# 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 = AuFeNi2 # 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 1.763629630e+02 1.763629630e+02 1.30 1.617227854e+02 1.617227854e+02 1.32 1.482638138e+02 1.482638138e+02 1.34 1.358849367e+02 1.358849367e+02 1.36 1.244944036e+02 1.244944036e+02 1.38 1.140095891e+02 1.140095891e+02 1.40 1.043557901e+02 1.043557901e+02 1.42 9.546487183e+01 9.546487183e+01 1.44 8.727428540e+01 8.727428540e+01 1.46 7.972660604e+01 7.972660604e+01 1.48 7.276950449e+01 7.276950449e+01 1.50 6.635576232e+01 6.635576232e+01 1.52 6.044286279e+01 6.044286279e+01 1.54 5.499208703e+01 5.499208703e+01 1.56 4.996752453e+01 4.996752453e+01 1.58 4.533546418e+01 4.533546418e+01 1.60 4.106433154e+01 4.106433154e+01 1.62 3.712497397e+01 3.712497397e+01 1.64 3.349718165e+01 3.349718165e+01 1.66 3.016674145e+01 3.016674145e+01 1.68 2.711000576e+01 2.711000576e+01 1.70 2.430493381e+01 2.430493381e+01 1.72 2.173096295e+01 2.173096295e+01 1.74 1.936898200e+01 1.936898200e+01 1.76 1.720146563e+01 1.720146563e+01 1.78 1.521260279e+01 1.521260279e+01 1.80 1.338827068e+01 1.338827068e+01 1.82 1.171582571e+01 1.171582571e+01 1.84 1.018381267e+01 1.018381267e+01 1.86 8.781700135e+00 8.781700135e+00 1.88 7.499676761e+00 7.499676761e+00 1.90 6.328498957e+00 6.328498957e+00 1.92 5.259386686e+00 5.259386686e+00 1.94 4.283979095e+00 4.283979095e+00 1.96 3.394355606e+00 3.394355606e+00 1.98 2.583104495e+00 2.583104495e+00 2.00 1.843401038e+00 1.843401038e+00 2.02 1.169059204e+00 1.169059204e+00 2.04 5.545405111e-01 5.545405111e-01 2.06 -5.076760237e-03 -5.076760237e-03 2.08 -5.141555394e-01 -5.141555394e-01 2.10 -9.765720874e-01 -9.765720874e-01 2.12 -1.395792536e+00 -1.395792536e+00 2.14 -1.774947927e+00 -1.774947927e+00 2.16 -2.116904230e+00 -2.116904230e+00 2.18 -2.424324282e+00 -2.424324282e+00 2.20 -2.699717860e+00 -2.699717860e+00 2.22 -2.945475809e+00 -2.945475809e+00 2.24 -3.163886007e+00 -3.163886007e+00 2.26 -3.357133648e+00 -3.357133648e+00 2.28 -3.527293825e+00 -3.527293825e+00 2.30 -3.676326130e+00 -3.676326130e+00 2.32 -3.806075611e+00 -3.806075611e+00 2.34 -3.918275223e+00 -3.918275223e+00 2.36 -4.014540404e+00 -4.014540404e+00 2.38 -4.096352052e+00 -4.096352052e+00 2.40 -4.165035328e+00 -4.165035328e+00 2.42 -4.221747910e+00 -4.221747910e+00 2.44 -4.267487947e+00 -4.267487947e+00 2.46 -4.303116461e+00 -4.303116461e+00 2.48 -4.329392353e+00 -4.329392353e+00 2.50 -4.347015067e+00 -4.347015067e+00 2.52 -4.356729098e+00 -4.356729098e+00 2.54 -4.359110204e+00 -4.359110204e+00 2.56 -4.354680064e+00 -4.354680064e+00 2.58 -4.343961378e+00 -4.343961378e+00 2.60 -4.327250996e+00 -4.327250996e+00 2.62 -4.304681330e+00 -4.304681330e+00 2.64 -4.276451100e+00 -4.276451100e+00 2.66 -4.242812147e+00 -4.242812147e+00 2.68 -4.204051491e+00 -4.204051491e+00 2.70 -4.160494663e+00 -4.160494663e+00 2.72 -4.112483112e+00 -4.112483112e+00 2.74 -4.060291253e+00 -4.060291253e+00 2.76 -4.004214140e+00 -4.004214140e+00 2.78 -3.944589479e+00 -3.944589479e+00 2.80 -3.881775889e+00 -3.881775889e+00 2.82 -3.816132349e+00 -3.816132349e+00 2.84 -3.748002689e+00 -3.748002689e+00 2.86 -3.677706823e+00 -3.677706823e+00 2.88 -3.605537921e+00 -3.605537921e+00 2.90 -3.531763364e+00 -3.531763364e+00 2.92 -3.456627336e+00 -3.456627336e+00 2.94 -3.380353766e+00 -3.380353766e+00 2.96 -3.303149224e+00 -3.303149224e+00 2.98 -3.225205779e+00 -3.225205779e+00 3.00 -3.146703815e+00 -3.146703815e+00 3.02 -3.067814513e+00 -3.067814513e+00 3.04 -2.988701596e+00 -2.988701596e+00 3.06 -2.909522023e+00 -2.909522023e+00 3.08 -2.830425734e+00 -2.830425734e+00 3.10 -2.751554979e+00 -2.751554979e+00 3.12 -2.673044077e+00 -2.673044077e+00 3.14 -2.595020325e+00 -2.595020325e+00 3.16 -2.517606337e+00 -2.517606337e+00 3.18 -2.440923503e+00 -2.440923503e+00 3.20 -2.365095723e+00 -2.365095723e+00 3.22 -2.290252414e+00 -2.290252414e+00 3.24 -2.216529873e+00 -2.216529873e+00 3.26 -2.144070452e+00 -2.144070452e+00 3.28 -2.073019462e+00 -2.073019462e+00 3.30 -2.003520153e+00 -2.003520153e+00 3.32 -1.935707484e+00 -1.935707484e+00 3.34 -1.869701579e+00 -1.869701579e+00 3.36 -1.805601774e+00 -1.805601774e+00 3.38 -1.743482032e+00 -1.743482032e+00 3.40 -1.683388223e+00 -1.683388223e+00 3.42 -1.625337448e+00 -1.625337448e+00 3.44 -1.569319278e+00 -1.569319278e+00 3.46 -1.515298560e+00 -1.515298560e+00 3.48 -1.463219294e+00 -1.463219294e+00 3.50 -1.413009080e+00 -1.413009080e+00 3.52 -1.364583661e+00 -1.364583661e+00 3.54 -1.317851215e+00 -1.317851215e+00 3.56 -1.272716138e+00 -1.272716138e+00 3.58 -1.229082207e+00 -1.229082207e+00 3.60 -1.186855078e+00 -1.186855078e+00 3.62 -1.145944185e+00 -1.145944185e+00 3.64 -1.106264143e+00 -1.106264143e+00 3.66 -1.067735793e+00 -1.067735793e+00 3.68 -1.030287043e+00 -1.030287043e+00 3.70 -9.938536463e-01 -9.938536463e-01 3.72 -9.583800064e-01 -9.583800064e-01 3.74 -9.238200508e-01 -9.238200508e-01 3.76 -8.901381149e-01 -8.901381149e-01 3.78 -8.573097064e-01 -8.573097064e-01 3.80 -8.253219275e-01 -8.253219275e-01 3.82 -7.941732919e-01 -7.941732919e-01 3.84 -7.638726873e-01 -7.638726873e-01 3.86 -7.344373250e-01 -7.344373250e-01 3.88 -7.058896861e-01 -7.058896861e-01 3.90 -6.782536907e-01 -6.782536907e-01 3.92 -6.515505148e-01 -6.515505148e-01 3.94 -6.257946104e-01 -6.257946104e-01 3.96 -6.009904722e-01 -6.009904722e-01 3.98 -5.771305754e-01 -5.771305754e-01 4.00 -5.541946659e-01 -5.541946659e-01 4.02 -5.321503464e-01 -5.321503464e-01 4.04 -5.109546977e-01 -5.109546977e-01 4.06 -4.905565676e-01 -4.905565676e-01 4.08 -4.708991505e-01 -4.708991505e-01 4.10 -4.519225440e-01 -4.519225440e-01 4.12 -4.335660778e-01 -4.335660778e-01 4.14 -4.157702920e-01 -4.157702920e-01 4.16 -3.984785621e-01 -3.984785621e-01 4.18 -3.816383854e-01 -3.816383854e-01 4.20 -3.652023906e-01 -3.652023906e-01 4.22 -3.491291307e-01 -3.491291307e-01 4.24 -3.333837090e-01 -3.333837090e-01 4.26 -3.179382769e-01 -3.179382769e-01 4.28 -3.027724242e-01 -3.027724242e-01 4.30 -2.878734749e-01 -2.878734749e-01 4.32 -2.732366841e-01 -2.732366841e-01 4.34 -2.588653249e-01 -2.588653249e-01 4.36 -2.447706290e-01 -2.447706290e-01 4.38 -2.309715292e-01 -2.309715292e-01 4.40 -2.174941270e-01 -2.174941270e-01 4.42 -2.043707975e-01 -2.043707975e-01 4.44 -1.916388570e-01 -1.916388570e-01 4.46 -1.793387571e-01 -1.793387571e-01 4.48 -1.675118428e-01 -1.675118428e-01 4.50 -1.561977994e-01 -1.561977994e-01 4.52 -1.454320000e-01 -1.454320000e-01 4.54 -1.352430238e-01 -1.352430238e-01 4.56 -1.256506169e-01 -1.256506169e-01 4.58 -1.166643266e-01 -1.166643266e-01 4.60 -1.082829391e-01 -1.082829391e-01 4.62 -1.004947390e-01 -1.004947390e-01 4.64 -9.327849855e-02 -9.327849855e-02 4.66 -8.660502239e-02 -8.660502239e-02 4.68 -8.043903029e-02 -8.043903029e-02 4.70 -7.474117263e-02 -7.474117263e-02 4.72 -6.946998512e-02 -6.946998512e-02 4.74 -6.458335041e-02 -6.458335041e-02 4.76 -6.004034789e-02 -6.004034789e-02 4.78 -5.580323990e-02 -5.580323990e-02 4.80 -5.183737315e-02 -5.183737315e-02 4.82 -4.811177926e-02 -4.811177926e-02 4.84 -4.459963859e-02 -4.459963859e-02 4.86 -4.127848947e-02 -4.127848947e-02 4.88 -3.813022000e-02 -3.813022000e-02 4.90 -3.514088223e-02 -3.514088223e-02 4.92 -3.230035720e-02 -3.230035720e-02 4.94 -2.960189655e-02 -2.960189655e-02 4.96 -2.704156681e-02 -2.704156681e-02 4.98 -2.461762355e-02 -2.461762355e-02 5.00 -2.232985081e-02 -2.232985081e-02 5.02 -2.017890226e-02 -2.017890226e-02 5.04 -1.816568180e-02 -1.816568180e-02 5.06 -1.629079999e-02 -1.629079999e-02 5.08 -1.455413592e-02 -1.455413592e-02 5.10 -1.295432477e-02 -1.295432477e-02 5.12 -1.148887909e-02 -1.148887909e-02 5.14 -1.015430763e-02 -1.015430763e-02 5.16 -8.945826295e-03 -8.945826295e-03 5.18 -7.857511668e-03 -7.857511668e-03 5.20 -6.882514545e-03 -6.882514545e-03 5.22 -6.013304408e-03 -6.013304408e-03 5.24 -5.241920313e-03 -5.241920313e-03 5.26 -4.560208650e-03 -4.560208650e-03 5.28 -3.960034175e-03 -3.960034175e-03 5.30 -3.433456325e-03 -3.433456325e-03 5.32 -2.972867696e-03 -2.972867696e-03 5.34 -2.571095273e-03 -2.571095273e-03 5.36 -2.221467574e-03 -2.221467574e-03 5.38 -1.917852330e-03 -1.917852330e-03 5.40 -1.654670003e-03 -1.654670003e-03 5.42 -1.426888423e-03 -1.426888423e-03 5.44 -1.230003458e-03 -1.230003458e-03 5.46 -1.060009979e-03 -1.060009979e-03 5.48 -9.133666903e-04 -9.133666903e-04 5.50 -7.869576436e-04 -7.869576436e-04 5.52 -6.780526217e-04 -6.780526217e-04 5.54 -5.842679673e-04 -5.842679673e-04 5.56 -5.035289721e-04 -5.035289721e-04 5.58 -4.340345450e-04 -4.340345450e-04 5.60 -3.742245822e-04 -3.742245822e-04 5.62 -3.227502379e-04 -3.227502379e-04 5.64 -2.784471302e-04 -2.784471302e-04 5.66 -2.403114087e-04 -2.403114087e-04 5.68 -2.074785339e-04 -2.074785339e-04 5.70 -1.792045759e-04 -1.792045759e-04 5.72 -1.548498170e-04 -1.548498170e-04 5.74 -1.338644355e-04 -1.338644355e-04 5.76 -1.157760507e-04 -1.157760507e-04 5.78 -1.001789194e-04 -1.001789194e-04 5.80 -8.672458850e-05 -8.672458850e-05 5.82 -7.511382379e-05 -7.511382379e-05 5.84 -6.508965289e-05 -6.508965289e-05 5.86 -5.643137697e-05 -5.643137697e-05 5.88 -4.894942225e-05 -4.894942225e-05 5.90 -4.248091763e-05 -4.248091763e-05 5.92 -3.688589890e-05 -3.688589890e-05 5.94 -3.204405249e-05 -3.204405249e-05 5.96 -2.785192337e-05 -2.785192337e-05 5.98 -2.422052162e-05 -2.422052162e-05 6.00 -2.107327111e-05 -2.107327111e-05