# 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 = NiPb2W # 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 4.047158083e+02 4.047158083e+02 1.30 3.773561066e+02 3.773561066e+02 1.32 3.519241959e+02 3.519241959e+02 1.34 3.282690545e+02 3.282690545e+02 1.36 3.062560877e+02 3.062560877e+02 1.38 2.857640090e+02 2.857640090e+02 1.40 2.666823692e+02 2.666823692e+02 1.42 2.489094411e+02 2.489094411e+02 1.44 2.323502739e+02 2.323502739e+02 1.46 2.169153950e+02 2.169153950e+02 1.48 2.025205683e+02 2.025205683e+02 1.50 1.890873044e+02 1.890873044e+02 1.52 1.765433313e+02 1.765433313e+02 1.54 1.648226014e+02 1.648226014e+02 1.56 1.538648105e+02 1.538648105e+02 1.58 1.436148006e+02 1.436148006e+02 1.60 1.340219703e+02 1.340219703e+02 1.62 1.250398105e+02 1.250398105e+02 1.64 1.166254697e+02 1.166254697e+02 1.66 1.087393914e+02 1.087393914e+02 1.68 1.013449952e+02 1.013449952e+02 1.70 9.440846749e+01 9.440846749e+01 1.72 8.789874430e+01 8.789874430e+01 1.74 8.178780249e+01 8.178780249e+01 1.76 7.605123264e+01 7.605123264e+01 1.78 7.066734412e+01 7.066734412e+01 1.80 6.561725251e+01 6.561725251e+01 1.82 6.088806541e+01 6.088806541e+01 1.84 5.647589635e+01 5.647589635e+01 1.86 5.236442697e+01 5.236442697e+01 1.88 4.853609628e+01 4.853609628e+01 1.90 4.497307294e+01 4.497307294e+01 1.92 4.165746917e+01 4.165746917e+01 1.94 3.857171890e+01 3.857171890e+01 1.96 3.569893124e+01 3.569893124e+01 1.98 3.302316971e+01 3.302316971e+01 2.00 3.052959859e+01 3.052959859e+01 2.02 2.820451410e+01 2.820451410e+01 2.04 2.603529509e+01 2.603529509e+01 2.06 2.401032189e+01 2.401032189e+01 2.08 2.211889986e+01 2.211889986e+01 2.10 2.035118848e+01 2.035118848e+01 2.12 1.869816009e+01 1.869816009e+01 2.14 1.715155751e+01 1.715155751e+01 2.16 1.570386021e+01 1.570386021e+01 2.18 1.434824609e+01 1.434824609e+01 2.20 1.307853726e+01 1.307853726e+01 2.22 1.188914096e+01 1.188914096e+01 2.24 1.077498490e+01 1.077498490e+01 2.26 9.731457107e+00 9.731457107e+00 2.28 8.754355267e+00 8.754355267e+00 2.30 7.839833002e+00 7.839833002e+00 2.32 6.984341377e+00 6.984341377e+00 2.34 6.184594415e+00 6.184594415e+00 2.36 5.437544715e+00 5.437544715e+00 2.38 4.740129350e+00 4.740129350e+00 2.40 4.089379260e+00 4.089379260e+00 2.42 3.482437192e+00 3.482437192e+00 2.44 2.916566554e+00 2.916566554e+00 2.46 2.389174102e+00 2.389174102e+00 2.48 1.897831665e+00 1.897831665e+00 2.50 1.440290623e+00 1.440290623e+00 2.52 1.014577481e+00 1.014577481e+00 2.54 6.190217069e-01 6.190217069e-01 2.56 2.520626057e-01 2.520626057e-01 2.58 -8.777685623e-02 -8.777685623e-02 2.60 -4.018998307e-01 -4.018998307e-01 2.62 -6.916450628e-01 -6.916450628e-01 2.64 -9.583023812e-01 -9.583023812e-01 2.66 -1.203114580e+00 -1.203114580e+00 2.68 -1.427291898e+00 -1.427291898e+00 2.70 -1.632013896e+00 -1.632013896e+00 2.72 -1.818432937e+00 -1.818432937e+00 2.74 -1.987673362e+00 -1.987673362e+00 2.76 -2.140824883e+00 -2.140824883e+00 2.78 -2.278933629e+00 -2.278933629e+00 2.80 -2.402994084e+00 -2.402994084e+00 2.82 -2.513932329e+00 -2.513932329e+00 2.84 -2.612474379e+00 -2.612474379e+00 2.86 -2.699208155e+00 -2.699208155e+00 2.88 -2.774703891e+00 -2.774703891e+00 2.90 -2.839521723e+00 -2.839521723e+00 2.92 -2.894217788e+00 -2.894217788e+00 2.94 -2.939350478e+00 -2.939350478e+00 2.96 -2.975485612e+00 -2.975485612e+00 2.98 -3.003199446e+00 -3.003199446e+00 3.00 -3.023078703e+00 -3.023078703e+00 3.02 -3.035717305e+00 -3.035717305e+00 3.04 -3.041709601e+00 -3.041709601e+00 3.06 -3.041643724e+00 -3.041643724e+00 3.08 -3.036089154e+00 -3.036089154e+00 3.10 -3.025589774e+00 -3.025589774e+00 3.12 -3.010654172e+00 -3.010654172e+00 3.14 -2.991756627e+00 -2.991756627e+00 3.16 -2.969322811e+00 -2.969322811e+00 3.18 -2.943734675e+00 -2.943734675e+00 3.20 -2.915326602e+00 -2.915326602e+00 3.22 -2.884384124e+00 -2.884384124e+00 3.24 -2.851143599e+00 -2.851143599e+00 3.26 -2.815793615e+00 -2.815793615e+00 3.28 -2.778485488e+00 -2.778485488e+00 3.30 -2.739427042e+00 -2.739427042e+00 3.32 -2.698608720e+00 -2.698608720e+00 3.34 -2.655953095e+00 -2.655953095e+00 3.36 -2.611403303e+00 -2.611403303e+00 3.38 -2.564934045e+00 -2.564934045e+00 3.40 -2.516559964e+00 -2.516559964e+00 3.42 -2.466306208e+00 -2.466306208e+00 3.44 -2.414205563e+00 -2.414205563e+00 3.46 -2.360358973e+00 -2.360358973e+00 3.48 -2.304935417e+00 -2.304935417e+00 3.50 -2.248163329e+00 -2.248163329e+00 3.52 -2.190317955e+00 -2.190317955e+00 3.54 -2.131705902e+00 -2.131705902e+00 3.56 -2.072648478e+00 -2.072648478e+00 3.58 -2.013465564e+00 -2.013465564e+00 3.60 -1.954461540e+00 -1.954461540e+00 3.62 -1.895914371e+00 -1.895914371e+00 3.64 -1.838068395e+00 -1.838068395e+00 3.66 -1.781130797e+00 -1.781130797e+00 3.68 -1.725271300e+00 -1.725271300e+00 3.70 -1.670624286e+00 -1.670624286e+00 3.72 -1.617292493e+00 -1.617292493e+00 3.74 -1.565351469e+00 -1.565351469e+00 3.76 -1.514854152e+00 -1.514854152e+00 3.78 -1.465835151e+00 -1.465835151e+00 3.80 -1.418314489e+00 -1.418314489e+00 3.82 -1.372300710e+00 -1.372300710e+00 3.84 -1.327793296e+00 -1.327793296e+00 3.86 -1.284784378e+00 -1.284784378e+00 3.88 -1.243259753e+00 -1.243259753e+00 3.90 -1.203199282e+00 -1.203199282e+00 3.92 -1.164575995e+00 -1.164575995e+00 3.94 -1.127359324e+00 -1.127359324e+00 3.96 -1.091509355e+00 -1.091509355e+00 3.98 -1.056980774e+00 -1.056980774e+00 4.00 -1.023722324e+00 -1.023722324e+00 4.02 -9.916777188e-01 -9.916777188e-01 4.04 -9.607869055e-01 -9.607869055e-01 4.06 -9.309874887e-01 -9.309874887e-01 4.08 -9.022161674e-01 -9.022161674e-01 4.10 -8.744075812e-01 -8.744075812e-01 4.12 -8.475056268e-01 -8.475056268e-01 4.14 -8.214481497e-01 -8.214481497e-01 4.16 -7.961788375e-01 -7.961788375e-01 4.18 -7.716446002e-01 -7.716446002e-01 4.20 -7.477958188e-01 -7.477958188e-01 4.22 -7.245865275e-01 -7.245865275e-01 4.24 -7.019745904e-01 -7.019745904e-01 4.26 -6.799219152e-01 -6.799219152e-01 4.28 -6.583947342e-01 -6.583947342e-01 4.30 -6.373639595e-01 -6.373639595e-01 4.32 -6.168055968e-01 -6.168055968e-01 4.34 -5.967011779e-01 -5.967011779e-01 4.36 -5.770381504e-01 -5.770381504e-01 4.38 -5.578101406e-01 -5.578101406e-01 4.40 -5.390169975e-01 -5.390169975e-01 4.42 -5.206645276e-01 -5.206645276e-01 4.44 -5.027638523e-01 -5.027638523e-01 4.46 -4.853303618e-01 -4.853303618e-01 4.48 -4.683822929e-01 -4.683822929e-01 4.50 -4.519390270e-01 -4.519390270e-01 4.52 -4.360192546e-01 -4.360192546e-01 4.54 -4.206391922e-01 -4.206391922e-01 4.56 -4.058110364e-01 -4.058110364e-01 4.58 -3.915418101e-01 -3.915418101e-01 4.60 -3.778326960e-01 -3.778326960e-01 4.62 -3.646788800e-01 -3.646788800e-01 4.64 -3.520698585e-01 -3.520698585e-01 4.66 -3.399901123e-01 -3.399901123e-01 4.68 -3.284200210e-01 -3.284200210e-01 4.70 -3.173368902e-01 -3.173368902e-01 4.72 -3.067159793e-01 -3.067159793e-01 4.74 -2.965314460e-01 -2.965314460e-01 4.76 -2.867571533e-01 -2.867571533e-01 4.78 -2.773673164e-01 -2.773673164e-01 4.80 -2.683354320e-01 -2.683354320e-01 4.82 -2.596410734e-01 -2.596410734e-01 4.84 -2.512599942e-01 -2.512599942e-01 4.86 -2.431712771e-01 -2.431712771e-01 4.88 -2.353555169e-01 -2.353555169e-01 4.90 -2.277947998e-01 -2.277947998e-01 4.92 -2.204726509e-01 -2.204726509e-01 4.94 -2.133739677e-01 -2.133739677e-01 4.96 -2.064849504e-01 -2.064849504e-01 4.98 -1.997930366e-01 -1.997930366e-01 5.00 -1.932868474e-01 -1.932868474e-01 5.02 -1.869561487e-01 -1.869561487e-01 5.04 -1.807918269e-01 -1.807918269e-01 5.06 -1.747858797e-01 -1.747858797e-01 5.08 -1.689314166e-01 -1.689314166e-01 5.10 -1.632226646e-01 -1.632226646e-01 5.12 -1.576549747e-01 -1.576549747e-01 5.14 -1.522248186e-01 -1.522248186e-01 5.16 -1.469297687e-01 -1.469297687e-01 5.18 -1.417684521e-01 -1.417684521e-01 5.20 -1.367404717e-01 -1.367404717e-01 5.22 -1.318462886e-01 -1.318462886e-01 5.24 -1.270870641e-01 -1.270870641e-01 5.26 -1.224643980e-01 -1.224643980e-01 5.28 -1.179796829e-01 -1.179796829e-01 5.30 -1.136349956e-01 -1.136349956e-01 5.32 -1.094323357e-01 -1.094323357e-01 5.34 -1.053731992e-01 -1.053731992e-01 5.36 -1.014583683e-01 -1.014583683e-01 5.38 -9.768774681e-02 -9.768774681e-02 5.40 -9.406025126e-02 -9.406025126e-02 5.42 -9.057376182e-02 -9.057376182e-02 5.44 -8.722513199e-02 -8.722513199e-02 5.46 -8.401025051e-02 -8.401025051e-02 5.48 -8.092414541e-02 -8.092414541e-02 5.50 -7.796111766e-02 -7.796111766e-02 5.52 -7.511489189e-02 -7.511489189e-02 5.54 -7.237877233e-02 -7.237877233e-02 5.56 -6.974579433e-02 -6.974579433e-02 5.58 -6.720886412e-02 -6.720886412e-02 5.60 -6.476088255e-02 -6.476088255e-02 5.62 -6.239485037e-02 -6.239485037e-02 5.64 -6.010395534e-02 -6.010395534e-02 5.66 -5.788164217e-02 -5.788164217e-02 5.68 -5.572166806e-02 -5.572166806e-02 5.70 -5.361814652e-02 -5.361814652e-02 5.72 -5.156558264e-02 -5.156558264e-02 5.74 -4.955890271e-02 -4.955890271e-02 5.76 -4.759348076e-02 -4.759348076e-02 5.78 -4.566516399e-02 -4.566516399e-02 5.80 -4.377029857e-02 -4.377029857e-02 5.82 -4.190575647e-02 -4.190575647e-02 5.84 -4.006896324e-02 -4.006896324e-02 5.86 -3.825792606e-02 -3.825792606e-02 5.88 -3.647126040e-02 -3.647126040e-02 5.90 -3.470821302e-02 -3.470821302e-02 5.92 -3.296867873e-02 -3.296867873e-02 5.94 -3.125320736e-02 -3.125320736e-02 5.96 -2.956299784e-02 -2.956299784e-02 5.98 -2.789987544e-02 -2.789987544e-02 6.00 -2.626625039e-02 -2.626625039e-02