# 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 = FId2Na # 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 5.863793315e+03 5.863793315e+03 1.30 5.083066663e+03 5.083066663e+03 1.32 4.418646549e+03 4.418646549e+03 1.34 3.851809193e+03 3.851809193e+03 1.36 3.366704941e+03 3.366704941e+03 1.38 2.950506027e+03 2.950506027e+03 1.40 2.592436739e+03 2.592436739e+03 1.42 2.283608009e+03 2.283608009e+03 1.44 2.016583986e+03 2.016583986e+03 1.46 1.785113502e+03 1.785113502e+03 1.48 1.584034391e+03 1.584034391e+03 1.50 1.408874614e+03 1.408874614e+03 1.52 1.255923180e+03 1.255923180e+03 1.54 1.122135200e+03 1.122135200e+03 1.56 1.004784232e+03 1.004784232e+03 1.58 9.016252091e+02 9.016252091e+02 1.60 8.107626088e+02 8.107626088e+02 1.62 7.305408627e+02 7.305408627e+02 1.64 6.595560472e+02 6.595560472e+02 1.66 5.966149536e+02 5.966149536e+02 1.68 5.407206876e+02 5.407206876e+02 1.70 4.909545148e+02 4.909545148e+02 1.72 4.465564685e+02 4.465564685e+02 1.74 4.068696165e+02 4.068696165e+02 1.76 3.713296889e+02 3.713296889e+02 1.78 3.394338604e+02 3.394338604e+02 1.80 3.107523979e+02 3.107523979e+02 1.82 2.849106748e+02 2.849106748e+02 1.84 2.615867644e+02 2.615867644e+02 1.86 2.404997916e+02 2.404997916e+02 1.88 2.213995179e+02 2.213995179e+02 1.90 2.040686338e+02 2.040686338e+02 1.92 1.883167731e+02 1.883167731e+02 1.94 1.739772439e+02 1.739772439e+02 1.96 1.609020965e+02 1.609020965e+02 1.98 1.489680912e+02 1.489680912e+02 2.00 1.380597275e+02 1.380597275e+02 2.02 1.280715222e+02 1.280715222e+02 2.04 1.189150704e+02 1.189150704e+02 2.06 1.105110030e+02 1.105110030e+02 2.08 1.027881422e+02 1.027881422e+02 2.10 9.568311091e+01 9.568311091e+01 2.12 8.913910633e+01 8.913910633e+01 2.14 8.310656168e+01 8.310656168e+01 2.16 7.753771169e+01 7.753771169e+01 2.18 7.239118742e+01 7.239118742e+01 2.20 6.762953063e+01 6.762953063e+01 2.22 6.321866496e+01 6.321866496e+01 2.24 5.912607021e+01 5.912607021e+01 2.26 5.532608426e+01 5.532608426e+01 2.28 5.179442667e+01 5.179442667e+01 2.30 4.850833788e+01 4.850833788e+01 2.32 4.544776160e+01 4.544776160e+01 2.34 4.259375555e+01 4.259375555e+01 2.36 3.992934338e+01 3.992934338e+01 2.38 3.743930877e+01 3.743930877e+01 2.40 3.511002101e+01 3.511002101e+01 2.42 3.292906676e+01 3.292906676e+01 2.44 3.088514887e+01 3.088514887e+01 2.46 2.896859868e+01 2.896859868e+01 2.48 2.717031612e+01 2.717031612e+01 2.50 2.548207114e+01 2.548207114e+01 2.52 2.389633966e+01 2.389633966e+01 2.54 2.240631704e+01 2.240631704e+01 2.56 2.100585726e+01 2.100585726e+01 2.58 1.968956974e+01 1.968956974e+01 2.60 1.845128557e+01 1.845128557e+01 2.62 1.728637178e+01 1.728637178e+01 2.64 1.619091917e+01 1.619091917e+01 2.66 1.516026214e+01 1.516026214e+01 2.68 1.419082132e+01 1.419082132e+01 2.70 1.327931541e+01 1.327931541e+01 2.72 1.242229537e+01 1.242229537e+01 2.74 1.161652799e+01 1.161652799e+01 2.76 1.085897249e+01 1.085897249e+01 2.78 1.014676108e+01 1.014676108e+01 2.80 9.477177857e+00 9.477177857e+00 2.82 8.847628186e+00 8.847628186e+00 2.84 8.255602439e+00 8.255602439e+00 2.86 7.698383537e+00 7.698383537e+00 2.88 7.174532822e+00 7.174532822e+00 2.90 6.681913000e+00 6.681913000e+00 2.92 6.218555411e+00 6.218555411e+00 2.94 5.781790091e+00 5.781790091e+00 2.96 5.370639935e+00 5.370639935e+00 2.98 4.983531838e+00 4.983531838e+00 3.00 4.618882890e+00 4.618882890e+00 3.02 4.275218305e+00 4.275218305e+00 3.04 3.951158472e+00 3.951158472e+00 3.06 3.645423925e+00 3.645423925e+00 3.08 3.356830169e+00 3.356830169e+00 3.10 3.084283381e+00 3.084283381e+00 3.12 2.826772041e+00 2.826772041e+00 3.14 2.583343399e+00 2.583343399e+00 3.16 2.353197749e+00 2.353197749e+00 3.18 2.135481695e+00 2.135481695e+00 3.20 1.929495371e+00 1.929495371e+00 3.22 1.734708334e+00 1.734708334e+00 3.24 1.550527859e+00 1.550527859e+00 3.26 1.376414110e+00 1.376414110e+00 3.28 1.211879528e+00 1.211879528e+00 3.30 1.056480330e+00 1.056480330e+00 3.32 9.098110678e-01 9.098110678e-01 3.34 7.714994193e-01 7.714994193e-01 3.36 6.412012883e-01 6.412012883e-01 3.38 5.185962472e-01 5.185962472e-01 3.40 4.033833715e-01 4.033833715e-01 3.42 2.952774901e-01 2.952774901e-01 3.44 1.940058687e-01 1.940058687e-01 3.46 9.930511185e-02 9.930511185e-02 3.48 1.089951226e-02 1.089951226e-02 3.50 -7.195316322e-02 -7.195316322e-02 3.52 -1.489025623e-01 -1.489025623e-01 3.54 -2.201669686e-01 -2.201669686e-01 3.56 -2.860132326e-01 -2.860132326e-01 3.58 -3.467029908e-01 -3.467029908e-01 3.60 -4.024937167e-01 -4.024937167e-01 3.62 -4.536391690e-01 -4.536391690e-01 3.64 -5.003895609e-01 -5.003895609e-01 3.66 -5.429914839e-01 -5.429914839e-01 3.68 -5.818552584e-01 -5.818552584e-01 3.70 -6.171562244e-01 -6.171562244e-01 3.72 -6.489573300e-01 -6.489573300e-01 3.74 -6.774989488e-01 -6.774989488e-01 3.76 -7.030130059e-01 -7.030130059e-01 3.78 -7.257223369e-01 -7.257223369e-01 3.80 -7.458401800e-01 -7.458401800e-01 3.82 -7.635696860e-01 -7.635696860e-01 3.84 -7.791034699e-01 -7.791034699e-01 3.86 -7.926232279e-01 -7.926232279e-01 3.88 -8.042994387e-01 -8.042994387e-01 3.90 -8.143170501e-01 -8.143170501e-01 3.92 -8.229361904e-01 -8.229361904e-01 3.94 -8.301307052e-01 -8.301307052e-01 3.96 -8.360391143e-01 -8.360391143e-01 3.98 -8.408129219e-01 -8.408129219e-01 4.00 -8.444996379e-01 -8.444996379e-01 4.02 -8.471958829e-01 -8.471958829e-01 4.04 -8.489881735e-01 -8.489881735e-01 4.06 -8.499532495e-01 -8.499532495e-01 4.08 -8.501597432e-01 -8.501597432e-01 4.10 -8.496683125e-01 -8.496683125e-01 4.12 -8.485322647e-01 -8.485322647e-01 4.14 -8.467985406e-01 -8.467985406e-01 4.16 -8.445084777e-01 -8.445084777e-01 4.18 -8.416985439e-01 -8.416985439e-01 4.20 -8.384010268e-01 -8.384010268e-01 4.22 -8.346446712e-01 -8.346446712e-01 4.24 -8.304552565e-01 -8.304552565e-01 4.26 -8.258561086e-01 -8.258561086e-01 4.28 -8.208685453e-01 -8.208685453e-01 4.30 -8.155122529e-01 -8.155122529e-01 4.32 -8.098055895e-01 -8.098055895e-01 4.34 -8.037658599e-01 -8.037658599e-01 4.36 -7.974094806e-01 -7.974094806e-01 4.38 -7.907521250e-01 -7.907521250e-01 4.40 -7.838088188e-01 -7.838088188e-01 4.42 -7.765939948e-01 -7.765939948e-01 4.44 -7.691215169e-01 -7.691215169e-01 4.46 -7.614046791e-01 -7.614046791e-01 4.48 -7.534561875e-01 -7.534561875e-01 4.50 -7.454615384e-01 -7.454615384e-01 4.52 -7.372824599e-01 -7.372824599e-01 4.54 -7.288624638e-01 -7.288624638e-01 4.56 -7.202184967e-01 -7.202184967e-01 4.58 -7.113689181e-01 -7.113689181e-01 4.60 -7.023255440e-01 -7.023255440e-01 4.62 -6.931006417e-01 -6.931006417e-01 4.64 -6.837050106e-01 -6.837050106e-01 4.66 -6.741480388e-01 -6.741480388e-01 4.68 -6.644378286e-01 -6.644378286e-01 4.70 -6.545813246e-01 -6.545813246e-01 4.72 -6.445844453e-01 -6.445844453e-01 4.74 -6.344522163e-01 -6.344522163e-01 4.76 -6.241889050e-01 -6.241889050e-01 4.78 -6.137981565e-01 -6.137981565e-01 4.80 -6.032831291e-01 -6.032831291e-01 4.82 -5.926466284e-01 -5.926466284e-01 4.84 -5.818912400e-01 -5.818912400e-01 4.86 -5.710194589e-01 -5.710194589e-01 4.88 -5.600338146e-01 -5.600338146e-01 4.90 -5.489369911e-01 -5.489369911e-01 4.92 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