e+00 -1.600836091e+00 -1.681916476e+00 3.62 -1.294077907e+00 -1.590736112e+00 -1.657324076e+00 3.64 -1.281330296e+00 -1.580631629e+00 -1.612532647e+00 3.66 -1.268505476e+00 -1.569998029e+00 -1.581488016e+00 3.68 -1.255633756e+00 -1.559277094e+00 -1.563234029e+00 3.70 -1.242966883e+00 -1.548517695e+00 -1.547313892e+00 3.72 -1.230485932e+00 -1.537134507e+00 -1.533401302e+00 3.74 -1.217994286e+00 -1.525375222e+00 -1.521623599e+00 3.76 -1.204782314e+00 -1.513381878e+00 -1.506417308e+00 3.78 -1.191920488e+00 -1.500712335e+00 -1.497065066e+00 3.80 -1.178919633e+00 -1.487494592e+00 -1.487385890e+00 3.82 -1.165832945e+00 -1.473751797e+00 -1.477433257e+00 3.84 -1.152668651e+00 -1.457337667e+00 -1.467101449e+00 3.86 -1.139416648e+00 -1.421759529e+00 -1.456348179e+00 3.88 -1.126102660e+00 -1.397522588e+00 -1.445199661e+00 3.90 -1.112789496e+00 -1.385073589e+00 -1.433812129e+00 3.92 -1.099427916e+00 -1.373138159e+00 -1.422177557e+00 3.94 -1.086100001e+00 -1.361313458e+00 -1.410245913e+00 3.96 -1.072741903e+00 -1.349494374e+00 -1.398080483e+00 3.98 -1.059401571e+00 -1.337311882e+00 -1.385569582e+00 4.00 -1.046071039e+00 -1.325313681e+00 -1.372952354e+00 4.02 -1.032771295e+00 -1.313302123e+00 -1.360290349e+00 4.04 -1.019520327e+00 -1.301301956e+00 -1.347481207e+00 4.06 -1.006256286e+00 -1.289165691e+00 -1.334514795e+00 4.08 -9.930395987e-01 -1.276894657e+00 -1.321532318e+00 4.10 -9.798592292e-01 -1.264459459e+00 -1.308504703e+00 4.12 -9.667456057e-01 -1.251731884e+00 -1.295376340e+00 4.14 -9.536375744e-01 -1.238857743e+00 -1.282333265e+00 4.16 -9.405800517e-01 -1.225819119e+00 -1.269362353e+00 4.18 -9.275702179e-01 -1.212648600e+00 -1.256383538e+00 4.20 -9.145792431e-01 -1.199345013e+00 -1.243371493e+00 4.22 -9.016730211e-01 -1.185928589e+00 -1.230138647e+00 4.24 -8.887970173e-01 -1.172381772e+00 -1.216655770e+00 4.26 -8.759718425e-01 -1.158760439e+00 -1.203184810e+00 4.28 -8.632098933e-01 -1.145068864e+00 -1.189646895e+00 4.30 -8.504808480e-01 -1.131317111e+00 -1.175914130e+00 4.32 -8.378162736e-01 -1.117515674e+00 -1.162176170e+00 4.34 -8.251842737e-01 -1.103668253e+00 -1.148432064e+00 4.36 -8.126148268e-01 -1.089800578e+00 -1.134602256e+00 4.38 -8.000937015e-01 -1.075900120e+00 -1.120713638e+00 4.40 -7.875949358e-01 -1.062005354e+00 -1.106793602e+00 4.42 -7.751424977e-01 -1.048092987e+00 -1.092673114e+00 4.44 -7.627250219e-01 -1.034171908e+00 -1.075614980e+00 4.46 -7.503641353e-01 -1.020249022e+00 -1.048110886e+00 4.48 -7.380425451e-01 -1.006360436e+00 -1.030189672e+00 4.50 -7.257356918e-01 -9.924715677e-01 -1.017802449e+00 4.52 -7.134422515e-01 -9.785789300e-01 -1.005872429e+00 4.54 -7.011747298e-01 -9.647204230e-01 -9.941099530e-01 4.56 -6.889462001e-01 -9.509124377e-01 -9.825191857e-01 4.58 -6.767404693e-01 -9.370899680e-01 -9.709673148e-01 4.60 -6.645093941e-01 -9.233096385e-01 -9.572224862e-01 4.62 -6.523242783e-01 -9.095622966e-01 -9.458759346e-01 4.64 -6.401109489e-01 -8.958402741e-01 -9.345733862e-01 4.66 -6.279150104e-01 -8.821679660e-01 -9.233344753e-01 4.68 -6.157096458e-01 -8.685144062e-01 -9.121571190e-01 4.70 -6.035392393e-01 -8.548977856e-01 -9.010275651e-01 4.72 -5.913150929e-01 -8.413138493e-01 -8.899401604e-01 4.74 -5.790936323e-01 -8.277694584e-01 -8.789140058e-01 4.76 -5.668684397e-01 -8.142358348e-01 -8.679215146e-01 4.78 -5.546027925e-01 -8.007538282e-01 -8.569785042e-01 4.80 -5.423242907e-01 -7.872923278e-01 -8.460512481e-01 4.82 -5.300013142e-01 -7.738769292e-01 -8.352002101e-01 4.84 -5.176640317e-01 -7.604663499e-01 -8.243381390e-01 4.86 -5.053008300e-01 -7.471006056e-01 -8.135383193e-01 4.88 -4.929165662e-01 -7.337746983e-01 -8.027473386e-01 4.90 -4.804654550e-01 -7.204671389e-01 -7.919713469e-01 4.92 -4.679788807e-01 -7.071793182e-01 -7.812156499e-01 4.94 -4.554532118e-01 -6.939359539e-01 -7.704785027e-01 4.96 -4.429040150e-01 -6.806864294e-01 -7.597250818e-01 4.98 -4.302892296e-01 -6.675033705e-01 -7.489925009e-01 5.00 -4.176904771e-01 -6.543552528e-01 -7.382711767e-01 5.02 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