# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2CoMo # 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 2024-04-11 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 2.483628184e+02 2.483628184e+02 1.30 2.295065021e+02 2.295065021e+02 1.32 2.120920636e+02 2.120920636e+02 1.34 1.960007364e+02 1.960007364e+02 1.36 1.811233815e+02 1.811233815e+02 1.38 1.673603077e+02 1.673603077e+02 1.40 1.546209368e+02 1.546209368e+02 1.42 1.428231219e+02 1.428231219e+02 1.44 1.318921429e+02 1.318921429e+02 1.46 1.217597677e+02 1.217597677e+02 1.48 1.123637843e+02 1.123637843e+02 1.50 1.036478578e+02 1.036478578e+02 1.52 9.556121734e+01 9.556121734e+01 1.54 8.805799287e+01 8.805799287e+01 1.56 8.109644262e+01 8.109644262e+01 1.58 7.463828442e+01 7.463828442e+01 1.60 6.864813080e+01 6.864813080e+01 1.62 6.309297541e+01 6.309297541e+01 1.64 5.794175556e+01 5.794175556e+01 1.66 5.316552036e+01 5.316552036e+01 1.68 4.873873995e+01 4.873873995e+01 1.70 4.463598887e+01 4.463598887e+01 1.72 4.083536857e+01 4.083536857e+01 1.74 3.731563108e+01 3.731563108e+01 1.76 3.405572192e+01 3.405572192e+01 1.78 3.103625340e+01 3.103625340e+01 1.80 2.823944901e+01 2.823944901e+01 1.82 2.564911244e+01 2.564911244e+01 1.84 2.325055762e+01 2.325055762e+01 1.86 2.103046865e+01 2.103046865e+01 1.88 1.897669999e+01 1.897669999e+01 1.90 1.707804631e+01 1.707804631e+01 1.92 1.532402144e+01 1.532402144e+01 1.94 1.370468978e+01 1.370468978e+01 1.96 1.221057859e+01 1.221057859e+01 1.98 1.083266634e+01 1.083266634e+01 2.00 9.562414193e+00 9.562414193e+00 2.02 8.391800510e+00 8.391800510e+00 2.04 7.313328571e+00 7.313328571e+00 2.06 6.319997512e+00 6.319997512e+00 2.08 5.405250122e+00 5.405250122e+00 2.10 4.562924997e+00 4.562924997e+00 2.12 3.787235931e+00 3.787235931e+00 2.14 3.072784275e+00 3.072784275e+00 2.16 2.414593096e+00 2.414593096e+00 2.18 1.808143243e+00 1.808143243e+00 2.20 1.249392078e+00 1.249392078e+00 2.22 7.347632781e-01 7.347632781e-01 2.24 2.611071463e-01 2.611071463e-01 2.26 -1.743597025e-01 -1.743597025e-01 2.28 -5.741222646e-01 -5.741222646e-01 2.30 -9.404312225e-01 -9.404312225e-01 2.32 -1.275356324e+00 -1.275356324e+00 2.34 -1.580805020e+00 -1.580805020e+00 2.36 -1.858456861e+00 -1.858456861e+00 2.38 -2.110160449e+00 -2.110160449e+00 2.40 -2.337704627e+00 -2.337704627e+00 2.42 -2.542771466e+00 -2.542771466e+00 2.44 -2.726950541e+00 -2.726950541e+00 2.46 -2.891748968e+00 -2.891748968e+00 2.48 -3.038597944e+00 -3.038597944e+00 2.50 -3.168820107e+00 -3.168820107e+00 2.52 -3.283490225e+00 -3.283490225e+00 2.54 -3.383629308e+00 -3.383629308e+00 2.56 -3.470173302e+00 -3.470173302e+00 2.58 -3.544053318e+00 -3.544053318e+00 2.60 -3.606199426e+00 -3.606199426e+00 2.62 -3.657524969e+00 -3.657524969e+00 2.64 -3.698903816e+00 -3.698903816e+00 2.66 -3.731145710e+00 -3.731145710e+00 2.68 -3.754957282e+00 -3.754957282e+00 2.70 -3.770883542e+00 -3.770883542e+00 2.72 -3.779383570e+00 -3.779383570e+00 2.74 -3.780860498e+00 -3.780860498e+00 2.76 -3.775675093e+00 -3.775675093e+00 2.78 -3.764159746e+00 -3.764159746e+00 2.80 -3.746630563e+00 -3.746630563e+00 2.82 -3.723396906e+00 -3.723396906e+00 2.84 -3.694768800e+00 -3.694768800e+00 2.86 -3.661063139e+00 -3.661063139e+00 2.88 -3.622761182e+00 -3.622761182e+00 2.90 -3.580205991e+00 -3.580205991e+00 2.92 -3.533569627e+00 -3.533569627e+00 2.94 -3.483083975e+00 -3.483083975e+00 2.96 -3.429035390e+00 -3.429035390e+00 2.98 -3.371757596e+00 -3.371757596e+00 3.00 -3.311621925e+00 -3.311621925e+00 3.02 -3.249024360e+00 -3.249024360e+00 3.04 -3.184374192e+00 -3.184374192e+00 3.06 -3.118085804e+00 -3.118085804e+00 3.08 -3.050543343e+00 -3.050543343e+00 3.10 -2.982079997e+00 -2.982079997e+00 3.12 -2.912965860e+00 -2.912965860e+00 3.14 -2.843402594e+00 -2.843402594e+00 3.16 -2.773525327e+00 -2.773525327e+00 3.18 -2.703410840e+00 -2.703410840e+00 3.20 -2.633090078e+00 -2.633090078e+00 3.22 -2.562562877e+00 -2.562562877e+00 3.24 -2.491813077e+00 -2.491813077e+00 3.26 -2.420822769e+00 -2.420822769e+00 3.28 -2.349584944e+00 -2.349584944e+00 3.30 -2.278114180e+00 -2.278114180e+00 3.32 -2.206455153e+00 -2.206455153e+00 3.34 -2.134688750e+00 -2.134688750e+00 3.36 -2.062935565e+00 -2.062935565e+00 3.38 -1.991356478e+00 -1.991356478e+00 3.40 -1.920150128e+00 -1.920150128e+00 3.42 -1.849547264e+00 -1.849547264e+00 3.44 -1.779802212e+00 -1.779802212e+00 3.46 -1.711182072e+00 -1.711182072e+00 3.48 -1.643954512e+00 -1.643954512e+00 3.50 -1.578375281e+00 -1.578375281e+00 3.52 -1.514676595e+00 -1.514676595e+00 3.54 -1.453057426e+00 -1.453057426e+00 3.56 -1.393676476e+00 -1.393676476e+00 3.58 -1.336648214e+00 -1.336648214e+00 3.60 -1.282042003e+00 -1.282042003e+00 3.62 -1.229883974e+00 -1.229883974e+00 3.64 -1.180161085e+00 -1.180161085e+00 3.66 -1.132826689e+00 -1.132826689e+00 3.68 -1.087806903e+00 -1.087806903e+00 3.70 -1.045007178e+00 -1.045007178e+00 3.72 -1.004318569e+00 -1.004318569e+00 3.74 -9.656233702e-01 -9.656233702e-01 3.76 -9.287999088e-01 -9.287999088e-01 3.78 -8.937264053e-01 -8.937264053e-01 3.80 -8.602839188e-01 -8.602839188e-01 3.82 -8.283584409e-01 -8.283584409e-01 3.84 -7.978422496e-01 -7.978422496e-01 3.86 -7.686346539e-01 -7.686346539e-01 3.88 -7.406422573e-01 -7.406422573e-01 3.90 -7.137788675e-01 -7.137788675e-01 3.92 -6.879651595e-01 -6.879651595e-01 3.94 -6.631281919e-01 -6.631281919e-01 3.96 -6.392008424e-01 -6.392008424e-01 3.98 -6.161212417e-01 -6.161212417e-01 4.00 -5.938322441e-01 -5.938322441e-01 4.02 -5.722809785e-01 -5.722809785e-01 4.04 -5.514185129e-01 -5.514185129e-01 4.06 -5.311996538e-01 -5.311996538e-01 4.08 -5.115828987e-01 -5.115828987e-01 4.10 -4.925305461e-01 -4.925305461e-01 4.12 -4.740089743e-01 -4.740089743e-01 4.14 -4.559890310e-01 -4.559890310e-01 4.16 -4.384465441e-01 -4.384465441e-01 4.18 -4.213628496e-01 -4.213628496e-01 4.20 -4.047252591e-01 -4.047252591e-01 4.22 -3.885273537e-01 -3.885273537e-01 4.24 -3.727689813e-01 -3.727689813e-01 4.26 -3.574558473e-01 -3.574558473e-01 4.28 -3.425986312e-01 -3.425986312e-01 4.30 -3.282116217e-01 -3.282116217e-01 4.32 -3.143109514e-01 -3.143109514e-01 4.34 -3.009125877e-01 -3.009125877e-01 4.36 -2.880302965e-01 -2.880302965e-01 4.38 -2.756738113e-01 -2.756738113e-01 4.40 -2.638474078e-01 -2.638474078e-01 4.42 -2.525490185e-01 -2.525490185e-01 4.44 -2.417699303e-01 -2.417699303e-01 4.46 -2.314950251e-01 -2.314950251e-01 4.48 -2.217034564e-01 -2.217034564e-01 4.50 -2.123696222e-01 -2.123696222e-01 4.52 -2.034642879e-01 -2.034642879e-01 4.54 -1.949557304e-01 -1.949557304e-01 4.56 -1.868108089e-01 -1.868108089e-01 4.58 -1.789959007e-01 -1.789959007e-01 4.60 -1.714776763e-01 -1.714776763e-01 4.62 -1.642237141e-01 -1.642237141e-01 4.64 -1.572029750e-01 -1.572029750e-01 4.66 -1.503861671e-01 -1.503861671e-01 4.68 -1.437460358e-01 -1.437460358e-01 4.70 -1.372576152e-01 -1.372576152e-01 4.72 -1.308984697e-01 -1.308984697e-01 4.74 -1.246489491e-01 -1.246489491e-01 4.76 -1.184924716e-01 -1.184924716e-01 4.78 -1.124158358e-01 -1.124158358e-01 4.80 -1.064095514e-01 -1.064095514e-01 4.82 -1.004681704e-01 -1.004681704e-01 4.84 -9.459056766e-02 -9.459056766e-02 4.86 -8.878014645e-02 -8.878014645e-02 4.88 -8.304489682e-02 -8.304489682e-02 4.90 -7.739726323e-02 -7.739726323e-02 4.92 -7.185377666e-02 -7.185377666e-02 4.94 -6.643442842e-02 -6.643442842e-02 4.96 -6.116165356e-02 -6.116165356e-02 4.98 -5.605930111e-02 -5.605930111e-02 5.00 -5.115183577e-02 -5.115183577e-02 5.02 -4.646265865e-02 -4.646265865e-02 5.04 -4.201286233e-02 -4.201286233e-02 5.06 -3.782016402e-02 -3.782016402e-02 5.08 -3.389809100e-02 -3.389809100e-02 5.10 -3.025546567e-02 -3.025546567e-02 5.12 -2.689621174e-02 -2.689621174e-02 5.14 -2.381947040e-02 -2.381947040e-02 5.16 -2.101996762e-02 -2.101996762e-02 5.18 -1.848857498e-02 -1.848857498e-02 5.20 -1.621285250e-02 -1.621285250e-02 5.22 -1.417785146e-02 -1.417785146e-02 5.24 -1.236738668e-02 -1.236738668e-02 5.26 -1.076418394e-02 -1.076418394e-02 5.28 -9.350491635e-03 -9.350491635e-03 5.30 -8.108615162e-03 -8.108615162e-03 5.32 -7.021339987e-03 -7.021339987e-03 5.34 -6.072247528e-03 -6.072247528e-03 5.36 -5.245934098e-03 -5.245934098e-03 5.38 -4.528146617e-03 -4.528146617e-03 5.40 -3.905850096e-03 -3.905850096e-03 5.42 -3.367241642e-03 -3.367241642e-03 5.44 -2.901724456e-03 -2.901724456e-03 5.46 -2.499853522e-03 -2.499853522e-03 5.48 -2.153262665e-03 -2.153262665e-03 5.50 -1.854580716e-03 -1.854580716e-03 5.52 -1.597342713e-03 -1.597342713e-03 5.54 -1.375900522e-03 -1.375900522e-03 5.56 -1.185335961e-03 -1.185335961e-03 5.58 -1.021378492e-03 -1.021378492e-03 5.60 -8.803287466e-04 -8.803287466e-04 5.62 -7.589885212e-04 -7.589885212e-04 5.64 -6.545974915e-04 -6.545974915e-04 5.66 -5.647765392e-04 -5.647765392e-04 5.68 -4.874774140e-04 -4.874774140e-04 5.70 -4.209383168e-04 -4.209383168e-04 5.72 -3.636449213e-04 -3.636449213e-04 5.74 -3.142963243e-04 -3.142963243e-04 5.76 -2.717754141e-04 -2.717754141e-04 5.78 -2.351231673e-04 -2.351231673e-04 5.80 -2.035164095e-04 -2.035164095e-04 5.82 -1.762486188e-04 -1.762486188e-04 5.84 -1.527133828e-04 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