# 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 = AlPd2Ti # 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 2.445195555e+02 2.445195555e+02 1.30 2.271438163e+02 2.271438163e+02 1.32 2.110146065e+02 2.110146065e+02 1.34 1.960344171e+02 1.960344171e+02 1.36 1.821134760e+02 1.821134760e+02 1.38 1.691683953e+02 1.691683953e+02 1.40 1.571222077e+02 1.571222077e+02 1.42 1.459046497e+02 1.459046497e+02 1.44 1.354522500e+02 1.354522500e+02 1.46 1.257083364e+02 1.257083364e+02 1.48 1.166225626e+02 1.166225626e+02 1.50 1.081495191e+02 1.081495191e+02 1.52 1.002469293e+02 1.002469293e+02 1.54 9.287442642e+01 9.287442642e+01 1.56 8.599320932e+01 8.599320932e+01 1.58 7.956622094e+01 7.956622094e+01 1.60 7.355859697e+01 7.355859697e+01 1.62 6.793831031e+01 6.793831031e+01 1.64 6.267679441e+01 6.267679441e+01 1.66 5.774917887e+01 5.774917887e+01 1.68 5.313390969e+01 5.313390969e+01 1.70 4.881187551e+01 4.881187551e+01 1.72 4.477470606e+01 4.477470606e+01 1.74 4.102815472e+01 4.102815472e+01 1.76 3.755365234e+01 3.755365234e+01 1.78 3.433109954e+01 3.433109954e+01 1.80 3.134123884e+01 3.134123884e+01 1.82 2.856660819e+01 2.856660819e+01 1.84 2.599153419e+01 2.599153419e+01 1.86 2.360187762e+01 2.360187762e+01 1.88 2.138468110e+01 2.138468110e+01 1.90 1.932788256e+01 1.932788256e+01 1.92 1.742018972e+01 1.742018972e+01 1.94 1.565109677e+01 1.565109677e+01 1.96 1.401094411e+01 1.401094411e+01 1.98 1.249091967e+01 1.249091967e+01 2.00 1.108296316e+01 1.108296316e+01 2.02 9.779605740e+00 9.779605740e+00 2.04 8.573813639e+00 8.573813639e+00 2.06 7.458892504e+00 7.458892504e+00 2.08 6.428466336e+00 6.428466336e+00 2.10 5.476505633e+00 5.476505633e+00 2.12 4.597365378e+00 4.597365378e+00 2.14 3.785806441e+00 3.785806441e+00 2.16 3.036994522e+00 3.036994522e+00 2.18 2.346483715e+00 2.346483715e+00 2.20 1.710193285e+00 1.710193285e+00 2.22 1.124381507e+00 1.124381507e+00 2.24 5.856182646e-01 5.856182646e-01 2.26 9.075725431e-02 9.075725431e-02 2.28 -3.630913639e-01 -3.630913639e-01 2.30 -7.785875607e-01 -7.785875607e-01 2.32 -1.158188544e+00 -1.158188544e+00 2.34 -1.504175877e+00 -1.504175877e+00 2.36 -1.818682538e+00 -1.818682538e+00 2.38 -2.103719068e+00 -2.103719068e+00 2.40 -2.361198594e+00 -2.361198594e+00 2.42 -2.592959861e+00 -2.592959861e+00 2.44 -2.800786103e+00 -2.800786103e+00 2.46 -2.986417303e+00 -2.986417303e+00 2.48 -3.151552590e+00 -3.151552590e+00 2.50 -3.297840973e+00 -3.297840973e+00 2.52 -3.426862094e+00 -3.426862094e+00 2.54 -3.540103691e+00 -3.540103691e+00 2.56 -3.638956010e+00 -3.638956010e+00 2.58 -3.724732296e+00 -3.724732296e+00 2.60 -3.798540873e+00 -3.798540873e+00 2.62 -3.861392640e+00 -3.861392640e+00 2.64 -3.914219109e+00 -3.914219109e+00 2.66 -3.957865593e+00 -3.957865593e+00 2.68 -3.993083108e+00 -3.993083108e+00 2.70 -4.020524505e+00 -4.020524505e+00 2.72 -4.040908991e+00 -4.040908991e+00 2.74 -4.055209354e+00 -4.055209354e+00 2.76 -4.064088623e+00 -4.064088623e+00 2.78 -4.067627422e+00 -4.067627422e+00 2.80 -4.065649317e+00 -4.065649317e+00 2.82 -4.058069637e+00 -4.058069637e+00 2.84 -4.044887902e+00 -4.044887902e+00 2.86 -4.026182033e+00 -4.026182033e+00 2.88 -4.002103315e+00 -4.002103315e+00 2.90 -3.972887006e+00 -3.972887006e+00 2.92 -3.938890360e+00 -3.938890360e+00 2.94 -3.900532507e+00 -3.900532507e+00 2.96 -3.858251600e+00 -3.858251600e+00 2.98 -3.812491825e+00 -3.812491825e+00 3.00 -3.763695379e+00 -3.763695379e+00 3.02 -3.712296501e+00 -3.712296501e+00 3.04 -3.658716222e+00 -3.658716222e+00 3.06 -3.603356179e+00 -3.603356179e+00 3.08 -3.546590088e+00 -3.546590088e+00 3.10 -3.488754571e+00 -3.488754571e+00 3.12 -3.430140923e+00 -3.430140923e+00 3.14 -3.370990631e+00 -3.370990631e+00 3.16 -3.311495058e+00 -3.311495058e+00 3.18 -3.251800030e+00 -3.251800030e+00 3.20 -3.192013176e+00 -3.192013176e+00 3.22 -3.132212637e+00 -3.132212637e+00 3.24 -3.072455596e+00 -3.072455596e+00 3.26 -3.012785665e+00 -3.012785665e+00 3.28 -2.953238716e+00 -2.953238716e+00 3.30 -2.893847137e+00 -2.893847137e+00 3.32 -2.834642740e+00 -2.834642740e+00 3.34 -2.775658618e+00 -2.775658618e+00 3.36 -2.716930277e+00 -2.716930277e+00 3.38 -2.658496291e+00 -2.658496291e+00 3.40 -2.600398691e+00 -2.600398691e+00 3.42 -2.542683316e+00 -2.542683316e+00 3.44 -2.485399971e+00 -2.485399971e+00 3.46 -2.428602689e+00 -2.428602689e+00 3.48 -2.372349749e+00 -2.372349749e+00 3.50 -2.316703341e+00 -2.316703341e+00 3.52 -2.261728618e+00 -2.261728618e+00 3.54 -2.207491930e+00 -2.207491930e+00 3.56 -2.154058174e+00 -2.154058174e+00 3.58 -2.101487457e+00 -2.101487457e+00 3.60 -2.049831515e+00 -2.049831515e+00 3.62 -1.999130498e+00 -1.999130498e+00 3.64 -1.949410702e+00 -1.949410702e+00 3.66 -1.900683614e+00 -1.900683614e+00 3.68 -1.852946318e+00 -1.852946318e+00 3.70 -1.806183042e+00 -1.806183042e+00 3.72 -1.760367444e+00 -1.760367444e+00 3.74 -1.715465220e+00 -1.715465220e+00 3.76 -1.671436712e+00 -1.671436712e+00 3.78 -1.628239279e+00 -1.628239279e+00 3.80 -1.585829340e+00 -1.585829340e+00 3.82 -1.544164030e+00 -1.544164030e+00 3.84 -1.503202506e+00 -1.503202506e+00 3.86 -1.462906923e+00 -1.462906923e+00 3.88 -1.423243128e+00 -1.423243128e+00 3.90 -1.384181141e+00 -1.384181141e+00 3.92 -1.345695439e+00 -1.345695439e+00 3.94 -1.307765285e+00 -1.307765285e+00 3.96 -1.270374723e+00 -1.270374723e+00 3.98 -1.233512847e+00 -1.233512847e+00 4.00 -1.197173915e+00 -1.197173915e+00 4.02 -1.161357449e+00 -1.161357449e+00 4.04 -1.126068265e+00 -1.126068265e+00 4.06 -1.091316335e+00 -1.091316335e+00 4.08 -1.057116427e+00 -1.057116427e+00 4.10 -1.023487402e+00 -1.023487402e+00 4.12 -9.904515811e-01 -9.904515811e-01 4.14 -9.580331719e-01 -9.580331719e-01 4.16 -9.262573347e-01 -9.262573347e-01 4.18 -8.951488962e-01 -8.951488962e-01 4.20 -8.647313270e-01 -8.647313270e-01 4.22 -8.350259981e-01 -8.350259981e-01 4.24 -8.060517350e-01 -8.060517350e-01 4.26 -7.778246052e-01 -7.778246052e-01 4.28 -7.503578058e-01 -7.503578058e-01 4.30 -7.236615022e-01 -7.236615022e-01 4.32 -6.977424943e-01 -6.977424943e-01 4.34 -6.726036616e-01 -6.726036616e-01 4.36 -6.482432280e-01 -6.482432280e-01 4.38 -6.246539645e-01 -6.246539645e-01 4.40 -6.018224975e-01 -6.018224975e-01 4.42 -5.797288842e-01 -5.797288842e-01 4.44 -5.583465811e-01 -5.583465811e-01 4.46 -5.376428631e-01 -5.376428631e-01 4.48 -5.175796805e-01 -5.175796805e-01 4.50 -4.981148841e-01 -4.981148841e-01 4.52 -4.792037132e-01 -4.792037132e-01 4.54 -4.608004293e-01 -4.608004293e-01 4.56 -4.428599842e-01 -4.428599842e-01 4.58 -4.253396303e-01 -4.253396303e-01 4.60 -4.082003966e-01 -4.082003966e-01 4.62 -3.914083712e-01 -3.914083712e-01 4.64 -3.749357403e-01 -3.749357403e-01 4.66 -3.587615398e-01 -3.587615398e-01 4.68 -3.428720817e-01 -3.428720817e-01 4.70 -3.272610264e-01 -3.272610264e-01 4.72 -3.119290886e-01 -3.119290886e-01 4.74 -2.968833900e-01 -2.968833900e-01 4.76 -2.821365046e-01 -2.821365046e-01 4.78 -2.677052772e-01 -2.677052772e-01 4.80 -2.536094766e-01 -2.536094766e-01 4.82 -2.398706993e-01 -2.398706993e-01 4.84 -2.265108975e-01 -2.265108975e-01 4.86 -2.135516517e-01 -2.135516517e-01 4.88 -2.010134459e-01 -2.010134459e-01 4.90 -1.889152715e-01 -1.889152715e-01 4.92 -1.772744516e-01 -1.772744516e-01 4.94 -1.661065966e-01 -1.661065966e-01 4.96 -1.554255882e-01 -1.554255882e-01 4.98 -1.452434985e-01 -1.452434985e-01 5.00 -1.355703844e-01 -1.355703844e-01 5.02 -1.264139437e-01 -1.264139437e-01 5.04 -1.177789503e-01 -1.177789503e-01 5.06 -1.096667618e-01 -1.096667618e-01 5.08 -1.020752789e-01 -1.020752789e-01 5.10 -9.499815013e-02 -9.499815013e-02 5.12 -8.842462717e-02 -8.842462717e-02 5.14 -8.233966146e-02 -8.233966146e-02 5.16 -7.672415025e-02 -7.672415025e-02 5.18 -7.155539769e-02 -7.155539769e-02 5.20 -6.680829379e-02 -6.680829379e-02 5.22 -6.245561926e-02 -6.245561926e-02 5.24 -5.846880135e-02 -5.846880135e-02 5.26 -5.481867563e-02 -5.481867563e-02 5.28 -5.147616207e-02 -5.147616207e-02 5.30 -4.841283083e-02 -4.841283083e-02 5.32 -4.560134772e-02 -4.560134772e-02 5.34 -4.301580113e-02 -4.301580113e-02 5.36 -4.063192042e-02 -4.063192042e-02 5.38 -3.842720120e-02 -3.842720120e-02 5.40 -3.638095557e-02 -3.638095557e-02 5.42 -3.447430392e-02 -3.447430392e-02 5.44 -3.269012511e-02 -3.269012511e-02 5.46 -3.101298334e-02 -3.101298334e-02 5.48 -2.942904009e-02 -2.942904009e-02 5.50 -2.792596221e-02 -2.792596221e-02 5.52 -2.649283381e-02 -2.649283381e-02 5.54 -2.512007718e-02 -2.512007718e-02 5.56 -2.379938551e-02 -2.379938551e-02 5.58 -2.252366942e-02 -2.252366942e-02 5.60 -2.128701692e-02 -2.128701692e-02 5.62 -2.008465988e-02 -2.008465988e-02 5.64 -1.891294746e-02 -1.891294746e-02 5.66 -1.776931914e-02 -1.776931914e-02 5.68 -1.665227047e-02 -1.665227047e-02 5.70 -1.556130422e-02 -1.556130422e-02 5.72 -1.449685999e-02 -1.449685999e-02 5.74 -1.346021693e-02 -1.346021693e-02 5.76 -1.245336634e-02 -1.245336634e-02 5.78 -1.147881797e-02 -1.147881797e-02 5.80 -1.053942257e-02 -1.053942257e-02 5.82 -9.638306899e-03 -9.638306899e-03 5.84 -8.778563324e-03 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