# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1 # composition = AgCuZr2 # 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 5.041718137e+02 5.041718137e+02 1.00 4.737635484e+02 4.737635484e+02 1.02 4.452030252e+02 4.452030252e+02 1.04 4.183731230e+02 4.183731230e+02 1.06 3.931644904e+02 3.931644904e+02 1.08 3.694750129e+02 3.694750129e+02 1.10 3.472093172e+02 3.472093172e+02 1.12 3.262783101e+02 3.262783101e+02 1.14 3.065987495e+02 3.065987495e+02 1.16 2.880928455e+02 2.880928455e+02 1.18 2.706878889e+02 2.706878889e+02 1.20 2.543159058e+02 2.543159058e+02 1.22 2.389133365e+02 2.389133365e+02 1.24 2.244207362e+02 2.244207362e+02 1.26 2.107824971e+02 2.107824971e+02 1.28 1.979465888e+02 1.979465888e+02 1.30 1.858643182e+02 1.858643182e+02 1.32 1.744901046e+02 1.744901046e+02 1.34 1.637812716e+02 1.637812716e+02 1.36 1.536978520e+02 1.536978520e+02 1.38 1.442024080e+02 1.442024080e+02 1.40 1.352598618e+02 1.352598618e+02 1.42 1.268373398e+02 1.268373398e+02 1.44 1.189040260e+02 1.189040260e+02 1.46 1.114310263e+02 1.114310263e+02 1.48 1.043912422e+02 1.043912422e+02 1.50 9.775925232e+01 9.775925232e+01 1.52 9.151120322e+01 9.151120322e+01 1.54 8.562470666e+01 8.562470666e+01 1.56 8.007874444e+01 8.007874444e+01 1.58 7.485357953e+01 7.485357953e+01 1.60 6.993067326e+01 6.993067326e+01 1.62 6.529260812e+01 6.529260812e+01 1.64 6.092301583e+01 6.092301583e+01 1.66 5.680651024e+01 5.680651024e+01 1.68 5.292862472e+01 5.292862472e+01 1.70 4.927575381e+01 4.927575381e+01 1.72 4.583509873e+01 4.583509873e+01 1.74 4.259461659e+01 4.259461659e+01 1.76 3.954297297e+01 3.954297297e+01 1.78 3.666949757e+01 3.666949757e+01 1.80 3.396414298e+01 3.396414298e+01 1.82 3.141744597e+01 3.141744597e+01 1.84 2.902049146e+01 2.902049146e+01 1.86 2.676487886e+01 2.676487886e+01 1.88 2.464269055e+01 2.464269055e+01 1.90 2.264646241e+01 2.264646241e+01 1.92 2.076915637e+01 2.076915637e+01 1.94 1.900413462e+01 1.900413462e+01 1.96 1.734513554e+01 1.734513554e+01 1.98 1.578625122e+01 1.578625122e+01 2.00 1.432190627e+01 1.432190627e+01 2.02 1.294683820e+01 1.294683820e+01 2.04 1.165607884e+01 1.165607884e+01 2.06 1.044493707e+01 1.044493707e+01 2.08 9.308982597e+00 9.308982597e+00 2.10 8.244030711e+00 8.244030711e+00 2.12 7.246128062e+00 7.246128062e+00 2.14 6.311539280e+00 6.311539280e+00 2.16 5.436734422e+00 5.436734422e+00 2.18 4.618377214e+00 4.618377214e+00 2.20 3.853313997e+00 3.853313997e+00 2.22 3.138563349e+00 3.138563349e+00 2.24 2.471306354e+00 2.471306354e+00 2.26 1.848877436e+00 1.848877436e+00 2.28 1.268755759e+00 1.268755759e+00 2.30 7.285571453e-01 7.285571453e-01 2.32 2.260264605e-01 2.260264605e-01 2.34 -2.409695360e-01 -2.409695360e-01 2.36 -6.744489223e-01 -6.744489223e-01 2.38 -1.076320958e+00 -1.076320958e+00 2.40 -1.448392042e+00 -1.448392042e+00 2.42 -1.792371340e+00 -1.792371340e+00 2.44 -2.109876078e+00 -2.109876078e+00 2.46 -2.402436525e+00 -2.402436525e+00 2.48 -2.671500706e+00 -2.671500706e+00 2.50 -2.918438837e+00 -2.918438837e+00 2.52 -3.144547501e+00 -3.144547501e+00 2.54 -3.351053607e+00 -3.351053607e+00 2.56 -3.539118107e+00 -3.539118107e+00 2.58 -3.709839517e+00 -3.709839517e+00 2.60 -3.864257244e+00 -3.864257244e+00 2.62 -4.003354713e+00 -4.003354713e+00 2.64 -4.128062339e+00 -4.128062339e+00 2.66 -4.239260331e+00 -4.239260331e+00 2.68 -4.337781330e+00 -4.337781330e+00 2.70 -4.424412926e+00 -4.424412926e+00 2.72 -4.499900019e+00 -4.499900019e+00 2.74 -4.564947059e+00 -4.564947059e+00 2.76 -4.620220172e+00 -4.620220172e+00 2.78 -4.666349161e+00 -4.666349161e+00 2.80 -4.703929408e+00 -4.703929408e+00 2.82 -4.733523672e+00 -4.733523672e+00 2.84 -4.755663793e+00 -4.755663793e+00 2.86 -4.770852302e+00 -4.770852302e+00 2.88 -4.779563953e+00 -4.779563953e+00 2.90 -4.782247171e+00 -4.782247171e+00 2.92 -4.779325420e+00 -4.779325420e+00 2.94 -4.771198509e+00 -4.771198509e+00 2.96 -4.758243821e+00 -4.758243821e+00 2.98 -4.740817485e+00 -4.740817485e+00 3.00 -4.719255482e+00 -4.719255482e+00 3.02 -4.693874700e+00 -4.693874700e+00 3.04 -4.664973926e+00 -4.664973926e+00 3.06 -4.632834797e+00 -4.632834797e+00 3.08 -4.597722694e+00 -4.597722694e+00 3.10 -4.559887595e+00 -4.559887595e+00 3.12 -4.519564880e+00 -4.519564880e+00 3.14 -4.476976104e+00 -4.476976104e+00 3.16 -4.432329718e+00 -4.432329718e+00 3.18 -4.385821760e+00 -4.385821760e+00 3.20 -4.337636515e+00 -4.337636515e+00 3.22 -4.287947132e+00 -4.287947132e+00 3.24 -4.236916218e+00 -4.236916218e+00 3.26 -4.184696396e+00 -4.184696396e+00 3.28 -4.131430836e+00 -4.131430836e+00 3.30 -4.077253763e+00 -4.077253763e+00 3.32 -4.022290936e+00 -4.022290936e+00 3.34 -3.966660099e+00 -3.966660099e+00 3.36 -3.910471418e+00 -3.910471418e+00 3.38 -3.853827888e+00 -3.853827888e+00 3.40 -3.796825722e+00 -3.796825722e+00 3.42 -3.739554723e+00 -3.739554723e+00 3.44 -3.682098631e+00 -3.682098631e+00 3.46 -3.624535460e+00 -3.624535460e+00 3.48 -3.566937809e+00 -3.566937809e+00 3.50 -3.509373165e+00 -3.509373165e+00 3.52 -3.451904188e+00 -3.451904188e+00 3.54 -3.394588978e+00 -3.394588978e+00 3.56 -3.337481333e+00 -3.337481333e+00 3.58 -3.280630991e+00 -3.280630991e+00 3.60 -3.224083863e+00 -3.224083863e+00 3.62 -3.167882246e+00 -3.167882246e+00 3.64 -3.112065038e+00 -3.112065038e+00 3.66 -3.056667927e+00 -3.056667927e+00 3.68 -3.001723584e+00 -3.001723584e+00 3.70 -2.947261834e+00 -2.947261834e+00 3.72 -2.893309829e+00 -2.893309829e+00 3.74 -2.839892201e+00 -2.839892201e+00 3.76 -2.787031218e+00 -2.787031218e+00 3.78 -2.734746923e+00 -2.734746923e+00 3.80 -2.683057271e+00 -2.683057271e+00 3.82 -2.631978256e+00 -2.631978256e+00 3.84 -2.581524032e+00 -2.581524032e+00 3.86 -2.531707029e+00 -2.531707029e+00 3.88 -2.482538061e+00 -2.482538061e+00 3.90 -2.434026426e+00 -2.434026426e+00 3.92 -2.386180011e+00 -2.386180011e+00 3.94 -2.339005373e+00 -2.339005373e+00 3.96 -2.292507837e+00 -2.292507837e+00 3.98 -2.246691570e+00 -2.246691570e+00 4.00 -2.201559663e+00 -2.201559663e+00 4.02 -2.157114204e+00 -2.157114204e+00 4.04 -2.113356347e+00 -2.113356347e+00 4.06 -2.070286378e+00 -2.070286378e+00 4.08 -2.027903776e+00 -2.027903776e+00 4.10 -1.986207273e+00 -1.986207273e+00 4.12 -1.945194907e+00 -1.945194907e+00 4.14 -1.904864076e+00 -1.904864076e+00 4.16 -1.865211587e+00 -1.865211587e+00 4.18 -1.826233702e+00 -1.826233702e+00 4.20 -1.787926181e+00 -1.787926181e+00 4.22 -1.750284324e+00 -1.750284324e+00 4.24 -1.713303007e+00 -1.713303007e+00 4.26 -1.676199218e+00 -1.676199218e+00 4.28 -1.622784453e+00 -1.622784453e+00 4.30 -1.497422683e+00 -1.497422683e+00 4.32 -1.198214636e+00 -1.198214636e+00 4.34 -1.037253162e+00 -1.037253162e+00 4.36 -1.008823794e+00 -1.008823794e+00 4.38 -9.809529141e-01 -9.809529141e-01 4.40 -9.536408888e-01 -9.536408888e-01 4.42 -9.268885135e-01 -9.268885135e-01 4.44 -9.006969971e-01 -9.006969971e-01 4.46 -8.750679367e-01 -8.750679367e-01 4.48 -8.500032793e-01 -8.500032793e-01 4.50 -8.255052704e-01 -8.255052704e-01 4.52 -8.015763889e-01 -8.015763889e-01 4.54 -7.782192685e-01 -7.782192685e-01 4.56 -7.554366046e-01 -7.554366046e-01 4.58 -7.332310486e-01 -7.332310486e-01 4.60 -7.116050897e-01 -7.116050897e-01 4.62 -6.905609262e-01 -6.905609262e-01 4.64 -6.701003278e-01 -6.701003278e-01 4.66 -6.502244921e-01 -6.502244921e-01 4.68 -6.309338990e-01 -6.309338990e-01 4.70 -6.122281651e-01 -6.122281651e-01 4.72 -5.941059037e-01 -5.941059037e-01 4.74 -5.765645938e-01 -5.765645938e-01 4.76 -5.596004630e-01 -5.596004630e-01 4.78 -5.432083885e-01 -5.432083885e-01 4.80 -5.273818196e-01 -5.273818196e-01 4.82 -5.121127267e-01 -5.121127267e-01 4.84 -4.973915778e-01 -4.973915778e-01 4.86 -4.832073459e-01 -4.832073459e-01 4.88 -4.695475478e-01 -4.695475478e-01 4.90 -4.563983137e-01 -4.563983137e-01 4.92 -4.431909422e-01 -4.431909422e-01 4.94 -4.228827417e-01 -4.228827417e-01 4.96 -3.732189968e-01 -3.732189968e-01 4.98 -2.371618658e-01 -2.371618658e-01 5.00 -4.980175514e-22 -4.979520629e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 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0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00