# 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 = PdW2Zr # 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 4.574445055e+02 4.574445055e+02 1.30 4.242823054e+02 4.242823054e+02 1.32 3.935822419e+02 3.935822419e+02 1.34 3.651390160e+02 3.651390160e+02 1.36 3.387680936e+02 3.387680936e+02 1.38 3.143027439e+02 3.143027439e+02 1.40 2.915921159e+02 2.915921159e+02 1.42 2.704996011e+02 2.704996011e+02 1.44 2.509010829e+02 2.509010829e+02 1.46 2.326835235e+02 2.326835235e+02 1.48 2.157439326e+02 2.157439326e+02 1.50 1.999883854e+02 1.999883854e+02 1.52 1.853309793e+02 1.853309793e+02 1.54 1.716930285e+02 1.716930285e+02 1.56 1.590023548e+02 1.590023548e+02 1.58 1.471926975e+02 1.471926975e+02 1.60 1.362030176e+02 1.362030176e+02 1.62 1.259767211e+02 1.259767211e+02 1.64 1.164608452e+02 1.164608452e+02 1.66 1.076053870e+02 1.076053870e+02 1.68 9.936287065e+01 9.936287065e+01 1.70 9.168822289e+01 9.168822289e+01 1.72 8.453902223e+01 8.453902223e+01 1.74 7.787600045e+01 7.787600045e+01 1.76 7.166357291e+01 7.166357291e+01 1.78 6.587015138e+01 6.587015138e+01 1.80 6.046800661e+01 6.046800661e+01 1.82 5.543269281e+01 5.543269281e+01 1.84 5.074208928e+01 5.074208928e+01 1.86 4.637548186e+01 4.637548186e+01 1.88 4.231290714e+01 4.231290714e+01 1.90 3.853493615e+01 3.853493615e+01 1.92 3.502270830e+01 3.502270830e+01 1.94 3.175814469e+01 3.175814469e+01 1.96 2.872500022e+01 2.872500022e+01 1.98 2.590784955e+01 2.590784955e+01 2.00 2.329202298e+01 2.329202298e+01 2.02 2.087271548e+01 2.087271548e+01 2.04 1.863799395e+01 1.863799395e+01 2.06 1.657343988e+01 1.657343988e+01 2.08 1.466545778e+01 1.466545778e+01 2.10 1.290118619e+01 1.290118619e+01 2.12 1.126853436e+01 1.126853436e+01 2.14 9.756277568e+00 9.756277568e+00 2.16 8.354200073e+00 8.354200073e+00 2.18 7.053194254e+00 7.053194254e+00 2.20 5.845280848e+00 5.845280848e+00 2.22 4.723525109e+00 4.723525109e+00 2.24 3.681897266e+00 3.681897266e+00 2.26 2.715111317e+00 2.715111317e+00 2.28 1.818479371e+00 1.818479371e+00 2.30 9.877790292e-01 9.877790292e-01 2.32 2.191373133e-01 2.191373133e-01 2.34 -4.910342292e-01 -4.910342292e-01 2.36 -1.146124262e+00 -1.146124262e+00 2.38 -1.749363989e+00 -1.749363989e+00 2.40 -2.303856854e+00 -2.303856854e+00 2.42 -2.812599539e+00 -2.812599539e+00 2.44 -3.278489009e+00 -3.278489009e+00 2.46 -3.704331097e+00 -3.704331097e+00 2.48 -4.092836436e+00 -4.092836436e+00 2.50 -4.446603904e+00 -4.446603904e+00 2.52 -4.768089461e+00 -4.768089461e+00 2.54 -5.059566597e+00 -5.059566597e+00 2.56 -5.323091237e+00 -5.323091237e+00 2.58 -5.560484694e+00 -5.560484694e+00 2.60 -5.773341779e+00 -5.773341779e+00 2.62 -5.963059050e+00 -5.963059050e+00 2.64 -6.130800439e+00 -6.130800439e+00 2.66 -6.277647224e+00 -6.277647224e+00 2.68 -6.404817614e+00 -6.404817614e+00 2.70 -6.513475008e+00 -6.513475008e+00 2.72 -6.604747914e+00 -6.604747914e+00 2.74 -6.679742609e+00 -6.679742609e+00 2.76 -6.739547715e+00 -6.739547715e+00 2.78 -6.785265067e+00 -6.785265067e+00 2.80 -6.817930611e+00 -6.817930611e+00 2.82 -6.838033422e+00 -6.838033422e+00 2.84 -6.845849793e+00 -6.845849793e+00 2.86 -6.841731981e+00 -6.841731981e+00 2.88 -6.826106582e+00 -6.826106582e+00 2.90 -6.799473214e+00 -6.799473214e+00 2.92 -6.762404784e+00 -6.762404784e+00 2.94 -6.715533135e+00 -6.715533135e+00 2.96 -6.659442211e+00 -6.659442211e+00 2.98 -6.594734697e+00 -6.594734697e+00 3.00 -6.522080748e+00 -6.522080748e+00 3.02 -6.442190358e+00 -6.442190358e+00 3.04 -6.355780578e+00 -6.355780578e+00 3.06 -6.263575817e+00 -6.263575817e+00 3.08 -6.166547019e+00 -6.166547019e+00 3.10 -6.065221265e+00 -6.065221265e+00 3.12 -5.959913418e+00 -5.959913418e+00 3.14 -5.850882647e+00 -5.850882647e+00 3.16 -5.738309245e+00 -5.738309245e+00 3.18 -5.622316730e+00 -5.622316730e+00 3.20 -5.502980659e+00 -5.502980659e+00 3.22 -5.380358326e+00 -5.380358326e+00 3.24 -5.254559616e+00 -5.254559616e+00 3.26 -5.125719600e+00 -5.125719600e+00 3.28 -4.993995702e+00 -4.993995702e+00 3.30 -4.859585405e+00 -4.859585405e+00 3.32 -4.722739027e+00 -4.722739027e+00 3.34 -4.583767357e+00 -4.583767357e+00 3.36 -4.443044968e+00 -4.443044968e+00 3.38 -4.301010547e+00 -4.301010547e+00 3.40 -4.158164232e+00 -4.158164232e+00 3.42 -4.015067612e+00 -4.015067612e+00 3.44 -3.872330363e+00 -3.872330363e+00 3.46 -3.730602751e+00 -3.730602751e+00 3.48 -3.590557117e+00 -3.590557117e+00 3.50 -3.452865505e+00 -3.452865505e+00 3.52 -3.318174034e+00 -3.318174034e+00 3.54 -3.187076714e+00 -3.187076714e+00 3.56 -3.060091706e+00 -3.060091706e+00 3.58 -2.937642633e+00 -2.937642633e+00 3.60 -2.820046708e+00 -2.820046708e+00 3.62 -2.707510381e+00 -2.707510381e+00 3.64 -2.600132163e+00 -2.600132163e+00 3.66 -2.497911517e+00 -2.497911517e+00 3.68 -2.400762195e+00 -2.400762195e+00 3.70 -2.308528311e+00 -2.308528311e+00 3.72 -2.221001478e+00 -2.221001478e+00 3.74 -2.137937694e+00 -2.137937694e+00 3.76 -2.059072900e+00 -2.059072900e+00 3.78 -1.984136518e+00 -1.984136518e+00 3.80 -1.912862482e+00 -1.912862482e+00 3.82 -1.844997487e+00 -1.844997487e+00 3.84 -1.780306352e+00 -1.780306352e+00 3.86 -1.718574583e+00 -1.718574583e+00 3.88 -1.659608421e+00 -1.659608421e+00 3.90 -1.603232950e+00 -1.603232950e+00 3.92 -1.549287610e+00 -1.549287610e+00 3.94 -1.497628740e+00 -1.497628740e+00 3.96 -1.448117298e+00 -1.448117298e+00 3.98 -1.400623584e+00 -1.400623584e+00 4.00 -1.355024773e+00 -1.355024773e+00 4.02 -1.311205240e+00 -1.311205240e+00 4.04 -1.269057522e+00 -1.269057522e+00 4.06 -1.228483440e+00 -1.228483440e+00 4.08 -1.189394925e+00 -1.189394925e+00 4.10 -1.151708641e+00 -1.151708641e+00 4.12 -1.115369129e+00 -1.115369129e+00 4.14 -1.080310421e+00 -1.080310421e+00 4.16 -1.046480631e+00 -1.046480631e+00 4.18 -1.013833052e+00 -1.013833052e+00 4.20 -9.823242100e-01 -9.823242100e-01 4.22 -9.519121457e-01 -9.519121457e-01 4.24 -9.225550857e-01 -9.225550857e-01 4.26 -8.942105858e-01 -8.942105858e-01 4.28 -8.668351482e-01 -8.668351482e-01 4.30 -8.403842410e-01 -8.403842410e-01 4.32 -8.148126152e-01 -8.148126152e-01 4.34 -7.900747954e-01 -7.900747954e-01 4.36 -7.661253923e-01 -7.661253923e-01 4.38 -7.429201776e-01 -7.429201776e-01 4.40 -7.204164553e-01 -7.204164553e-01 4.42 -6.985731446e-01 -6.985731446e-01 4.44 -6.773511412e-01 -6.773511412e-01 4.46 -6.567135837e-01 -6.567135837e-01 4.48 -6.366260549e-01 -6.366260549e-01 4.50 -6.170567505e-01 -6.170567505e-01 4.52 -5.979766399e-01 -5.979766399e-01 4.54 -5.793596386e-01 -5.793596386e-01 4.56 -5.611828009e-01 -5.611828009e-01 4.58 -5.434265318e-01 -5.434265318e-01 4.60 -5.260748067e-01 -5.260748067e-01 4.62 -5.091153737e-01 -5.091153737e-01 4.64 -4.925399081e-01 -4.925399081e-01 4.66 -4.763440771e-01 -4.763440771e-01 4.68 -4.605274732e-01 -4.605274732e-01 4.70 -4.450933774e-01 -4.450933774e-01 4.72 -4.300483255e-01 -4.300483255e-01 4.74 -4.154014678e-01 -4.154014678e-01 4.76 -4.011637393e-01 -4.011637393e-01 4.78 -3.873468828e-01 -3.873468828e-01 4.80 -3.739592151e-01 -3.739592151e-01 4.82 -3.610178250e-01 -3.610178250e-01 4.84 -3.485268361e-01 -3.485268361e-01 4.86 -3.364911637e-01 -3.364911637e-01 4.88 -3.249121385e-01 -3.249121385e-01 4.90 -3.137872318e-01 -3.137872318e-01 4.92 -3.031100486e-01 -3.031100486e-01 4.94 -2.928705602e-01 -2.928705602e-01 4.96 -2.830555255e-01 -2.830555255e-01 4.98 -2.736490407e-01 -2.736490407e-01 5.00 -2.646331530e-01 -2.646331530e-01 5.02 -2.559884845e-01 -2.559884845e-01 5.04 -2.476948196e-01 -2.476948196e-01 5.06 -2.397316269e-01 -2.397316269e-01 5.08 -2.320784988e-01 -2.320784988e-01 5.10 -2.247155019e-01 -2.247155019e-01 5.12 -2.176234443e-01 -2.176234443e-01 5.14 -2.107840678e-01 -2.107840678e-01 5.16 -2.041801781e-01 -2.041801781e-01 5.18 -1.977957284e-01 -1.977957284e-01 5.20 -1.916158685e-01 -1.916158685e-01 5.22 -1.856269723e-01 -1.856269723e-01 5.24 -1.798166549e-01 -1.798166549e-01 5.26 -1.741737831e-01 -1.741737831e-01 5.28 -1.686884879e-01 -1.686884879e-01 5.30 -1.633521764e-01 -1.633521764e-01 5.32 -1.581575426e-01 -1.581575426e-01 5.34 -1.530985728e-01 -1.530985728e-01 5.36 -1.481705353e-01 -1.481705353e-01 5.38 -1.433699482e-01 -1.433699482e-01 5.40 -1.386945155e-01 -1.386945155e-01 5.42 -1.341430224e-01 -1.341430224e-01 5.44 -1.297151850e-01 -1.297151850e-01 5.46 -1.254114536e-01 -1.254114536e-01 5.48 -1.212327800e-01 -1.212327800e-01 5.50 -1.171803522e-01 -1.171803522e-01 5.52 -1.132553189e-01 -1.132553189e-01 5.54 -1.094585241e-01 -1.094585241e-01 5.56 -1.057902735e-01 -1.057902735e-01 5.58 -1.022501483e-01 -1.022501483e-01 5.60 -9.883682674e-02 -9.883682674e-02 5.62 -9.554810343e-02 -9.554810343e-02 5.64 -9.238094460e-02 -9.238094460e-02 5.66 -8.933145329e-02 -8.933145329e-02 5.68 -8.639497377e-02 -8.639497377e-02 5.70 -8.356622371e-02 -8.356622371e-02 5.72 -8.083943848e-02 -8.083943848e-02 5.74 -7.820851489e-02 -7.820851489e-02 5.76 -7.566714455e-02 -7.566714455e-02 5.78 -7.320893039e-02 -7.320893039e-02 5.80 -7.082748330e-02 -7.082748330e-02 5.82 -6.851649835e-02 -6.851649835e-02 5.84 -6.626981218e-02 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