# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCu2Ni # 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 3.630876703e+02 3.630876703e+02 1.00 3.318199388e+02 3.318199388e+02 1.02 3.034357588e+02 3.034357588e+02 1.04 2.776437254e+02 2.776437254e+02 1.06 2.541786216e+02 2.541786216e+02 1.08 2.328200010e+02 2.328200010e+02 1.10 2.133616619e+02 2.133616619e+02 1.12 1.956214374e+02 1.956214374e+02 1.14 1.794338133e+02 1.794338133e+02 1.16 1.646546748e+02 1.646546748e+02 1.18 1.511535229e+02 1.511535229e+02 1.20 1.388135334e+02 1.388135334e+02 1.22 1.275254193e+02 1.275254193e+02 1.24 1.171981476e+02 1.171981476e+02 1.26 1.077429977e+02 1.077429977e+02 1.28 9.908119280e+01 9.908119280e+01 1.30 9.114043241e+01 9.114043241e+01 1.32 8.385426360e+01 8.385426360e+01 1.34 7.716606297e+01 7.716606297e+01 1.36 7.102314972e+01 7.102314972e+01 1.38 6.537633526e+01 6.537633526e+01 1.40 6.018503198e+01 6.018503198e+01 1.42 5.540757499e+01 5.540757499e+01 1.44 5.100696211e+01 5.100696211e+01 1.46 4.695012147e+01 4.695012147e+01 1.48 4.320923249e+01 4.320923249e+01 1.50 3.975926579e+01 3.975926579e+01 1.52 3.657583641e+01 3.657583641e+01 1.54 3.363598974e+01 3.363598974e+01 1.56 3.092072129e+01 3.092072129e+01 1.58 2.841166290e+01 2.841166290e+01 1.60 2.609212359e+01 2.609212359e+01 1.62 2.394536272e+01 2.394536272e+01 1.64 2.195893525e+01 2.195893525e+01 1.66 2.011971795e+01 2.011971795e+01 1.68 1.841646407e+01 1.841646407e+01 1.70 1.683940906e+01 1.683940906e+01 1.72 1.537903782e+01 1.537903782e+01 1.74 1.400671767e+01 1.400671767e+01 1.76 1.274440900e+01 1.274440900e+01 1.78 1.156348447e+01 1.156348447e+01 1.80 1.046082933e+01 1.046082933e+01 1.82 9.432185114e+00 9.432185114e+00 1.84 8.436822278e+00 8.436822278e+00 1.86 7.521361745e+00 7.521361745e+00 1.88 6.653991871e+00 6.653991871e+00 1.90 5.832935665e+00 5.832935665e+00 1.92 5.056011619e+00 5.056011619e+00 1.94 4.320716439e+00 4.320716439e+00 1.96 3.627970454e+00 3.627970454e+00 1.98 2.975753460e+00 2.975753460e+00 2.00 2.363067657e+00 2.363067657e+00 2.02 1.788913871e+00 1.788913871e+00 2.04 1.252279106e+00 1.252279106e+00 2.06 7.517421210e-01 7.517421210e-01 2.08 2.856048971e-01 2.856048971e-01 2.10 -1.476168365e-01 -1.476168365e-01 2.12 -5.490955836e-01 -5.490955836e-01 2.14 -9.201795021e-01 -9.201795021e-01 2.16 -1.262634472e+00 -1.262634472e+00 2.18 -1.577468462e+00 -1.577468462e+00 2.20 -1.865867150e+00 -1.865867150e+00 2.22 -2.129248984e+00 -2.129248984e+00 2.24 -2.368388070e+00 -2.368388070e+00 2.26 -2.583863491e+00 -2.583863491e+00 2.28 -2.778188395e+00 -2.778188395e+00 2.30 -2.952540890e+00 -2.952540890e+00 2.32 -3.107895303e+00 -3.107895303e+00 2.34 -3.245363642e+00 -3.245363642e+00 2.36 -3.366206286e+00 -3.366206286e+00 2.38 -3.471463333e+00 -3.471463333e+00 2.40 -3.562136455e+00 -3.562136455e+00 2.42 -3.639326785e+00 -3.639326785e+00 2.44 -3.703838514e+00 -3.703838514e+00 2.46 -3.756552009e+00 -3.756552009e+00 2.48 -3.797752770e+00 -3.797752770e+00 2.50 -3.829078679e+00 -3.829078679e+00 2.52 -3.851313759e+00 -3.851313759e+00 2.54 -3.865008633e+00 -3.865008633e+00 2.56 -3.870684292e+00 -3.870684292e+00 2.58 -3.868951699e+00 -3.868951699e+00 2.60 -3.861670414e+00 -3.861670414e+00 2.62 -3.848492615e+00 -3.848492615e+00 2.64 -3.829611312e+00 -3.829611312e+00 2.66 -3.805532272e+00 -3.805532272e+00 2.68 -3.776729630e+00 -3.776729630e+00 2.70 -3.743647564e+00 -3.743647564e+00 2.72 -3.706701086e+00 -3.706701086e+00 2.74 -3.666217286e+00 -3.666217286e+00 2.76 -3.622196709e+00 -3.622196709e+00 2.78 -3.575445489e+00 -3.575445489e+00 2.80 -3.526299787e+00 -3.526299787e+00 2.82 -3.474431448e+00 -3.474431448e+00 2.84 -3.419588087e+00 -3.419588087e+00 2.86 -3.363248892e+00 -3.363248892e+00 2.88 -3.305592403e+00 -3.305592403e+00 2.90 -3.246840218e+00 -3.246840218e+00 2.92 -3.187318423e+00 -3.187318423e+00 2.94 -3.127054001e+00 -3.127054001e+00 2.96 -3.066501803e+00 -3.066501803e+00 2.98 -3.005519393e+00 -3.005519393e+00 3.00 -2.944004994e+00 -2.944004994e+00 3.02 -2.882217302e+00 -2.882217302e+00 3.04 -2.820761045e+00 -2.820761045e+00 3.06 -2.759854778e+00 -2.759854778e+00 3.08 -2.699063212e+00 -2.699063212e+00 3.10 -2.638486281e+00 -2.638486281e+00 3.12 -2.578208073e+00 -2.578208073e+00 3.14 -2.518305016e+00 -2.518305016e+00 3.16 -2.458846412e+00 -2.458846412e+00 3.18 -2.399894936e+00 -2.399894936e+00 3.20 -2.341507103e+00 -2.341507103e+00 3.22 -2.283733712e+00 -2.283733712e+00 3.24 -2.226620315e+00 -2.226620315e+00 3.26 -2.170207480e+00 -2.170207480e+00 3.28 -2.114531210e+00 -2.114531210e+00 3.30 -2.059623378e+00 -2.059623378e+00 3.32 -2.005511640e+00 -2.005511640e+00 3.34 -1.952216445e+00 -1.952216445e+00 3.36 -1.899780867e+00 -1.899780867e+00 3.38 -1.848187855e+00 -1.848187855e+00 3.40 -1.797417273e+00 -1.797417273e+00 3.42 -1.747585051e+00 -1.747585051e+00 3.44 -1.698319136e+00 -1.698319136e+00 3.46 -1.649687429e+00 -1.649687429e+00 3.48 -1.601953124e+00 -1.601953124e+00 3.50 -1.555189207e+00 -1.555189207e+00 3.52 -1.509357158e+00 -1.509357158e+00 3.54 -1.464449152e+00 -1.464449152e+00 3.56 -1.420464172e+00 -1.420464172e+00 3.58 -1.377403817e+00 -1.377403817e+00 3.60 -1.335268001e+00 -1.335268001e+00 3.62 -1.294051874e+00 -1.294051874e+00 3.64 -1.253735373e+00 -1.253735373e+00 3.66 -1.214295947e+00 -1.214295947e+00 3.68 -1.175716212e+00 -1.175716212e+00 3.70 -1.137991421e+00 -1.137991421e+00 3.72 -1.101119419e+00 -1.101119419e+00 3.74 -1.065096949e+00 -1.065096949e+00 3.76 -1.029924941e+00 -1.029924941e+00 3.78 -9.955895991e-01 -9.955895991e-01 3.80 -9.620702144e-01 -9.620702144e-01 3.82 -9.293556503e-01 -9.293556503e-01 3.84 -8.974398455e-01 -8.974398455e-01 3.86 -8.663295788e-01 -8.663295788e-01 3.88 -8.359835818e-01 -8.359835818e-01 3.90 -8.062912603e-01 -8.062912603e-01 3.92 -7.772820105e-01 -7.772820105e-01 3.94 -7.489595193e-01 -7.489595193e-01 3.96 -7.214159093e-01 -7.214159093e-01 3.98 -6.947271844e-01 -6.947271844e-01 4.00 -6.689476382e-01 -6.689476382e-01 4.02 -6.441473820e-01 -6.441473820e-01 4.04 -6.204494883e-01 -6.204494883e-01 4.06 -5.976625812e-01 -5.976625812e-01 4.08 -5.756533874e-01 -5.756533874e-01 4.10 -5.541752051e-01 -5.541752051e-01 4.12 -5.330137772e-01 -5.330137772e-01 4.14 -5.120198550e-01 -5.120198550e-01 4.16 -4.911556620e-01 -4.911556620e-01 4.18 -4.707521161e-01 -4.707521161e-01 4.20 -4.503310632e-01 -4.503310632e-01 4.22 -4.298956705e-01 -4.298956705e-01 4.24 -4.094445694e-01 -4.094445694e-01 4.26 -3.889392339e-01 -3.889392339e-01 4.28 -3.684208445e-01 -3.684208445e-01 4.30 -3.489651356e-01 -3.489651356e-01 4.32 -3.301399398e-01 -3.301399398e-01 4.34 -3.116480713e-01 -3.116480713e-01 4.36 -2.935967837e-01 -2.935967837e-01 4.38 -2.760603449e-01 -2.760603449e-01 4.40 -2.590933497e-01 -2.590933497e-01 4.42 -2.427341556e-01 -2.427341556e-01 4.44 -2.270077713e-01 -2.270077713e-01 4.46 -2.119282986e-01 -2.119282986e-01 4.48 -1.975010000e-01 -1.975010000e-01 4.50 -1.837240249e-01 -1.837240249e-01 4.52 -1.705898640e-01 -1.705898640e-01 4.54 -1.580865663e-01 -1.580865663e-01 4.56 -1.461987568e-01 -1.461987568e-01 4.58 -1.349084797e-01 -1.349084797e-01 4.60 -1.241958921e-01 -1.241958921e-01 4.62 -1.140398404e-01 -1.140398404e-01 4.64 -1.044183305e-01 -1.044183305e-01 4.66 -9.530891273e-02 -9.530891273e-02 4.68 -8.668898896e-02 -8.668898896e-02 4.70 -7.853605995e-02 -7.853605995e-02 4.72 -7.082792037e-02 -7.082792037e-02 4.74 -6.354281107e-02 -6.354281107e-02 4.76 -5.665953877e-02 -5.665953877e-02 4.78 -5.015990197e-02 -5.015990197e-02 4.80 -4.402123839e-02 -4.402123839e-02 4.82 -3.893606598e-02 -3.893606598e-02 4.84 -3.419520992e-02 -3.419520992e-02 4.86 -2.971301037e-02 -2.971301037e-02 4.88 -2.547584960e-02 -2.547584960e-02 4.90 -2.147069151e-02 -2.147069151e-02 4.92 -1.768434649e-02 -1.768434649e-02 4.94 -1.401358579e-02 -1.401358579e-02 4.96 -1.186115057e-02 -1.186115057e-02 4.98 -1.111156757e-02 -1.111156757e-02 5.00 -1.031965375e-02 -1.031965375e-02 5.02 -9.572749946e-03 -9.572749946e-03 5.04 -8.869005853e-03 -8.869005853e-03 5.06 -8.206012769e-03 -8.206012769e-03 5.08 -7.581490702e-03 -7.581490702e-03 5.10 -6.993282002e-03 -6.993282002e-03 5.12 -6.439345281e-03 -6.439345281e-03 5.14 -5.917749517e-03 -5.917749517e-03 5.16 -5.426668381e-03 -5.426668381e-03 5.18 -4.964374869e-03 -4.964374869e-03 5.20 -4.529236178e-03 -4.529236178e-03 5.22 -4.119708842e-03 -4.119708842e-03 5.24 -3.734334018e-03 -3.734334018e-03 5.26 -3.371733030e-03 -3.371733030e-03 5.28 -3.030603149e-03 -3.030603149e-03 5.30 -2.709713597e-03 -2.709713597e-03 5.32 -2.407901733e-03 -2.407901733e-03 5.34 -2.124069386e-03 -2.124069386e-03 5.36 -1.857179419e-03 -1.857179419e-03 5.38 -1.606252461e-03 -1.606252461e-03 5.40 -1.370363835e-03 -1.370363835e-03 5.42 -1.148640593e-03 -1.148640593e-03 5.44 -9.402587178e-04 -9.402587178e-04 5.46 -7.444404734e-04 -7.444404734e-04 5.48 -5.604519152e-04 -5.604519152e-04 5.50 -3.876005235e-04 -3.876005235e-04 5.52 -2.252329286e-04 -2.252329286e-04 5.54 -7.175383578e-05 -7.175383578e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 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