# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--Al-Cu--LAMMPS--ipr1 # composition = AlCu3 # 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 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 9.889077284e+01 nan nan 0.92 9.149818619e+01 nan nan 0.94 8.464179662e+01 nan nan 0.96 7.828712728e+01 nan nan 0.98 7.255932633e+01 nan nan 1.00 6.733036850e+01 9.300655458e+01 nan 1.02 6.266029459e+01 8.663353711e+01 9.561085845e+01 1.04 5.846753289e+01 8.068999529e+01 8.921303670e+01 1.06 5.471643848e+01 7.509502018e+01 8.337961286e+01 1.08 5.131150284e+01 6.997835607e+01 7.806971010e+01 1.10 4.820241807e+01 6.528800958e+01 7.317549685e+01 1.12 4.535048855e+01 6.099095808e+01 6.869830073e+01 1.14 4.267824353e+01 5.706844409e+01 6.447652667e+01 1.16 4.021754687e+01 5.359909907e+01 6.049104134e+01 1.18 3.793991755e+01 5.051624867e+01 5.687977441e+01 1.20 3.576928139e+01 4.768352486e+01 5.354171498e+01 1.22 3.373074549e+01 4.504853809e+01 5.040155757e+01 1.24 3.186120980e+01 4.266039742e+01 4.751071249e+01 1.26 3.011796719e+01 4.049155803e+01 4.483320353e+01 1.28 2.844743903e+01 3.848695899e+01 4.232653665e+01 1.30 2.688159919e+01 3.656800622e+01 3.999961564e+01 1.32 2.542720217e+01 3.470856137e+01 3.790846185e+01 1.34 2.405043821e+01 3.295568537e+01 3.603793048e+01 1.36 2.269483818e+01 3.132479960e+01 3.431697319e+01 1.38 2.133053018e+01 2.981471415e+01 3.264948151e+01 1.40 1.999091207e+01 2.842123323e+01 3.103893255e+01 1.42 1.867445437e+01 2.710440184e+01 2.952913114e+01 1.44 1.737739410e+01 2.579238995e+01 2.809668658e+01 1.46 1.608072402e+01 2.445725073e+01 2.672733987e+01 1.48 1.479767914e+01 2.313959596e+01 2.540014643e+01 1.50 1.356347348e+01 2.185764595e+01 2.409571534e+01 1.52 1.241486704e+01 2.060477384e+01 2.282642632e+01 1.54 1.135182004e+01 1.937780168e+01 2.161797564e+01 1.56 1.036769868e+01 1.818462998e+01 2.047373887e+01 1.58 9.453208816e+00 1.704853782e+01 1.939173068e+01 1.60 8.595427760e+00 1.597079069e+01 1.836864911e+01 1.62 7.777624470e+00 1.494197837e+01 1.739023792e+01 1.64 6.987812509e+00 1.393916361e+01 1.643162289e+01 1.66 6.227203541e+00 1.293658025e+01 1.546548877e+01 1.68 5.494445275e+00 1.194464486e+01 1.450275193e+01 1.70 4.788683652e+00 1.097812708e+01 1.355691311e+01 1.72 4.109449353e+00 1.003370551e+01 1.262363979e+01 1.74 3.456100808e+00 9.113841642e+00 1.170200148e+01 1.76 2.827647206e+00 8.223643251e+00 1.079168166e+01 1.78 2.224609714e+00 7.361508151e+00 9.893359754e+00 1.80 1.658849256e+00 6.535648762e+00 9.019377640e+00 1.82 1.134732168e+00 5.768783293e+00 8.202136332e+00 1.84 6.357967040e-01 5.061317916e+00 7.428692559e+00 1.86 1.545759976e-01 4.410284798e+00 6.678656034e+00 1.88 -2.853291020e-01 3.806945460e+00 5.928814888e+00 1.90 -6.842367641e-01 3.238916371e+00 5.189779510e+00 1.92 -1.044926758e+00 2.691940691e+00 4.485700508e+00 1.94 -1.369911199e+00 2.153152422e+00 3.814041797e+00 1.96 -1.661788181e+00 1.629400406e+00 3.172504815e+00 1.98 -1.922625737e+00 1.111007746e+00 2.559071565e+00 2.00 -2.154094437e+00 6.097030019e-01 1.974819963e+00 2.02 -2.357558798e+00 1.421699070e-01 1.433171814e+00 2.04 -2.534204044e+00 -2.911775241e-01 9.342043183e-01 2.06 -2.685245343e+00 -6.913442077e-01 4.766873326e-01 2.08 -2.812283222e+00 -1.059104781e+00 5.886989664e-02 2.10 -2.918053594e+00 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-3.500454158e+00 -3.599657182e+00 -3.623649163e+00 2.48 -3.461567612e+00 -3.589759995e+00 -3.661701763e+00 2.50 -3.417828457e+00 -3.573251650e+00 -3.690905982e+00 2.52 -3.369397204e+00 -3.548372917e+00 -3.711567662e+00 2.54 -3.316624457e+00 -3.518917632e+00 -3.724874543e+00 2.56 -3.259722428e+00 -3.488787346e+00 -3.730941087e+00 2.58 -3.198984416e+00 -3.462401005e+00 -3.730504684e+00 2.60 -3.134693414e+00 -3.445172088e+00 -3.724053795e+00 2.62 -3.067087008e+00 -3.429876021e+00 -3.711797500e+00 2.64 -2.996343832e+00 -3.410330466e+00 -3.693736864e+00 2.66 -2.923876884e+00 -3.386209709e+00 -3.669674247e+00 2.68 -2.850103057e+00 -3.357678962e+00 -3.639591721e+00 2.70 -2.775604136e+00 -3.325499602e+00 -3.604137667e+00 2.72 -2.702438250e+00 -3.290383428e+00 -3.563975173e+00 2.74 -2.633736048e+00 -3.252924461e+00 -3.518575417e+00 2.76 -2.571614282e+00 -3.213477316e+00 -3.466798670e+00 2.78 -2.514003775e+00 -3.172141690e+00 -3.408913943e+00 2.80 -2.458053887e+00 -3.128956967e+00 -3.347598501e+00 2.82 -2.403733636e+00 -3.084020704e+00 -3.285792394e+00 2.84 -2.351392091e+00 -3.037513147e+00 -3.226698653e+00 2.86 -2.301107230e+00 -2.989666252e+00 -3.173481708e+00 2.88 -2.252799277e+00 -2.940820452e+00 -3.129107005e+00 2.90 -2.206351074e+00 -2.891401257e+00 -3.084676015e+00 2.92 -2.161612718e+00 -2.841104383e+00 -3.038535410e+00 2.94 -2.118393485e+00 -2.789394099e+00 -2.990920538e+00 2.96 -2.076486422e+00 -2.737147193e+00 -2.942044739e+00 2.98 -2.035814086e+00 -2.684084867e+00 -2.892110569e+00 3.00 -1.996245883e+00 -2.630829953e+00 -2.841322217e+00 3.02 -1.957583163e+00 -2.577649003e+00 -2.789659146e+00 3.04 -1.919682092e+00 -2.525206512e+00 -2.736156915e+00 3.06 -1.882442688e+00 -2.473868052e+00 -2.682188429e+00 3.08 -1.845813148e+00 -2.423207330e+00 -2.628179588e+00 3.10 -1.809487267e+00 -2.373504984e+00 -2.574413203e+00 3.12 -1.772820026e+00 -2.324998114e+00 -2.521273335e+00 3.14 -1.735881615e+00 -2.277860801e+00 -2.469174209e+00 3.16 -1.698988028e+00 -2.232245121e+00 -2.418600691e+00 3.18 -1.662589680e+00 -2.188250871e+00 -2.370041719e+00 3.20 -1.627189666e+00 -2.145853204e+00 -2.323824367e+00 3.22 -1.593092102e+00 -2.105000329e+00 -2.280056105e+00 3.24 -1.559377423e+00 -2.065654798e+00 -2.237928217e+00 3.26 -1.525915494e+00 -2.027640091e+00 -2.197269941e+00 3.28 -1.492714118e+00 -1.990652277e+00 -2.158011365e+00 3.30 -1.459768329e+00 -1.954400660e+00 -2.120070410e+00 3.32 -1.427056774e+00 -1.918685824e+00 -2.083389286e+00 3.34 -1.394546047e+00 -1.883383087e+00 -2.047852391e+00 3.36 -1.362187565e+00 -1.848513374e+00 -2.013277119e+00 3.38 -1.329910204e+00 -1.814271657e+00 -1.979436327e+00 3.40 -1.297624816e+00 -1.781023822e+00 -1.946148794e+00 3.42 -1.265207191e+00 -1.748657175e+00 -1.913260477e+00 3.44 -1.232566509e+00 -1.716262415e+00 -1.880640078e+00 3.46 -1.199532655e+00 -1.683810404e+00 -1.848177473e+00 3.48 -1.166199670e+00 -1.651315970e+00 -1.815780046e+00 3.50 -1.132961824e+00 -1.618835842e+00 -1.783411835e+00 3.52 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