# 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 = AuFe2Pb # 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 3.087244473e+02 3.087244473e+02 1.30 2.852649435e+02 2.852649435e+02 1.32 2.635969659e+02 2.635969659e+02 1.34 2.435788124e+02 2.435788124e+02 1.36 2.250799727e+02 2.250799727e+02 1.38 2.079789164e+02 2.079789164e+02 1.40 1.921626893e+02 1.921626893e+02 1.42 1.775273641e+02 1.775273641e+02 1.44 1.639783073e+02 1.639783073e+02 1.46 1.514297878e+02 1.514297878e+02 1.48 1.398040568e+02 1.398040568e+02 1.50 1.290302841e+02 1.290302841e+02 1.52 1.190435181e+02 1.190435181e+02 1.54 1.097836991e+02 1.097836991e+02 1.56 1.011947837e+02 1.011947837e+02 1.58 9.322424655e+01 9.322424655e+01 1.60 8.582301513e+01 8.582301513e+01 1.62 7.894574502e+01 7.894574502e+01 1.64 7.255119078e+01 7.255119078e+01 1.66 6.660254559e+01 6.660254559e+01 1.68 6.106849992e+01 6.106849992e+01 1.70 5.593445732e+01 5.593445732e+01 1.72 5.118616683e+01 5.118616683e+01 1.74 4.680101066e+01 4.680101066e+01 1.76 4.275536752e+01 4.275536752e+01 1.78 3.902601512e+01 3.902601512e+01 1.80 3.558989403e+01 3.558989403e+01 1.82 3.242436763e+01 3.242436763e+01 1.84 2.950772220e+01 2.950772220e+01 1.86 2.681964126e+01 2.681964126e+01 1.88 2.434148543e+01 2.434148543e+01 1.90 2.205633073e+01 2.205633073e+01 1.92 1.994881699e+01 1.994881699e+01 1.94 1.800491760e+01 1.800491760e+01 1.96 1.621168606e+01 1.621168606e+01 1.98 1.455706753e+01 1.455706753e+01 2.00 1.302980614e+01 1.302980614e+01 2.02 1.161945067e+01 1.161945067e+01 2.04 1.031641489e+01 1.031641489e+01 2.06 9.112035304e+00 9.112035304e+00 2.08 7.998583027e+00 7.998583027e+00 2.10 6.969208661e+00 6.969208661e+00 2.12 6.017840077e+00 6.017840077e+00 2.14 5.139047015e+00 5.139047015e+00 2.16 4.327907508e+00 4.327907508e+00 2.18 3.579894359e+00 3.579894359e+00 2.20 2.890790186e+00 2.890790186e+00 2.22 2.256635293e+00 2.256635293e+00 2.24 1.673699925e+00 1.673699925e+00 2.26 1.138472839e+00 1.138472839e+00 2.28 6.476571290e-01 6.476571290e-01 2.30 1.981667970e-01 1.981667970e-01 2.32 -2.128829799e-01 -2.128829799e-01 2.34 -5.881809204e-01 -5.881809204e-01 2.36 -9.302363184e-01 -9.302363184e-01 2.38 -1.241391441e+00 -1.241391441e+00 2.40 -1.523833862e+00 -1.523833862e+00 2.42 -1.779606576e+00 -1.779606576e+00 2.44 -2.010616340e+00 -2.010616340e+00 2.46 -2.218641488e+00 -2.218641488e+00 2.48 -2.405341221e+00 -2.405341221e+00 2.50 -2.572267193e+00 -2.572267193e+00 2.52 -2.720876808e+00 -2.720876808e+00 2.54 -2.852546143e+00 -2.852546143e+00 2.56 -2.968579916e+00 -2.968579916e+00 2.58 -3.070216819e+00 -3.070216819e+00 2.60 -3.158703490e+00 -3.158703490e+00 2.62 -3.235110835e+00 -3.235110835e+00 2.64 -3.300362978e+00 -3.300362978e+00 2.66 -3.355325019e+00 -3.355325019e+00 2.68 -3.400775963e+00 -3.400775963e+00 2.70 -3.437419226e+00 -3.437419226e+00 2.72 -3.465893838e+00 -3.465893838e+00 2.74 -3.486782140e+00 -3.486782140e+00 2.76 -3.500613108e+00 -3.500613108e+00 2.78 -3.507877194e+00 -3.507877194e+00 2.80 -3.509014048e+00 -3.509014048e+00 2.82 -3.504203863e+00 -3.504203863e+00 2.84 -3.493536509e+00 -3.493536509e+00 2.86 -3.477167546e+00 -3.477167546e+00 2.88 -3.455311044e+00 -3.455311044e+00 2.90 -3.428228908e+00 -3.428228908e+00 2.92 -3.396219188e+00 -3.396219188e+00 2.94 -3.359604311e+00 -3.359604311e+00 2.96 -3.318720318e+00 -3.318720318e+00 2.98 -3.273919617e+00 -3.273919617e+00 3.00 -3.225581535e+00 -3.225581535e+00 3.02 -3.173978281e+00 -3.173978281e+00 3.04 -3.119370409e+00 -3.119370409e+00 3.06 -3.062020575e+00 -3.062020575e+00 3.08 -3.002184908e+00 -3.002184908e+00 3.10 -2.940113150e+00 -2.940113150e+00 3.12 -2.876030236e+00 -2.876030236e+00 3.14 -2.810138260e+00 -2.810138260e+00 3.16 -2.742640990e+00 -2.742640990e+00 3.18 -2.673754686e+00 -2.673754686e+00 3.20 -2.603713707e+00 -2.603713707e+00 3.22 -2.532775774e+00 -2.532775774e+00 3.24 -2.461224607e+00 -2.461224607e+00 3.26 -2.389368992e+00 -2.389368992e+00 3.28 -2.317537932e+00 -2.317537932e+00 3.30 -2.246072100e+00 -2.246072100e+00 3.32 -2.175312391e+00 -2.175312391e+00 3.34 -2.105586802e+00 -2.105586802e+00 3.36 -2.037197171e+00 -2.037197171e+00 3.38 -1.970407369e+00 -1.970407369e+00 3.40 -1.905434066e+00 -1.905434066e+00 3.42 -1.842442500e+00 -1.842442500e+00 3.44 -1.781543505e+00 -1.781543505e+00 3.46 -1.722797052e+00 -1.722797052e+00 3.48 -1.666217212e+00 -1.666217212e+00 3.50 -1.611779385e+00 -1.611779385e+00 3.52 -1.559428463e+00 -1.559428463e+00 3.54 -1.509087097e+00 -1.509087097e+00 3.56 -1.460663411e+00 -1.460663411e+00 3.58 -1.414057766e+00 -1.414057766e+00 3.60 -1.369168383e+00 -1.369168383e+00 3.62 -1.325895761e+00 -1.325895761e+00 3.64 -1.284145933e+00 -1.284145933e+00 3.66 -1.243832646e+00 -1.243832646e+00 3.68 -1.204878558e+00 -1.204878558e+00 3.70 -1.167215554e+00 -1.167215554e+00 3.72 -1.130784302e+00 -1.130784302e+00 3.74 -1.095533196e+00 -1.095533196e+00 3.76 -1.061416873e+00 -1.061416873e+00 3.78 -1.028394524e+00 -1.028394524e+00 3.80 -9.964282396e-01 -9.964282396e-01 3.82 -9.654815771e-01 -9.654815771e-01 3.84 -9.355185092e-01 -9.355185092e-01 3.86 -9.065028019e-01 -9.065028019e-01 3.88 -8.783978013e-01 -8.783978013e-01 3.90 -8.511665405e-01 -8.511665405e-01 3.92 -8.247716651e-01 -8.247716651e-01 3.94 -7.991774665e-01 -7.991774665e-01 3.96 -7.743477230e-01 -7.743477230e-01 3.98 -7.502478624e-01 -7.502478624e-01 4.00 -7.268447606e-01 -7.268447606e-01 4.02 -7.041069443e-01 -7.041069443e-01 4.04 -6.820047374e-01 -6.820047374e-01 4.06 -6.605103742e-01 -6.605103742e-01 4.08 -6.395981055e-01 -6.395981055e-01 4.10 -6.192430752e-01 -6.192430752e-01 4.12 -5.994266478e-01 -5.994266478e-01 4.14 -5.801284147e-01 -5.801284147e-01 4.16 -5.613320990e-01 -5.613320990e-01 4.18 -5.430242097e-01 -5.430242097e-01 4.20 -5.251941689e-01 -5.251941689e-01 4.22 -5.078343569e-01 -5.078343569e-01 4.24 -4.909400294e-01 -4.909400294e-01 4.26 -4.745090707e-01 -4.745090707e-01 4.28 -4.585415583e-01 -4.585415583e-01 4.30 -4.430391389e-01 -4.430391389e-01 4.32 -4.280042401e-01 -4.280042401e-01 4.34 -4.134391852e-01 -4.134391852e-01 4.36 -3.993452907e-01 -3.993452907e-01 4.38 -3.857220383e-01 -3.857220383e-01 4.40 -3.725664032e-01 -3.725664032e-01 4.42 -3.598724101e-01 -3.598724101e-01 4.44 -3.476309489e-01 -3.476309489e-01 4.46 -3.358298455e-01 -3.358298455e-01 4.48 -3.244535977e-01 -3.244535977e-01 4.50 -3.134848779e-01 -3.134848779e-01 4.52 -3.029051302e-01 -3.029051302e-01 4.54 -2.926943106e-01 -2.926943106e-01 4.56 -2.828315257e-01 -2.828315257e-01 4.58 -2.732955883e-01 -2.732955883e-01 4.60 -2.640654778e-01 -2.640654778e-01 4.62 -2.551207046e-01 -2.551207046e-01 4.64 -2.464415889e-01 -2.464415889e-01 4.66 -2.380094730e-01 -2.380094730e-01 4.68 -2.298068837e-01 -2.298068837e-01 4.70 -2.218176647e-01 -2.218176647e-01 4.72 -2.140270934e-01 -2.140270934e-01 4.74 -2.064219933e-01 -2.064219933e-01 4.76 -1.989908493e-01 -1.989908493e-01 4.78 -1.917239264e-01 -1.917239264e-01 4.80 -1.846125911e-01 -1.846125911e-01 4.82 -1.776527326e-01 -1.776527326e-01 4.84 -1.708396643e-01 -1.708396643e-01 4.86 -1.641717800e-01 -1.641717800e-01 4.88 -1.576495859e-01 -1.576495859e-01 4.90 -1.512756035e-01 -1.512756035e-01 4.92 -1.450541791e-01 -1.450541791e-01 4.94 -1.389911945e-01 -1.389911945e-01 4.96 -1.330936822e-01 -1.330936822e-01 4.98 -1.273693598e-01 -1.273693598e-01 5.00 -1.218261140e-01 -1.218261140e-01 5.02 -1.164714673e-01 -1.164714673e-01 5.04 -1.113120723e-01 -1.113120723e-01 5.06 -1.063532747e-01 -1.063532747e-01 5.08 -1.015987784e-01 -1.015987784e-01 5.10 -9.705043772e-02 -9.705043772e-02 5.12 -9.270818410e-02 -9.270818410e-02 5.14 -8.857008159e-02 -8.857008159e-02 5.16 -8.463249067e-02 -8.463249067e-02 5.18 -8.089031192e-02 -8.089031192e-02 5.20 -7.733727621e-02 -7.733727621e-02 5.22 -7.396624861e-02 -7.396624861e-02 5.24 -7.076951781e-02 -7.076951781e-02 5.26 -6.773903461e-02 -6.773903461e-02 5.28 -6.486655983e-02 -6.486655983e-02 5.30 -6.214399797e-02 -6.214399797e-02 5.32 -5.956340412e-02 -5.956340412e-02 5.34 -5.711701832e-02 -5.711701832e-02 5.36 -5.479728940e-02 -5.479728940e-02 5.38 -5.259687744e-02 -5.259687744e-02 5.40 -5.050864519e-02 -5.050864519e-02 5.42 -4.852564698e-02 -4.852564698e-02 5.44 -4.664112086e-02 -4.664112086e-02 5.46 -4.484848710e-02 -4.484848710e-02 5.48 -4.314135370e-02 -4.314135370e-02 5.50 -4.151352805e-02 -4.151352805e-02 5.52 -3.995903275e-02 -3.995903275e-02 5.54 -3.847212314e-02 -3.847212314e-02 5.56 -3.704730451e-02 -3.704730451e-02 5.58 -3.567934715e-02 -3.567934715e-02 5.60 -3.436329823e-02 -3.436329823e-02 5.62 -3.309449023e-02 -3.309449023e-02 5.64 -3.186854518e-02 -3.186854518e-02 5.66 -3.068137653e-02 -3.068137653e-02 5.68 -2.952918885e-02 -2.952918885e-02 5.70 -2.840847633e-02 -2.840847633e-02 5.72 -2.731602119e-02 -2.731602119e-02 5.74 -2.624889279e-02 -2.624889279e-02 5.76 -2.520444837e-02 -2.520444837e-02 5.78 -2.418033583e-02 -2.418033583e-02 5.80 -2.317449890e-02 -2.317449890e-02 5.82 -2.218518453e-02 -2.218518453e-02 5.84 -2.121095235e-02 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