# 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 = Ag2FeW # 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 3.154333405e+02 3.154333405e+02 1.30 2.908030529e+02 2.908030529e+02 1.32 2.681045428e+02 2.681045428e+02 1.34 2.471743343e+02 2.471743343e+02 1.36 2.278637051e+02 2.278637051e+02 1.38 2.100380071e+02 2.100380071e+02 1.40 1.935759375e+02 1.935759375e+02 1.42 1.783683158e+02 1.783683158e+02 1.44 1.643164048e+02 1.643164048e+02 1.46 1.513301780e+02 1.513301780e+02 1.48 1.393270527e+02 1.393270527e+02 1.50 1.282312472e+02 1.282312472e+02 1.52 1.179734167e+02 1.179734167e+02 1.54 1.084901675e+02 1.084901675e+02 1.56 9.972341324e+01 9.972341324e+01 1.58 9.161973571e+01 9.161973571e+01 1.60 8.412981006e+01 8.412981006e+01 1.62 7.720786495e+01 7.720786495e+01 1.64 7.081119128e+01 7.081119128e+01 1.66 6.489977688e+01 6.489977688e+01 1.68 5.943623562e+01 5.943623562e+01 1.70 5.438628594e+01 5.438628594e+01 1.72 4.971768016e+01 4.971768016e+01 1.74 4.540064072e+01 4.540064072e+01 1.76 4.140781696e+01 4.140781696e+01 1.78 3.771562789e+01 3.771562789e+01 1.80 3.430393116e+01 3.430393116e+01 1.82 3.115187616e+01 3.115187616e+01 1.84 2.824040939e+01 2.824040939e+01 1.86 2.555218270e+01 2.555218270e+01 1.88 2.307134075e+01 2.307134075e+01 1.90 2.078327948e+01 2.078327948e+01 1.92 1.867439878e+01 1.867439878e+01 1.94 1.673188409e+01 1.673188409e+01 1.96 1.494355324e+01 1.494355324e+01 1.98 1.329778878e+01 1.329778878e+01 2.00 1.178354776e+01 1.178354776e+01 2.02 1.039041526e+01 1.039041526e+01 2.04 9.108657284e+00 9.108657284e+00 2.06 7.929238096e+00 7.929238096e+00 2.08 6.843793592e+00 6.843793592e+00 2.10 5.844580008e+00 5.844580008e+00 2.12 4.924428136e+00 4.924428136e+00 2.14 4.076723249e+00 4.076723249e+00 2.16 3.295411257e+00 3.295411257e+00 2.18 2.575015681e+00 2.575015681e+00 2.20 1.910645093e+00 1.910645093e+00 2.22 1.297982881e+00 1.297982881e+00 2.24 7.333480179e-01 7.333480179e-01 2.26 2.132858985e-01 2.132858985e-01 2.28 -2.653196467e-01 -2.653196467e-01 2.30 -7.052289028e-01 -7.052289028e-01 2.32 -1.108925106e+00 -1.108925106e+00 2.34 -1.478675471e+00 -1.478675471e+00 2.36 -1.816534849e+00 -1.816534849e+00 2.38 -2.124129984e+00 -2.124129984e+00 2.40 -2.402936870e+00 -2.402936870e+00 2.42 -2.654438848e+00 -2.654438848e+00 2.44 -2.880106952e+00 -2.880106952e+00 2.46 -3.081388990e+00 -3.081388990e+00 2.48 -3.259705685e+00 -3.259705685e+00 2.50 -3.416451267e+00 -3.416451267e+00 2.52 -3.552996247e+00 -3.552996247e+00 2.54 -3.670690591e+00 -3.670690591e+00 2.56 -3.770865718e+00 -3.770865718e+00 2.58 -3.854833447e+00 -3.854833447e+00 2.60 -3.923879531e+00 -3.923879531e+00 2.62 -3.979249966e+00 -3.979249966e+00 2.64 -4.022130733e+00 -4.022130733e+00 2.66 -4.053625134e+00 -4.053625134e+00 2.68 -4.074735453e+00 -4.074735453e+00 2.70 -4.086355338e+00 -4.086355338e+00 2.72 -4.089278774e+00 -4.089278774e+00 2.74 -4.084203795e+00 -4.084203795e+00 2.76 -4.071762550e+00 -4.071762550e+00 2.78 -4.052547360e+00 -4.052547360e+00 2.80 -4.027129075e+00 -4.027129075e+00 2.82 -3.996069141e+00 -3.996069141e+00 2.84 -3.959919013e+00 -3.959919013e+00 2.86 -3.919068519e+00 -3.919068519e+00 2.88 -3.873750403e+00 -3.873750403e+00 2.90 -3.824214156e+00 -3.824214156e+00 2.92 -3.770765136e+00 -3.770765136e+00 2.94 -3.713895742e+00 -3.713895742e+00 2.96 -3.653735826e+00 -3.653735826e+00 2.98 -3.590397333e+00 -3.590397333e+00 3.00 -3.524055747e+00 -3.524055747e+00 3.02 -3.454941132e+00 -3.454941132e+00 3.04 -3.383325392e+00 -3.383325392e+00 3.06 -3.309505637e+00 -3.309505637e+00 3.08 -3.233794729e+00 -3.233794729e+00 3.10 -3.156512501e+00 -3.156512501e+00 3.12 -3.077946011e+00 -3.077946011e+00 3.14 -2.998334614e+00 -2.998334614e+00 3.16 -2.917865209e+00 -2.917865209e+00 3.18 -2.836674568e+00 -2.836674568e+00 3.20 -2.754857694e+00 -2.754857694e+00 3.22 -2.672480378e+00 -2.672480378e+00 3.24 -2.589593738e+00 -2.589593738e+00 3.26 -2.506248792e+00 -2.506248792e+00 3.28 -2.422509533e+00 -2.422509533e+00 3.30 -2.338463619e+00 -2.338463619e+00 3.32 -2.254230237e+00 -2.254230237e+00 3.34 -2.169965084e+00 -2.169965084e+00 3.36 -2.085862542e+00 -2.085862542e+00 3.38 -2.002155174e+00 -2.002155174e+00 3.40 -1.919110621e+00 -1.919110621e+00 3.42 -1.837025928e+00 -1.837025928e+00 3.44 -1.756219393e+00 -1.756219393e+00 3.46 -1.677020182e+00 -1.677020182e+00 3.48 -1.599756204e+00 -1.599756204e+00 3.50 -1.524741072e+00 -1.524741072e+00 3.52 -1.452261164e+00 -1.452261164e+00 3.54 -1.382563972e+00 -1.382563972e+00 3.56 -1.315848772e+00 -1.315848772e+00 3.58 -1.252260449e+00 -1.252260449e+00 3.60 -1.191886843e+00 -1.191886843e+00 3.62 -1.134759610e+00 -1.134759610e+00 3.64 -1.080858148e+00 -1.080858148e+00 3.66 -1.030115887e+00 -1.030115887e+00 3.68 -9.824281063e-01 -9.824281063e-01 3.70 -9.376604172e-01 -9.376604172e-01 3.72 -8.956572023e-01 -8.956572023e-01 3.74 -8.562494292e-01 -8.562494292e-01 3.76 -8.192614747e-01 -8.192614747e-01 3.78 -7.845167645e-01 -7.845167645e-01 3.80 -7.518421849e-01 -7.518421849e-01 3.82 -7.210713268e-01 -7.210713268e-01 3.84 -6.920466962e-01 -6.920466962e-01 3.86 -6.646210546e-01 -6.646210546e-01 3.88 -6.386580662e-01 -6.386580662e-01 3.90 -6.140324178e-01 -6.140324178e-01 3.92 -5.906295605e-01 -5.906295605e-01 3.94 -5.683452010e-01 -5.683452010e-01 3.96 -5.470846354e-01 -5.470846354e-01 3.98 -5.267620191e-01 -5.267620191e-01 4.00 -5.072996218e-01 -5.072996218e-01 4.02 -4.886271180e-01 -4.886271180e-01 4.04 -4.706809440e-01 -4.706809440e-01 4.06 -4.534037449e-01 -4.534037449e-01 4.08 -4.367439254e-01 -4.367439254e-01 4.10 -4.206553095e-01 -4.206553095e-01 4.12 -4.050969235e-01 -4.050969235e-01 4.14 -3.900328539e-01 -3.900328539e-01 4.16 -3.754322155e-01 -3.754322155e-01 4.18 -3.612691566e-01 -3.612691566e-01 4.20 -3.475228773e-01 -3.475228773e-01 4.22 -3.341776038e-01 -3.341776038e-01 4.24 -3.212224599e-01 -3.212224599e-01 4.26 -3.086511763e-01 -3.086511763e-01 4.28 -2.964615898e-01 -2.964615898e-01 4.30 -2.846549053e-01 -2.846549053e-01 4.32 -2.732347294e-01 -2.732347294e-01 4.34 -2.622059209e-01 -2.622059209e-01 4.36 -2.515733427e-01 -2.515733427e-01 4.38 -2.413406235e-01 -2.413406235e-01 4.40 -2.315090524e-01 -2.315090524e-01 4.42 -2.220767130e-01 -2.220767130e-01 4.44 -2.130379294e-01 -2.130379294e-01 4.46 -2.043830263e-01 -2.043830263e-01 4.48 -1.960980072e-01 -1.960980072e-01 4.50 -1.881660789e-01 -1.881660789e-01 4.52 -1.805676819e-01 -1.805676819e-01 4.54 -1.732808883e-01 -1.732808883e-01 4.56 -1.662821669e-01 -1.662821669e-01 4.58 -1.595471052e-01 -1.595471052e-01 4.60 -1.530510482e-01 -1.530510482e-01 4.62 -1.467696366e-01 -1.467696366e-01 4.64 -1.406792459e-01 -1.406792459e-01 4.66 -1.347573390e-01 -1.347573390e-01 4.68 -1.289827524e-01 -1.289827524e-01 4.70 -1.233359381e-01 -1.233359381e-01 4.72 -1.177991835e-01 -1.177991835e-01 4.74 -1.123568264e-01 -1.123568264e-01 4.76 -1.069954761e-01 -1.069954761e-01 4.78 -1.017042478e-01 -1.017042478e-01 4.80 -9.647500444e-02 -9.647500444e-02 4.82 -9.130260221e-02 -9.130260221e-02 4.84 -8.618510325e-02 -8.618510325e-02 4.86 -8.112395216e-02 -8.112395216e-02 4.88 -7.612406587e-02 -7.612406587e-02 4.90 -7.119381020e-02 -7.119381020e-02 4.92 -6.634482997e-02 -6.634482997e-02 4.94 -6.159170838e-02 -6.159170838e-02 4.96 -5.695144527e-02 -5.695144527e-02 4.98 -5.244276196e-02 -5.244276196e-02 5.00 -4.808526140e-02 -4.808526140e-02 5.02 -4.389849310e-02 -4.389849310e-02 5.04 -3.990098864e-02 -3.990098864e-02 5.06 -3.610934216e-02 -3.610934216e-02 5.08 -3.253740992e-02 -3.253740992e-02 5.10 -2.919568934e-02 -2.919568934e-02 5.12 -2.609091960e-02 -2.609091960e-02 5.14 -2.322592631e-02 -2.322592631e-02 5.16 -2.059969657e-02 -2.059969657e-02 5.18 -1.820765661e-02 -1.820765661e-02 5.20 -1.604189936e-02 -1.604189936e-02 5.22 -1.409181800e-02 -1.409181800e-02 5.24 -1.234547318e-02 -1.234547318e-02 5.26 -1.078940303e-02 -1.078940303e-02 5.28 -9.409189441e-03 -9.409189441e-03 5.30 -8.189992437e-03 -8.189992437e-03 5.32 -7.116996961e-03 -7.116996961e-03 5.34 -6.175767521e-03 -6.175767521e-03 5.36 -5.352514003e-03 -5.352514003e-03 5.38 -4.634277037e-03 -4.634277037e-03 5.40 -4.009044186e-03 -4.009044186e-03 5.42 -3.465809314e-03 -3.465809314e-03 5.44 -2.994587308e-03 -2.994587308e-03 5.46 -2.586395253e-03 -2.586395253e-03 5.48 -2.233209751e-03 -2.233209751e-03 5.50 -1.927908372e-03 -1.927908372e-03 5.52 -1.664201677e-03 -1.664201677e-03 5.54 -1.436560740e-03 -1.436560740e-03 5.56 -1.240143827e-03 -1.240143827e-03 5.58 -1.070724845e-03 -1.070724845e-03 5.60 -9.246253063e-04 -9.246253063e-04 5.62 -7.986508922e-04 -7.986508922e-04 5.64 -6.900332150e-04 -6.900332150e-04 5.66 -5.963769930e-04 -5.963769930e-04 5.68 -5.156126100e-04 -5.156126100e-04 5.70 -4.459538513e-04 -4.459538513e-04 5.72 -3.858605020e-04 -3.858605020e-04 5.74 -3.340054294e-04 -3.340054294e-04 5.76 -2.892457448e-04 -2.892457448e-04 5.78 -2.505976369e-04 -2.505976369e-04 5.80 -2.172144780e-04 -2.172144780e-04 5.82 -1.883678298e-04 -1.883678298e-04 5.84 -1.634310001e-04 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