# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = FIdLi2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 6.016722023e+06 nan 1.30 4.593292404e+06 4.593292404e+06 1.32 3.520820915e+06 3.520820915e+06 1.34 2.709340914e+06 2.709340914e+06 1.36 2.092810081e+06 2.092810081e+06 1.38 1.622523639e+06 1.622523639e+06 1.40 1.262402752e+06 1.262402752e+06 1.42 9.856053177e+05 9.856053177e+05 1.44 7.720767908e+05 7.720767908e+05 1.46 6.067729297e+05 6.067729297e+05 1.48 4.783630541e+05 4.783630541e+05 1.50 3.782801681e+05 3.782801681e+05 1.52 3.000228056e+05 3.000228056e+05 1.54 2.386388717e+05 2.386388717e+05 1.56 1.903429773e+05 1.903429773e+05 1.58 1.522316298e+05 1.522316298e+05 1.60 1.220703212e+05 1.220703212e+05 1.62 9.813368070e+04 9.813368070e+04 1.64 7.908525882e+04 7.908525882e+04 1.66 6.388657959e+04 6.388657959e+04 1.68 5.172836280e+04 5.172836280e+04 1.70 4.197798331e+04 4.197798331e+04 1.72 3.413953361e+04 3.413953361e+04 1.74 2.782317044e+04 2.782317044e+04 1.76 2.272160714e+04 2.272160714e+04 1.78 1.859199033e+04 1.859199033e+04 1.80 1.524187267e+04 1.524187267e+04 1.82 1.251836156e+04 1.251836156e+04 1.84 1.029971002e+04 1.029971002e+04 1.86 8.488711243e+03 8.488711243e+03 1.88 7.007617411e+03 7.007617411e+03 1.90 5.794062685e+03 5.794062685e+03 1.92 4.797909726e+03 4.797909726e+03 1.94 3.978767390e+03 3.978767390e+03 1.96 3.304030397e+03 3.304030397e+03 1.98 2.747321409e+03 2.747321409e+03 2.00 2.287247932e+03 2.287247932e+03 2.02 1.906454665e+03 1.906454665e+03 2.04 1.590810924e+03 1.590810924e+03 2.06 1.328793448e+03 1.328793448e+03 2.08 1.110989296e+03 1.110989296e+03 2.10 9.296960066e+02 9.296960066e+02 2.12 7.785997229e+02 7.785997229e+02 2.14 6.525143416e+02 6.525143416e+02 2.16 5.471758031e+02 5.471758031e+02 2.18 4.590657941e+02 4.590657941e+02 2.20 3.852941420e+02 3.852941420e+02 2.22 3.234651053e+02 3.234651053e+02 2.24 2.715957073e+02 2.715957073e+02 2.26 2.280420644e+02 2.280420644e+02 2.28 1.914403491e+02 1.914403491e+02 2.30 1.606569373e+02 1.606569373e+02 2.32 1.347484469e+02 1.347484469e+02 2.34 1.129288437e+02 1.129288437e+02 2.36 9.454171787e+01 9.454171787e+01 2.38 7.904003244e+01 7.904003244e+01 2.40 6.596485728e+01 6.596485728e+01 2.42 5.493175906e+01 5.493175906e+01 2.44 4.562218897e+01 4.562218897e+01 2.46 3.776635998e+01 3.776635998e+01 2.48 3.113767139e+01 3.113767139e+01 2.50 2.554562153e+01 2.554562153e+01 2.52 2.082982061e+01 2.082982061e+01 2.54 1.685501207e+01 1.685501207e+01 2.56 1.350714240e+01 1.350714240e+01 2.58 1.069031487e+01 1.069031487e+01 2.60 8.322382003e+00 8.322382003e+00 2.62 6.335423143e+00 6.335423143e+00 2.64 4.671459796e+00 4.671459796e+00 2.66 3.281299805e+00 3.281299805e+00 2.68 2.123097966e+00 2.123097966e+00 2.70 1.161368211e+00 1.161368211e+00 2.72 3.659989577e-01 3.659989577e-01 2.74 -2.893708185e-01 -2.893708185e-01 2.76 -8.258190498e-01 -8.258190498e-01 2.78 -1.261453134e+00 -1.261453134e+00 2.80 -1.611987304e+00 -1.611987304e+00 2.82 -1.890781690e+00 -1.890781690e+00 2.84 -2.109369281e+00 -2.109369281e+00 2.86 -2.277782355e+00 -2.277782355e+00 2.88 -2.403577066e+00 -2.403577066e+00 2.90 -2.493731313e+00 -2.493731313e+00 2.92 -2.554180487e+00 -2.554180487e+00 2.94 -2.589967687e+00 -2.589967687e+00 2.96 -2.605379781e+00 -2.605379781e+00 2.98 -2.604051664e+00 -2.604051664e+00 3.00 -2.589056976e+00 -2.589056976e+00 3.02 -2.562994208e+00 -2.562994208e+00 3.04 -2.528183730e+00 -2.528183730e+00 3.06 -2.486347623e+00 -2.486347623e+00 3.08 -2.439001631e+00 -2.439001631e+00 3.10 -2.387454784e+00 -2.387454784e+00 3.12 -2.332797887e+00 -2.332797887e+00 3.14 -2.275938000e+00 -2.275938000e+00 3.16 -2.217625684e+00 -2.217625684e+00 3.18 -2.158513787e+00 -2.158513787e+00 3.20 -2.099104270e+00 -2.099104270e+00 3.22 -2.039751294e+00 -2.039751294e+00 3.24 -1.980786557e+00 -1.980786557e+00 3.26 -1.922635505e+00 -1.922635505e+00 3.28 -1.865438878e+00 -1.865438878e+00 3.30 -1.809204684e+00 -1.809204684e+00 3.32 -1.754051363e+00 -1.754051363e+00 3.34 -1.700157574e+00 -1.700157574e+00 3.36 -1.647612442e+00 -1.647612442e+00 3.38 -1.596264375e+00 -1.596264375e+00 3.40 -1.546138405e+00 -1.546138405e+00 3.42 -1.497243203e+00 -1.497243203e+00 3.44 -1.449574765e+00 -1.449574765e+00 3.46 -1.403119593e+00 -1.403119593e+00 3.48 -1.357857414e+00 -1.357857414e+00 3.50 -1.313763484e+00 -1.313763484e+00 3.52 -1.270809472e+00 -1.270809472e+00 3.54 -1.228967583e+00 -1.228967583e+00 3.56 -1.188210115e+00 -1.188210115e+00 3.58 -1.148511089e+00 -1.148511089e+00 3.60 -1.109845730e+00 -1.109845730e+00 3.62 -1.072191739e+00 -1.072191739e+00 3.64 -1.035529564e+00 -1.035529564e+00 3.66 -9.998424936e-01 -9.998424936e-01 3.68 -9.651187750e-01 -9.651187750e-01 3.70 -9.314710784e-01 -9.314710784e-01 3.72 -8.988988403e-01 -8.988988403e-01 3.74 -8.672456055e-01 -8.672456055e-01 3.76 -8.364676406e-01 -8.364676406e-01 3.78 -8.065688774e-01 -8.065688774e-01 3.80 -7.775519223e-01 -7.775519223e-01 3.82 -7.494194660e-01 -7.494194660e-01 3.84 -7.221720759e-01 -7.221720759e-01 3.86 -6.958085375e-01 -6.958085375e-01 3.88 -6.703255884e-01 -6.703255884e-01 3.90 -6.457176929e-01 -6.457176929e-01 3.92 -6.219768725e-01 -6.219768725e-01 3.94 -5.990925964e-01 -5.990925964e-01 3.96 -5.770517344e-01 -5.770517344e-01 3.98 -5.558385720e-01 -5.558385720e-01 4.00 -5.354348856e-01 -5.354348856e-01 4.02 -5.158200726e-01 -5.158200726e-01 4.04 -4.969713315e-01 -4.969713315e-01 4.06 -4.788638843e-01 -4.788638843e-01 4.08 -4.614712338e-01 -4.614712338e-01 4.10 -4.447654465e-01 -4.447654465e-01 4.12 -4.287174536e-01 -4.287174536e-01 4.14 -4.132973598e-01 -4.132973598e-01 4.16 -3.984747548e-01 -3.984747548e-01 4.18 -3.842190170e-01 -3.842190170e-01 4.20 -3.704996053e-01 -3.704996053e-01 4.22 -3.572863334e-01 -3.572863334e-01 4.24 -3.445496206e-01 -3.445496206e-01 4.26 -3.322607180e-01 -3.322607180e-01 4.28 -3.204081062e-01 -3.204081062e-01 4.30 -3.089623922e-01 -3.089623922e-01 4.32 -2.978803420e-01 -2.978803420e-01 4.34 -2.871385386e-01 -2.871385386e-01 4.36 -2.767155050e-01 -2.767155050e-01 4.38 -2.665912030e-01 -2.665912030e-01 4.40 -2.567470721e-01 -2.567470721e-01 4.42 -2.471661588e-01 -2.471661588e-01 4.44 -2.378331155e-01 -2.378331155e-01 4.46 -2.287341824e-01 -2.287341824e-01 4.48 -2.198571539e-01 -2.198571539e-01 4.50 -2.112781971e-01 -2.112781971e-01 4.52 -2.029635758e-01 -2.029635758e-01 4.54 -1.948150060e-01 -1.948150060e-01 4.56 -1.868302213e-01 -1.868302213e-01 4.58 -1.790077287e-01 -1.790077287e-01 4.60 -1.713466319e-01 -1.713466319e-01 4.62 -1.638466057e-01 -1.638466057e-01 4.64 -1.565078634e-01 -1.565078634e-01 4.66 -1.493311171e-01 -1.493311171e-01 4.68 -1.423175297e-01 -1.423175297e-01 4.70 -1.354686624e-01 -1.354686624e-01 4.72 -1.287864155e-01 -1.287864155e-01 4.74 -1.222729654e-01 -1.222729654e-01 4.76 -1.159306975e-01 -1.159306975e-01 4.78 -1.097621370e-01 -1.097621370e-01 4.80 -1.037698778e-01 -1.037698778e-01 4.82 -9.795651185e-02 -9.795651185e-02 4.84 -9.232455886e-02 -9.232455886e-02 4.86 -8.687639789e-02 -8.687639789e-02 4.88 -8.161420233e-02 -8.161420233e-02 4.90 -7.653987868e-02 -7.653987868e-02 4.92 -7.165501030e-02 -7.165501030e-02 4.94 -6.696080691e-02 -6.696080691e-02 4.96 -6.245796731e-02 -6.245796731e-02 4.98 -5.814652508e-02 -5.814652508e-02 5.00 -5.402679199e-02 -5.402679199e-02 5.02 -5.009810746e-02 -5.009810746e-02 5.04 -4.635928984e-02 -4.635928984e-02 5.06 -4.280862967e-02 -4.280862967e-02 5.08 -3.944389044e-02 -3.944389044e-02 5.10 -3.626231666e-02 -3.626231666e-02 5.12 -3.326064877e-02 -3.326064877e-02 5.14 -3.043514445e-02 -3.043514445e-02 5.16 -2.778160568e-02 -2.778160568e-02 5.18 -2.529541088e-02 -2.529541088e-02 5.20 -2.297155148e-02 -2.297155148e-02 5.22 -2.080467207e-02 -2.080467207e-02 5.24 -1.879508081e-02 -1.879508081e-02 5.26 -1.700617092e-02 -1.700617092e-02 5.28 -1.534483975e-02 -1.534483975e-02 5.30 -1.380615549e-02 -1.380615549e-02 5.32 -1.238489968e-02 -1.238489968e-02 5.34 -1.107566196e-02 -1.107566196e-02 5.36 -9.872893695e-03 -9.872893695e-03 5.38 -8.770959234e-03 -8.770959234e-03 5.40 -7.764184139e-03 -7.764184139e-03 5.42 -6.846900115e-03 -6.846900115e-03 5.44 -6.013634699e-03 -6.013634699e-03 5.46 -5.258807604e-03 -5.258807604e-03 5.48 -4.576844462e-03 -4.576844462e-03 5.50 -3.962481974e-03 -3.962481974e-03 5.52 -3.410628481e-03 -3.410628481e-03 5.54 -2.916385116e-03 -2.916385116e-03 5.56 -2.475063003e-03 -2.475063003e-03 5.58 -2.082196680e-03 -2.082196680e-03 5.60 -1.733553942e-03 -1.733553942e-03 5.62 -1.425142357e-03 -1.425142357e-03 5.64 -1.153212710e-03 -1.153212710e-03 5.66 -9.142596680e-04 -9.142596680e-04 5.68 -7.050199569e-04 -7.050199569e-04 5.70 -5.224683590e-04 -5.224683590e-04 5.72 -3.638118224e-04 -3.638118224e-04 5.74 -2.264819829e-04 -2.264819829e-04 5.76 -1.081263782e-04 -1.081263782e-04 5.78 -3.530055859e-05 -3.530055859e-05 5.80 -3.184220406e-05 -3.184220406e-05 5.82 -2.867282509e-05 -2.867282509e-05 5.84 -2.577197093e-05 -2.577197093e-05 5.86 -2.312035207e-05 -2.312035207e-05 5.88 -2.069979631e-05 -2.069979631e-05 5.90 -1.849320486e-05 -1.849320486e-05 5.92 -1.648450855e-05 -1.648450855e-05 5.94 -1.465862425e-05 -1.465862425e-05 5.96 -1.300141178e-05 -1.300141178e-05 5.98 -1.149963124e-05 -1.149963124e-05 6.00 -1.014090108e-05 -1.014090108e-05