# 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 = AlMoPb2 # 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 3.264934649e+02 3.264934649e+02 1.30 3.052470177e+02 3.052470177e+02 1.32 2.854441335e+02 2.854441335e+02 1.34 2.669765069e+02 2.669765069e+02 1.36 2.497484446e+02 2.497484446e+02 1.38 2.336731126e+02 2.336731126e+02 1.40 2.186694408e+02 2.186694408e+02 1.42 2.046604488e+02 2.046604488e+02 1.44 1.915729509e+02 1.915729509e+02 1.46 1.793381604e+02 1.793381604e+02 1.48 1.678923647e+02 1.678923647e+02 1.50 1.571769917e+02 1.571769917e+02 1.52 1.471381629e+02 1.471381629e+02 1.54 1.377263635e+02 1.377263635e+02 1.56 1.288962914e+02 1.288962914e+02 1.58 1.206066718e+02 1.206066718e+02 1.60 1.128198748e+02 1.128198748e+02 1.62 1.055015275e+02 1.055015275e+02 1.64 9.862021875e+01 9.862021875e+01 1.66 9.214733904e+01 9.214733904e+01 1.68 8.605687907e+01 8.605687907e+01 1.70 8.032509905e+01 8.032509905e+01 1.72 7.493056769e+01 7.493056769e+01 1.74 6.985521210e+01 6.985521210e+01 1.76 6.508985638e+01 6.508985638e+01 1.78 6.062630453e+01 6.062630453e+01 1.80 5.644892718e+01 5.644892718e+01 1.82 5.254226673e+01 5.254226673e+01 1.84 4.889131911e+01 4.889131911e+01 1.86 4.548116088e+01 4.548116088e+01 1.88 4.229682638e+01 4.229682638e+01 1.90 3.932339575e+01 3.932339575e+01 1.92 3.654622077e+01 3.654622077e+01 1.94 3.395124073e+01 3.395124073e+01 1.96 3.152526752e+01 3.152526752e+01 1.98 2.925618031e+01 2.925618031e+01 2.00 2.713295687e+01 2.713295687e+01 2.02 2.514555485e+01 2.514555485e+01 2.04 2.328471690e+01 2.328471690e+01 2.06 2.154179758e+01 2.154179758e+01 2.08 1.990866903e+01 1.990866903e+01 2.10 1.837769236e+01 1.837769236e+01 2.12 1.694174095e+01 1.694174095e+01 2.14 1.559422569e+01 1.559422569e+01 2.16 1.432911314e+01 1.432911314e+01 2.18 1.314092481e+01 1.314092481e+01 2.20 1.202470975e+01 1.202470975e+01 2.22 1.097600288e+01 1.097600288e+01 2.24 9.990768604e+00 9.990768604e+00 2.26 9.065339788e+00 9.065339788e+00 2.28 8.196360878e+00 8.196360878e+00 2.30 7.380732163e+00 7.380732163e+00 2.32 6.615562151e+00 6.615562151e+00 2.34 5.898136794e+00 5.898136794e+00 2.36 5.225882125e+00 5.225882125e+00 2.38 4.596339441e+00 4.596339441e+00 2.40 4.007144469e+00 4.007144469e+00 2.42 3.456014713e+00 3.456014713e+00 2.44 2.940744748e+00 2.940744748e+00 2.46 2.459212522e+00 2.459212522e+00 2.48 2.009392318e+00 2.009392318e+00 2.50 1.589371727e+00 1.589371727e+00 2.52 1.197417592e+00 1.197417592e+00 2.54 8.319510329e-01 8.319510329e-01 2.56 4.913753636e-01 4.913753636e-01 2.58 1.742388066e-01 1.742388066e-01 2.60 -1.207809318e-01 -1.207809318e-01 2.62 -3.949034832e-01 -3.949034832e-01 2.64 -6.492761698e-01 -6.492761698e-01 2.66 -8.849871293e-01 -8.849871293e-01 2.68 -1.103081107e+00 -1.103081107e+00 2.70 -1.304558382e+00 -1.304558382e+00 2.72 -1.490302452e+00 -1.490302452e+00 2.74 -1.661098120e+00 -1.661098120e+00 2.76 -1.817707374e+00 -1.817707374e+00 2.78 -1.960866260e+00 -1.960866260e+00 2.80 -2.091281045e+00 -2.091281045e+00 2.82 -2.209853980e+00 -2.209853980e+00 2.84 -2.317952371e+00 -2.317952371e+00 2.86 -2.415907089e+00 -2.415907089e+00 2.88 -2.503953977e+00 -2.503953977e+00 2.90 -2.582336862e+00 -2.582336862e+00 2.92 -2.651311657e+00 -2.651311657e+00 2.94 -2.711153466e+00 -2.711153466e+00 2.96 -2.762171328e+00 -2.762171328e+00 2.98 -2.804740430e+00 -2.804740430e+00 3.00 -2.839284856e+00 -2.839284856e+00 3.02 -2.866269434e+00 -2.866269434e+00 3.04 -2.886198042e+00 -2.886198042e+00 3.06 -2.899608332e+00 -2.899608332e+00 3.08 -2.907055798e+00 -2.907055798e+00 3.10 -2.909099146e+00 -2.909099146e+00 3.12 -2.906280387e+00 -2.906280387e+00 3.14 -2.899114019e+00 -2.899114019e+00 3.16 -2.888065872e+00 -2.888065872e+00 3.18 -2.873551611e+00 -2.873551611e+00 3.20 -2.855931773e+00 -2.855931773e+00 3.22 -2.835511877e+00 -2.835511877e+00 3.24 -2.812545064e+00 -2.812545064e+00 3.26 -2.787236772e+00 -2.787236772e+00 3.28 -2.759751288e+00 -2.759751288e+00 3.30 -2.730228680e+00 -2.730228680e+00 3.32 -2.698861637e+00 -2.698861637e+00 3.34 -2.665674435e+00 -2.665674435e+00 3.36 -2.630657666e+00 -2.630657666e+00 3.38 -2.593827277e+00 -2.593827277e+00 3.40 -2.555231730e+00 -2.555231730e+00 3.42 -2.514957769e+00 -2.514957769e+00 3.44 -2.473126544e+00 -2.473126544e+00 3.46 -2.429861776e+00 -2.429861776e+00 3.48 -2.385307866e+00 -2.385307866e+00 3.50 -2.339647643e+00 -2.339647643e+00 3.52 -2.293092109e+00 -2.293092109e+00 3.54 -2.245868784e+00 -2.245868784e+00 3.56 -2.198210048e+00 -2.198210048e+00 3.58 -2.150342629e+00 -2.150342629e+00 3.60 -2.102479076e+00 -2.102479076e+00 3.62 -2.054811707e+00 -2.054811707e+00 3.64 -2.007509102e+00 -2.007509102e+00 3.66 -1.960714861e+00 -1.960714861e+00 3.68 -1.914548113e+00 -1.914548113e+00 3.70 -1.869105163e+00 -1.869105163e+00 3.72 -1.824461655e+00 -1.824461655e+00 3.74 -1.780674789e+00 -1.780674789e+00 3.76 -1.737785291e+00 -1.737785291e+00 3.78 -1.695819047e+00 -1.695819047e+00 3.80 -1.654788486e+00 -1.654788486e+00 3.82 -1.614693853e+00 -1.614693853e+00 3.84 -1.575524561e+00 -1.575524561e+00 3.86 -1.537260707e+00 -1.537260707e+00 3.88 -1.499874783e+00 -1.499874783e+00 3.90 -1.463333498e+00 -1.463333498e+00 3.92 -1.427598865e+00 -1.427598865e+00 3.94 -1.392632969e+00 -1.392632969e+00 3.96 -1.358394577e+00 -1.358394577e+00 3.98 -1.324843707e+00 -1.324843707e+00 4.00 -1.291941589e+00 -1.291941589e+00 4.02 -1.259651267e+00 -1.259651267e+00 4.04 -1.227938002e+00 -1.227938002e+00 4.06 -1.196769553e+00 -1.196769553e+00 4.08 -1.166116435e+00 -1.166116435e+00 4.10 -1.135949853e+00 -1.135949853e+00 4.12 -1.106251901e+00 -1.106251901e+00 4.14 -1.077000623e+00 -1.077000623e+00 4.16 -1.048181459e+00 -1.048181459e+00 4.18 -1.019785055e+00 -1.019785055e+00 4.20 -9.918079238e-01 -9.918079238e-01 4.22 -9.642529824e-01 -9.642529824e-01 4.24 -9.371298188e-01 -9.371298188e-01 4.26 -9.104545710e-01 -9.104545710e-01 4.28 -8.842493029e-01 -8.842493029e-01 4.30 -8.585408332e-01 -8.585408332e-01 4.32 -8.333590437e-01 -8.333590437e-01 4.34 -8.087347845e-01 -8.087347845e-01 4.36 -7.846975715e-01 -7.846975715e-01 4.38 -7.612733141e-01 -7.612733141e-01 4.40 -7.384823222e-01 -7.384823222e-01 4.42 -7.163377934e-01 -7.163377934e-01 4.44 -6.948449069e-01 -6.948449069e-01 4.46 -6.740005586e-01 -6.740005586e-01 4.48 -6.537936787e-01 -6.537936787e-01 4.50 -6.342060143e-01 -6.342060143e-01 4.52 -6.152132209e-01 -6.152132209e-01 4.54 -5.967861077e-01 -5.967861077e-01 4.56 -5.788919027e-01 -5.788919027e-01 4.58 -5.614954392e-01 -5.614954392e-01 4.60 -5.445602037e-01 -5.445602037e-01 4.62 -5.280492254e-01 -5.280492254e-01 4.64 -5.119258091e-01 -5.119258091e-01 4.66 -4.961541401e-01 -4.961541401e-01 4.68 -4.806997942e-01 -4.806997942e-01 4.70 -4.655301923e-01 -4.655301923e-01 4.72 -4.506150357e-01 -4.506150357e-01 4.74 -4.359267512e-01 -4.359267512e-01 4.76 -4.214409650e-01 -4.214409650e-01 4.78 -4.071370123e-01 -4.071370123e-01 4.80 -3.929970068e-01 -3.929970068e-01 4.82 -3.790124755e-01 -3.790124755e-01 4.84 -3.651753364e-01 -3.651753364e-01 4.86 -3.514849473e-01 -3.514849473e-01 4.88 -3.379466273e-01 -3.379466273e-01 4.90 -3.245717022e-01 -3.245717022e-01 4.92 -3.113772760e-01 -3.113772760e-01 4.94 -2.983856879e-01 -2.983856879e-01 4.96 -2.856236427e-01 -2.856236427e-01 4.98 -2.731210396e-01 -2.731210396e-01 5.00 -2.609095600e-01 -2.609095600e-01 5.02 -2.490211152e-01 -2.490211152e-01 5.04 -2.374862734e-01 -2.374862734e-01 5.06 -2.263327999e-01 -2.263327999e-01 5.08 -2.155844266e-01 -2.155844266e-01 5.10 -2.052599462e-01 -2.052599462e-01 5.12 -1.953726817e-01 -1.953726817e-01 5.14 -1.859303379e-01 -1.859303379e-01 5.16 -1.769352006e-01 -1.769352006e-01 5.18 -1.683846152e-01 -1.683846152e-01 5.20 -1.602716603e-01 -1.602716603e-01 5.22 -1.525859117e-01 -1.525859117e-01 5.24 -1.453142365e-01 -1.453142365e-01 5.26 -1.384415312e-01 -1.384415312e-01 5.28 -1.319513637e-01 -1.319513637e-01 5.30 -1.258264824e-01 -1.258264824e-01 5.32 -1.200492027e-01 -1.200492027e-01 5.34 -1.146016812e-01 -1.146016812e-01 5.36 -1.094660962e-01 -1.094660962e-01 5.38 -1.046247207e-01 -1.046247207e-01 5.40 -1.000590923e-01 -1.000590923e-01 5.42 -9.575221951e-02 -9.575221951e-02 5.44 -9.168778475e-02 -9.168778475e-02 5.46 -8.784955844e-02 -8.784955844e-02 5.48 -8.422154136e-02 -8.422154136e-02 5.50 -8.078809078e-02 -8.078809078e-02 5.52 -7.753403182e-02 -7.753403182e-02 5.54 -7.444475338e-02 -7.444475338e-02 5.56 -7.150628725e-02 -7.150628725e-02 5.58 -6.870536971e-02 -6.870536971e-02 5.60 -6.602948545e-02 -6.602948545e-02 5.62 -6.346689494e-02 -6.346689494e-02 5.64 -6.100664726e-02 -6.100664726e-02 5.66 -5.863858098e-02 -5.863858098e-02 5.68 -5.635331614e-02 -5.635331614e-02 5.70 -5.414224060e-02 -5.414224060e-02 5.72 -5.199749359e-02 -5.199749359e-02 5.74 -4.991194933e-02 -4.991194933e-02 5.76 -4.787920257e-02 -4.787920257e-02 5.78 -4.589355774e-02 -4.589355774e-02 5.80 -4.395002452e-02 -4.395002452e-02 5.82 -4.204431625e-02 -4.204431625e-02 5.84 -4.017285345e-02 -4.017285345e-02 5.86 -3.833277081e-02 -3.833277081e-02 5.88 -3.652192558e-02 -3.652192558e-02 5.90 -3.473890483e-02 -3.473890483e-02 5.92 -3.298302842e-02 -3.298302842e-02 5.94 -3.125434446e-02 -3.125434446e-02 5.96 -2.955361345e-02 -2.955361345e-02 5.98 -2.788227440e-02 -2.788227440e-02 6.00 -2.624239809e-02 -2.624239809e-02