# 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 = Mg2PbPt # 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 3.887665861e+02 3.887665861e+02 1.30 3.619102609e+02 3.619102609e+02 1.32 3.369441950e+02 3.369441950e+02 1.34 3.137247749e+02 3.137247749e+02 1.36 2.921227655e+02 2.921227655e+02 1.38 2.720183991e+02 2.720183991e+02 1.40 2.532981353e+02 2.532981353e+02 1.42 2.358545832e+02 2.358545832e+02 1.44 2.195878368e+02 2.195878368e+02 1.46 2.044068955e+02 2.044068955e+02 1.48 1.902305909e+02 1.902305909e+02 1.50 1.769871863e+02 1.769871863e+02 1.52 1.646123631e+02 1.646123631e+02 1.54 1.530467471e+02 1.530467471e+02 1.56 1.422341911e+02 1.422341911e+02 1.58 1.321211280e+02 1.321211280e+02 1.60 1.226565050e+02 1.226565050e+02 1.62 1.137920165e+02 1.137920165e+02 1.64 1.054826406e+02 1.054826406e+02 1.66 9.768867059e+01 9.768867059e+01 1.68 9.042450226e+01 9.042450226e+01 1.70 8.368011814e+01 8.368011814e+01 1.72 7.742000108e+01 7.742000108e+01 1.74 7.161176492e+01 7.161176492e+01 1.76 6.622451407e+01 6.622451407e+01 1.78 6.122809662e+01 6.122809662e+01 1.80 5.659327605e+01 5.659327605e+01 1.82 5.229240285e+01 5.229240285e+01 1.84 4.830003419e+01 4.830003419e+01 1.86 4.459316922e+01 4.459316922e+01 1.88 4.115104963e+01 4.115104963e+01 1.90 3.795467770e+01 3.795467770e+01 1.92 3.498630188e+01 3.498630188e+01 1.94 3.222912610e+01 3.222912610e+01 1.96 2.966730276e+01 2.966730276e+01 1.98 2.728611117e+01 2.728611117e+01 2.00 2.507211880e+01 2.507211880e+01 2.02 2.301319926e+01 2.301319926e+01 2.04 2.109841261e+01 2.109841261e+01 2.06 1.931782651e+01 1.931782651e+01 2.08 1.766234507e+01 1.766234507e+01 2.10 1.612356753e+01 1.612356753e+01 2.12 1.469368121e+01 1.469368121e+01 2.14 1.336537981e+01 1.336537981e+01 2.16 1.213181353e+01 1.213181353e+01 2.18 1.098656427e+01 1.098656427e+01 2.20 9.923635681e+00 9.923635681e+00 2.22 8.937445339e+00 8.937445339e+00 2.24 8.022814322e+00 8.022814322e+00 2.26 7.174952877e+00 7.174952877e+00 2.28 6.389438131e+00 6.389438131e+00 2.30 5.662192260e+00 5.662192260e+00 2.32 4.989441804e+00 4.989441804e+00 2.34 4.367686525e+00 4.367686525e+00 2.36 3.793655951e+00 3.793655951e+00 2.38 3.264180549e+00 3.264180549e+00 2.40 2.775158644e+00 2.775158644e+00 2.42 2.323818584e+00 2.323818584e+00 2.44 1.907905462e+00 1.907905462e+00 2.46 1.525194326e+00 1.525194326e+00 2.48 1.173480210e+00 1.173480210e+00 2.50 8.505742208e-01 8.505742208e-01 2.52 5.543126518e-01 5.543126518e-01 2.54 2.825846717e-01 2.825846717e-01 2.56 3.337781447e-02 3.337781447e-02 2.58 -1.951688706e-01 -1.951688706e-01 2.60 -4.047204830e-01 -4.047204830e-01 2.62 -5.967244394e-01 -5.967244394e-01 2.64 -7.724210134e-01 -7.724210134e-01 2.66 -9.328674317e-01 -9.328674317e-01 2.68 -1.078981765e+00 -1.078981765e+00 2.70 -1.211580814e+00 -1.211580814e+00 2.72 -1.331410976e+00 -1.331410976e+00 2.74 -1.439168871e+00 -1.439168871e+00 2.76 -1.535513085e+00 -1.535513085e+00 2.78 -1.621069639e+00 -1.621069639e+00 2.80 -1.696436877e+00 -1.696436877e+00 2.82 -1.762186184e+00 -1.762186184e+00 2.84 -1.818869225e+00 -1.818869225e+00 2.86 -1.867025589e+00 -1.867025589e+00 2.88 -1.907193555e+00 -1.907193555e+00 2.90 -1.939922132e+00 -1.939922132e+00 2.92 -1.965781915e+00 -1.965781915e+00 2.94 -1.985371479e+00 -1.985371479e+00 2.96 -1.999316095e+00 -1.999316095e+00 2.98 -2.008256808e+00 -2.008256808e+00 3.00 -2.012830533e+00 -2.012830533e+00 3.02 -2.013644787e+00 -2.013644787e+00 3.04 -2.011251585e+00 -2.011251585e+00 3.06 -2.006133519e+00 -2.006133519e+00 3.08 -1.998686822e+00 -1.998686822e+00 3.10 -1.989228317e+00 -1.989228317e+00 3.12 -1.978002619e+00 -1.978002619e+00 3.14 -1.965199804e+00 -1.965199804e+00 3.16 -1.950986315e+00 -1.950986315e+00 3.18 -1.935590255e+00 -1.935590255e+00 3.20 -1.919164215e+00 -1.919164215e+00 3.22 -1.901818969e+00 -1.901818969e+00 3.24 -1.883649044e+00 -1.883649044e+00 3.26 -1.864739107e+00 -1.864739107e+00 3.28 -1.845167709e+00 -1.845167709e+00 3.30 -1.825009189e+00 -1.825009189e+00 3.32 -1.804334325e+00 -1.804334325e+00 3.34 -1.783209688e+00 -1.783209688e+00 3.36 -1.761691901e+00 -1.761691901e+00 3.38 -1.739829580e+00 -1.739829580e+00 3.40 -1.717677839e+00 -1.717677839e+00 3.42 -1.695299948e+00 -1.695299948e+00 3.44 -1.672715628e+00 -1.672715628e+00 3.46 -1.649943986e+00 -1.649943986e+00 3.48 -1.627005664e+00 -1.627005664e+00 3.50 -1.603922409e+00 -1.603922409e+00 3.52 -1.580716597e+00 -1.580716597e+00 3.54 -1.557410770e+00 -1.557410770e+00 3.56 -1.534027231e+00 -1.534027231e+00 3.58 -1.510587751e+00 -1.510587751e+00 3.60 -1.487111166e+00 -1.487111166e+00 3.62 -1.463593031e+00 -1.463593031e+00 3.64 -1.440017267e+00 -1.440017267e+00 3.66 -1.416373796e+00 -1.416373796e+00 3.68 -1.392657996e+00 -1.392657996e+00 3.70 -1.368870057e+00 -1.368870057e+00 3.72 -1.345014298e+00 -1.345014298e+00 3.74 -1.321098394e+00 -1.321098394e+00 3.76 -1.297132513e+00 -1.297132513e+00 3.78 -1.273128397e+00 -1.273128397e+00 3.80 -1.249098460e+00 -1.249098460e+00 3.82 -1.225054949e+00 -1.225054949e+00 3.84 -1.201009241e+00 -1.201009241e+00 3.86 -1.176971291e+00 -1.176971291e+00 3.88 -1.152949238e+00 -1.152949238e+00 3.90 -1.128949157e+00 -1.128949157e+00 3.92 -1.104974641e+00 -1.104974641e+00 3.94 -1.081028372e+00 -1.081028372e+00 3.96 -1.057110168e+00 -1.057110168e+00 3.98 -1.033219235e+00 -1.033219235e+00 4.00 -1.009354655e+00 -1.009354655e+00 4.02 -9.855165962e-01 -9.855165962e-01 4.04 -9.617077561e-01 -9.617077561e-01 4.06 -9.379349601e-01 -9.379349601e-01 4.08 -9.142107824e-01 -9.142107824e-01 4.10 -8.905537540e-01 -8.905537540e-01 4.12 -8.669947749e-01 -8.669947749e-01 4.14 -8.435693586e-01 -8.435693586e-01 4.16 -8.203232734e-01 -8.203232734e-01 4.18 -7.973098996e-01 -7.973098996e-01 4.20 -7.745882081e-01 -7.745882081e-01 4.22 -7.522199229e-01 -7.522199229e-01 4.24 -7.302661230e-01 -7.302661230e-01 4.26 -7.087836530e-01 -7.087836530e-01 4.28 -6.878217636e-01 -6.878217636e-01 4.30 -6.674193688e-01 -6.674193688e-01 4.32 -6.476032052e-01 -6.476032052e-01 4.34 -6.283870200e-01 -6.283870200e-01 4.36 -6.097717557e-01 -6.097717557e-01 4.38 -5.917465669e-01 -5.917465669e-01 4.40 -5.742904242e-01 -5.742904242e-01 4.42 -5.573740379e-01 -5.573740379e-01 4.44 -5.409618634e-01 -5.409618634e-01 4.46 -5.250140043e-01 -5.250140043e-01 4.48 -5.094878994e-01 -5.094878994e-01 4.50 -4.943397442e-01 -4.943397442e-01 4.52 -4.795256490e-01 -4.795256490e-01 4.54 -4.650025729e-01 -4.650025729e-01 4.56 -4.507290919e-01 -4.507290919e-01 4.58 -4.366660685e-01 -4.366660685e-01 4.60 -4.227772841e-01 -4.227772841e-01 4.62 -4.090300882e-01 -4.090300882e-01 4.64 -3.953960968e-01 -3.953960968e-01 4.66 -3.818519556e-01 -3.818519556e-01 4.68 -3.683801565e-01 -3.683801565e-01 4.70 -3.549698680e-01 -3.549698680e-01 4.72 -3.416177174e-01 -3.416177174e-01 4.74 -3.283284338e-01 -3.283284338e-01 4.76 -3.151152511e-01 -3.151152511e-01 4.78 -3.019999615e-01 -3.019999615e-01 4.80 -2.890114097e-01 -2.890114097e-01 4.82 -2.761892451e-01 -2.761892451e-01 4.84 -2.635752329e-01 -2.635752329e-01 4.86 -2.512164461e-01 -2.512164461e-01 4.88 -2.391616896e-01 -2.391616896e-01 4.90 -2.274590729e-01 -2.274590729e-01 4.92 -2.161536000e-01 -2.161536000e-01 4.94 -2.052849876e-01 -2.052849876e-01 4.96 -1.948858943e-01 -1.948858943e-01 4.98 -1.849806922e-01 -1.849806922e-01 5.00 -1.755848434e-01 -1.755848434e-01 5.02 -1.667048702e-01 -1.667048702e-01 5.04 -1.583388507e-01 -1.583388507e-01 5.06 -1.504773236e-01 -1.504773236e-01 5.08 -1.431044687e-01 -1.431044687e-01 5.10 -1.361994281e-01 -1.361994281e-01 5.12 -1.297376479e-01 -1.297376479e-01 5.14 -1.236921481e-01 -1.236921481e-01 5.16 -1.180346556e-01 -1.180346556e-01 5.18 -1.127365630e-01 -1.127365630e-01 5.20 -1.077697007e-01 -1.077697007e-01 5.22 -1.031069256e-01 -1.031069256e-01 5.24 -9.872254242e-02 -9.872254242e-02 5.26 -9.459258161e-02 -9.459258161e-02 5.28 -9.069495704e-02 -9.069495704e-02 5.30 -8.700952997e-02 -8.700952997e-02 5.32 -8.351810079e-02 -8.351810079e-02 5.34 -8.020434770e-02 -8.020434770e-02 5.36 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