# 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 = Al2PdTa # 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 2.052471685e+02 2.052471685e+02 1.30 1.909568419e+02 1.909568419e+02 1.32 1.776749966e+02 1.776749966e+02 1.34 1.653202096e+02 1.653202096e+02 1.36 1.538173922e+02 1.538173922e+02 1.38 1.430971922e+02 1.430971922e+02 1.40 1.330963870e+02 1.330963870e+02 1.42 1.237587903e+02 1.237587903e+02 1.44 1.150359042e+02 1.150359042e+02 1.46 1.068867325e+02 1.068867325e+02 1.48 9.927635073e+01 9.927635073e+01 1.50 9.217333495e+01 9.217333495e+01 1.52 8.554705747e+01 8.554705747e+01 1.54 7.936610277e+01 7.936610277e+01 1.56 7.359821883e+01 7.359821883e+01 1.58 6.821131380e+01 6.821131380e+01 1.60 6.317476898e+01 6.317476898e+01 1.62 5.846054431e+01 5.846054431e+01 1.64 5.404382259e+01 5.404382259e+01 1.66 4.990311050e+01 4.990311050e+01 1.68 4.601981740e+01 4.601981740e+01 1.70 4.238030411e+01 4.238030411e+01 1.72 3.897172146e+01 3.897172146e+01 1.74 3.577919640e+01 3.577919640e+01 1.76 3.279853320e+01 3.279853320e+01 1.78 3.001911850e+01 3.001911850e+01 1.80 2.742631174e+01 2.742631174e+01 1.82 2.500940571e+01 2.500940571e+01 1.84 2.275710242e+01 2.275710242e+01 1.86 2.065841330e+01 2.065841330e+01 1.88 1.870350696e+01 1.870350696e+01 1.90 1.688352702e+01 1.688352702e+01 1.92 1.519040181e+01 1.519040181e+01 1.94 1.361666374e+01 1.361666374e+01 1.96 1.215528980e+01 1.215528980e+01 1.98 1.079956497e+01 1.079956497e+01 2.00 9.542970370e+00 9.542970370e+00 2.02 8.379111425e+00 8.379111425e+00 2.04 7.301707201e+00 7.301707201e+00 2.06 6.304642603e+00 6.304642603e+00 2.08 5.382057303e+00 5.382057303e+00 2.10 4.528434118e+00 4.528434118e+00 2.12 3.738660022e+00 3.738660022e+00 2.14 3.008051537e+00 3.008051537e+00 2.16 2.332350313e+00 2.332350313e+00 2.18 1.707699911e+00 1.707699911e+00 2.20 1.130612589e+00 1.130612589e+00 2.22 5.979295311e-01 5.979295311e-01 2.24 1.067747914e-01 1.067747914e-01 2.26 -3.454958814e-01 -3.454958814e-01 2.28 -7.613468817e-01 -7.613468817e-01 2.30 -1.143108297e+00 -1.143108297e+00 2.32 -1.493008521e+00 -1.493008521e+00 2.34 -1.813189382e+00 -1.813189382e+00 2.36 -2.105703573e+00 -2.105703573e+00 2.38 -2.372457427e+00 -2.372457427e+00 2.40 -2.615182005e+00 -2.615182005e+00 2.42 -2.835702955e+00 -2.835702955e+00 2.44 -3.035676530e+00 -3.035676530e+00 2.46 -3.216577251e+00 -3.216577251e+00 2.48 -3.379728011e+00 -3.379728011e+00 2.50 -3.526339103e+00 -3.526339103e+00 2.52 -3.657521153e+00 -3.657521153e+00 2.54 -3.774139336e+00 -3.774139336e+00 2.56 -3.877019511e+00 -3.877019511e+00 2.58 -3.967083730e+00 -3.967083730e+00 2.60 -4.045340098e+00 -4.045340098e+00 2.62 -4.112854982e+00 -4.112854982e+00 2.64 -4.170704137e+00 -4.170704137e+00 2.66 -4.219909825e+00 -4.219909825e+00 2.68 -4.261380655e+00 -4.261380655e+00 2.70 -4.295871038e+00 -4.295871038e+00 2.72 -4.323969153e+00 -4.323969153e+00 2.74 -4.346111246e+00 -4.346111246e+00 2.76 -4.362612638e+00 -4.362612638e+00 2.78 -4.373763724e+00 -4.373763724e+00 2.80 -4.379997955e+00 -4.379997955e+00 2.82 -4.381376800e+00 -4.381376800e+00 2.84 -4.377934204e+00 -4.377934204e+00 2.86 -4.369735982e+00 -4.369735982e+00 2.88 -4.356881992e+00 -4.356881992e+00 2.90 -4.340280160e+00 -4.340280160e+00 2.92 -4.320571061e+00 -4.320571061e+00 2.94 -4.297535628e+00 -4.297535628e+00 2.96 -4.271038546e+00 -4.271038546e+00 2.98 -4.241039999e+00 -4.241039999e+00 3.00 -4.207570208e+00 -4.207570208e+00 3.02 -4.170705499e+00 -4.170705499e+00 3.04 -4.130563643e+00 -4.130563643e+00 3.06 -4.087298951e+00 -4.087298951e+00 3.08 -4.041106562e+00 -4.041106562e+00 3.10 -3.992217951e+00 -3.992217951e+00 3.12 -3.940865933e+00 -3.940865933e+00 3.14 -3.887272628e+00 -3.887272628e+00 3.16 -3.831643031e+00 -3.831643031e+00 3.18 -3.774163660e+00 -3.774163660e+00 3.20 -3.715005856e+00 -3.715005856e+00 3.22 -3.654332353e+00 -3.654332353e+00 3.24 -3.592304992e+00 -3.592304992e+00 3.26 -3.529091517e+00 -3.529091517e+00 3.28 -3.464869806e+00 -3.464869806e+00 3.30 -3.399828677e+00 -3.399828677e+00 3.32 -3.334165116e+00 -3.334165116e+00 3.34 -3.268078512e+00 -3.268078512e+00 3.36 -3.201762928e+00 -3.201762928e+00 3.38 -3.135398753e+00 -3.135398753e+00 3.40 -3.069145015e+00 -3.069145015e+00 3.42 -3.003133442e+00 -3.003133442e+00 3.44 -2.937464859e+00 -2.937464859e+00 3.46 -2.872208163e+00 -2.872208163e+00 3.48 -2.807401618e+00 -2.807401618e+00 3.50 -2.743056014e+00 -2.743056014e+00 3.52 -2.679159101e+00 -2.679159101e+00 3.54 -2.615680751e+00 -2.615680751e+00 3.56 -2.552578401e+00 -2.552578401e+00 3.58 -2.489802479e+00 -2.489802479e+00 3.60 -2.427301646e+00 -2.427301646e+00 3.62 -2.365027767e+00 -2.365027767e+00 3.64 -2.302940597e+00 -2.302940597e+00 3.66 -2.241012127e+00 -2.241012127e+00 3.68 -2.179230516e+00 -2.179230516e+00 3.70 -2.117603486e+00 -2.117603486e+00 3.72 -2.056160952e+00 -2.056160952e+00 3.74 -1.994956654e+00 -1.994956654e+00 3.76 -1.934068527e+00 -1.934068527e+00 3.78 -1.873597571e+00 -1.873597571e+00 3.80 -1.813665109e+00 -1.813665109e+00 3.82 -1.754408450e+00 -1.754408450e+00 3.84 -1.695975146e+00 -1.695975146e+00 3.86 -1.638516248e+00 -1.638516248e+00 3.88 -1.582179090e+00 -1.582179090e+00 3.90 -1.527100228e+00 -1.527100228e+00 3.92 -1.473399151e+00 -1.473399151e+00 3.94 -1.421173357e+00 -1.421173357e+00 3.96 -1.370495046e+00 -1.370495046e+00 3.98 -1.321409750e+00 -1.321409750e+00 4.00 -1.273936744e+00 -1.273936744e+00 4.02 -1.228071058e+00 -1.228071058e+00 4.04 -1.183786716e+00 -1.183786716e+00 4.06 -1.141040777e+00 -1.141040777e+00 4.08 -1.099777754e+00 -1.099777754e+00 4.10 -1.059934014e+00 -1.059934014e+00 4.12 -1.021442002e+00 -1.021442002e+00 4.14 -9.842338062e-01 -9.842338062e-01 4.16 -9.482444065e-01 -9.482444065e-01 4.18 -9.134142780e-01 -9.134142780e-01 4.20 -8.796914814e-01 -8.796914814e-01 4.22 -8.470332150e-01 -8.470332150e-01 4.24 -8.154067657e-01 -8.154067657e-01 4.26 -7.847897599e-01 -7.847897599e-01 4.28 -7.551695973e-01 -7.551695973e-01 4.30 -7.265419975e-01 -7.265419975e-01 4.32 -6.989086805e-01 -6.989086805e-01 4.34 -6.722743433e-01 -6.722743433e-01 4.36 -6.466432210e-01 -6.466432210e-01 4.38 -6.220156226e-01 -6.220156226e-01 4.40 -5.983848502e-01 -5.983848502e-01 4.42 -5.757348554e-01 -5.757348554e-01 4.44 -5.540388664e-01 -5.540388664e-01 4.46 -5.332590605e-01 -5.332590605e-01 4.48 -5.133472110e-01 -5.133472110e-01 4.50 -4.942461207e-01 -4.942461207e-01 4.52 -4.758915929e-01 -4.758915929e-01 4.54 -4.582146831e-01 -4.582146831e-01 4.56 -4.411440033e-01 -4.411440033e-01 4.58 -4.246079066e-01 -4.246079066e-01 4.60 -4.085364385e-01 -4.085364385e-01 4.62 -3.928629970e-01 -3.928629970e-01 4.64 -3.775256830e-01 -3.775256830e-01 4.66 -3.624683528e-01 -3.624683528e-01 4.68 -3.476414000e-01 -3.476414000e-01 4.70 -3.330023015e-01 -3.330023015e-01 4.72 -3.185159688e-01 -3.185159688e-01 4.74 -3.041549477e-01 -3.041549477e-01 4.76 -2.898995083e-01 -2.898995083e-01 4.78 -2.757376810e-01 -2.757376810e-01 4.80 -2.616652479e-01 -2.616652479e-01 4.82 -2.476857889e-01 -2.476857889e-01 4.84 -2.338106128e-01 -2.338106128e-01 4.86 -2.200587698e-01 -2.200587698e-01 4.88 -2.064569295e-01 -2.064569295e-01 4.90 -1.930390933e-01 -1.930390933e-01 4.92 -1.798460229e-01 -1.798460229e-01 4.94 -1.669242568e-01 -1.669242568e-01 4.96 -1.543244104e-01 -1.543244104e-01 4.98 -1.421004573e-01 -1.421004573e-01 5.00 -1.303069885e-01 -1.303069885e-01 5.02 -1.189966927e-01 -1.189966927e-01 5.04 -1.082180164e-01 -1.082180164e-01 5.06 -9.801297550e-02 -9.801297550e-02 5.08 -8.841531796e-02 -8.841531796e-02 5.10 -7.944919203e-02 -7.944919203e-02 5.12 -7.112841591e-02 -7.112841591e-02 5.14 -6.345637125e-02 -6.345637125e-02 5.16 -5.642647505e-02 -5.642647505e-02 5.18 -5.002313106e-02 -5.002313106e-02 5.20 -4.422302969e-02 -4.422302969e-02 5.22 -3.899665132e-02 -3.899665132e-02 5.24 -3.430982876e-02 -3.430982876e-02 5.26 -3.012528814e-02 -3.012528814e-02 5.28 -2.640404976e-02 -2.640404976e-02 5.30 -2.310665224e-02 -2.310665224e-02 5.32 -2.019413599e-02 -2.019413599e-02 5.34 -1.762882708e-02 -1.762882708e-02 5.36 -1.537491520e-02 -1.537491520e-02 5.38 -1.339857827e-02 -1.339857827e-02 5.40 -1.166881838e-02 -1.166881838e-02 5.42 -1.015740396e-02 -1.015740396e-02 5.44 -8.838619001e-03 -8.838619001e-03 5.46 -7.689239947e-03 -7.689239947e-03 5.48 -6.688444476e-03 -6.688444476e-03 5.50 -5.817675435e-03 -5.817675435e-03 5.52 -5.060477957e-03 -5.060477957e-03 5.54 -4.402323276e-03 -4.402323276e-03 5.56 -3.830429093e-03 -3.830429093e-03 5.58 -3.333583370e-03 -3.333583370e-03 5.60 -2.901976127e-03 -2.901976127e-03 5.62 -2.527042108e-03 -2.527042108e-03 5.64 -2.201315846e-03 -2.201315846e-03 5.66 -1.918299764e-03 -1.918299764e-03 5.68 -1.672345286e-03 -1.672345286e-03 5.70 -1.458546512e-03 -1.458546512e-03 5.72 -1.272645725e-03 -1.272645725e-03 5.74 -1.110949857e-03 -1.110949857e-03 5.76 -9.702569515e-04 -9.702569515e-04 5.78 -8.477916667e-04 -8.477916667e-04 5.80 -7.411488677e-04 -7.411488677e-04 5.82 -6.482444174e-04 -6.482444174e-04 5.84 -5.672723322e-04 -5.672723322e-04 5.86 -4.966675423e-04 -4.966675423e-04 5.88 -4.350735670e-04 -4.350735670e-04 5.90 -3.813144863e-04 -3.813144863e-04 5.92 -3.343706614e-04 -3.343706614e-04 5.94 -2.933577140e-04 -2.933577140e-04 5.96 -2.575083391e-04 -2.575083391e-04 5.98 -2.261565744e-04 -2.261565744e-04 6.00 -1.987241976e-04 -1.987241976e-04