# 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 = AgAl2Pt # 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 1.826922232e+02 1.826922232e+02 1.30 1.700484900e+02 1.700484900e+02 1.32 1.582497036e+02 1.582497036e+02 1.34 1.472382024e+02 1.472382024e+02 1.36 1.369626061e+02 1.369626061e+02 1.38 1.273697520e+02 1.273697520e+02 1.40 1.184031118e+02 1.184031118e+02 1.42 1.100074970e+02 1.100074970e+02 1.44 1.021352741e+02 1.021352741e+02 1.46 9.474989945e+01 9.474989945e+01 1.48 8.782476652e+01 8.782476652e+01 1.50 8.133808329e+01 8.133808329e+01 1.52 7.526720722e+01 7.526720722e+01 1.54 6.958583090e+01 6.958583090e+01 1.56 6.426457262e+01 6.426457262e+01 1.58 5.927323911e+01 5.927323911e+01 1.60 5.458304386e+01 5.458304386e+01 1.62 5.016818343e+01 5.016818343e+01 1.64 4.601043462e+01 4.601043462e+01 1.66 4.214210666e+01 4.214210666e+01 1.68 3.856047007e+01 3.856047007e+01 1.70 3.524983615e+01 3.524983615e+01 1.72 3.219379206e+01 3.219379206e+01 1.74 2.937471710e+01 2.937471710e+01 1.76 2.677454347e+01 2.677454347e+01 1.78 2.437499375e+01 2.437499375e+01 1.80 2.215830032e+01 2.215830032e+01 1.82 2.010800167e+01 2.010800167e+01 1.84 1.820943318e+01 1.820943318e+01 1.86 1.644980227e+01 1.644980227e+01 1.88 1.481798912e+01 1.481798912e+01 1.90 1.330427379e+01 1.330427379e+01 1.92 1.190010498e+01 1.190010498e+01 1.94 1.059791847e+01 1.059791847e+01 1.96 9.390965424e+00 9.390965424e+00 1.98 8.273125354e+00 8.273125354e+00 2.00 7.238718406e+00 7.238718406e+00 2.02 6.282356203e+00 6.282356203e+00 2.04 5.398861933e+00 5.398861933e+00 2.06 4.583253673e+00 4.583253673e+00 2.08 3.830755393e+00 3.830755393e+00 2.10 3.136804151e+00 3.136804151e+00 2.12 2.497047734e+00 2.497047734e+00 2.14 1.907346394e+00 1.907346394e+00 2.16 1.363792086e+00 1.363792086e+00 2.18 8.627455164e-01 8.627455164e-01 2.20 4.008785880e-01 4.008785880e-01 2.22 -2.479422263e-02 -2.479422263e-02 2.24 -4.169065371e-01 -4.169065371e-01 2.26 -7.777543951e-01 -7.777543951e-01 2.28 -1.109328509e+00 -1.109328509e+00 2.30 -1.413356404e+00 -1.413356404e+00 2.32 -1.691348518e+00 -1.691348518e+00 2.34 -1.944644727e+00 -1.944644727e+00 2.36 -2.174459965e+00 -2.174459965e+00 2.38 -2.381927299e+00 -2.381927299e+00 2.40 -2.568189914e+00 -2.568189914e+00 2.42 -2.735302185e+00 -2.735302185e+00 2.44 -2.884487551e+00 -2.884487551e+00 2.46 -3.016595329e+00 -3.016595329e+00 2.48 -3.132553225e+00 -3.132553225e+00 2.50 -3.233368720e+00 -3.233368720e+00 2.52 -3.320129305e+00 -3.320129305e+00 2.54 -3.393999532e+00 -3.393999532e+00 2.56 -3.456211287e+00 -3.456211287e+00 2.58 -3.508043316e+00 -3.508043316e+00 2.60 -3.550786723e+00 -3.550786723e+00 2.62 -3.585695508e+00 -3.585695508e+00 2.64 -3.613926473e+00 -3.613926473e+00 2.66 -3.636479286e+00 -3.636479286e+00 2.68 -3.654151798e+00 -3.654151798e+00 2.70 -3.667522368e+00 -3.667522368e+00 2.72 -3.676962260e+00 -3.676962260e+00 2.74 -3.682671363e+00 -3.682671363e+00 2.76 -3.685037005e+00 -3.685037005e+00 2.78 -3.684931020e+00 -3.684931020e+00 2.80 -3.682000725e+00 -3.682000725e+00 2.82 -3.675863167e+00 -3.675863167e+00 2.84 -3.666213442e+00 -3.666213442e+00 2.86 -3.652827188e+00 -3.652827188e+00 2.88 -3.635563604e+00 -3.635563604e+00 2.90 -3.614369612e+00 -3.614369612e+00 2.92 -3.589284355e+00 -3.589284355e+00 2.94 -3.560444802e+00 -3.560444802e+00 2.96 -3.528149092e+00 -3.528149092e+00 2.98 -3.492720318e+00 -3.492720318e+00 3.00 -3.454515310e+00 -3.454515310e+00 3.02 -3.413942595e+00 -3.413942595e+00 3.04 -3.371435506e+00 -3.371435506e+00 3.06 -3.327425102e+00 -3.327425102e+00 3.08 -3.282315530e+00 -3.282315530e+00 3.10 -3.236463985e+00 -3.236463985e+00 3.12 -3.190166427e+00 -3.190166427e+00 3.14 -3.143650099e+00 -3.143650099e+00 3.16 -3.097073350e+00 -3.097073350e+00 3.18 -3.050533768e+00 -3.050533768e+00 3.20 -3.004076299e+00 -3.004076299e+00 3.22 -2.957704814e+00 -2.957704814e+00 3.24 -2.911395563e+00 -2.911395563e+00 3.26 -2.865109316e+00 -2.865109316e+00 3.28 -2.818802026e+00 -2.818802026e+00 3.30 -2.772449529e+00 -2.772449529e+00 3.32 -2.726049640e+00 -2.726049640e+00 3.34 -2.679604541e+00 -2.679604541e+00 3.36 -2.633122778e+00 -2.633122778e+00 3.38 -2.586620923e+00 -2.586620923e+00 3.40 -2.540124184e+00 -2.540124184e+00 3.42 -2.493666235e+00 -2.493666235e+00 3.44 -2.447288405e+00 -2.447288405e+00 3.46 -2.401038441e+00 -2.401038441e+00 3.48 -2.354968896e+00 -2.354968896e+00 3.50 -2.309135315e+00 -2.309135315e+00 3.52 -2.263594298e+00 -2.263594298e+00 3.54 -2.218401587e+00 -2.218401587e+00 3.56 -2.173610243e+00 -2.173610243e+00 3.58 -2.129269014e+00 -2.129269014e+00 3.60 -2.085420931e+00 -2.085420931e+00 3.62 -2.042102172e+00 -2.042102172e+00 3.64 -1.999341199e+00 -1.999341199e+00 3.66 -1.957158187e+00 -1.957158187e+00 3.68 -1.915564725e+00 -1.915564725e+00 3.70 -1.874563794e+00 -1.874563794e+00 3.72 -1.834150012e+00 -1.834150012e+00 3.74 -1.794310125e+00 -1.794310125e+00 3.76 -1.755023745e+00 -1.755023745e+00 3.78 -1.716264266e+00 -1.716264266e+00 3.80 -1.677999965e+00 -1.677999965e+00 3.82 -1.640195182e+00 -1.640195182e+00 3.84 -1.602811554e+00 -1.602811554e+00 3.86 -1.565809229e+00 -1.565809229e+00 3.88 -1.529147988e+00 -1.529147988e+00 3.90 -1.492788260e+00 -1.492788260e+00 3.92 -1.456691972e+00 -1.456691972e+00 3.94 -1.420823305e+00 -1.420823305e+00 3.96 -1.385149254e+00 -1.385149254e+00 3.98 -1.349640215e+00 -1.349640215e+00 4.00 -1.314270527e+00 -1.314270527e+00 4.02 -1.279019118e+00 -1.279019118e+00 4.04 -1.243870286e+00 -1.243870286e+00 4.06 -1.208814672e+00 -1.208814672e+00 4.08 -1.173850406e+00 -1.173850406e+00 4.10 -1.138984371e+00 -1.138984371e+00 4.12 -1.104233573e+00 -1.104233573e+00 4.14 -1.069626164e+00 -1.069626164e+00 4.16 -1.035202341e+00 -1.035202341e+00 4.18 -1.001014596e+00 -1.001014596e+00 4.20 -9.671272920e-01 -9.671272920e-01 4.22 -9.336154344e-01 -9.336154344e-01 4.24 -9.005626076e-01 -9.005626076e-01 4.26 -8.680581382e-01 -8.680581382e-01 4.28 -8.361936187e-01 -8.361936187e-01 4.30 -8.050589914e-01 -8.050589914e-01 4.32 -7.747384398e-01 -7.747384398e-01 4.34 -7.453063696e-01 -7.453063696e-01 4.36 -7.168237756e-01 -7.168237756e-01 4.38 -6.893352792e-01 -6.893352792e-01 4.40 -6.628670775e-01 -6.628670775e-01 4.42 -6.374259608e-01 -6.374259608e-01 4.44 -6.129994473e-01 -6.129994473e-01 4.46 -5.895569593e-01 -5.895569593e-01 4.48 -5.670518686e-01 -5.670518686e-01 4.50 -5.454241634e-01 -5.454241634e-01 4.52 -5.246034703e-01 -5.246034703e-01 4.54 -5.045121834e-01 -5.045121834e-01 4.56 -4.850685048e-01 -4.850685048e-01 4.58 -4.661892627e-01 -4.661892627e-01 4.60 -4.477924443e-01 -4.477924443e-01 4.62 -4.297994300e-01 -4.297994300e-01 4.64 -4.121369516e-01 -4.121369516e-01 4.66 -3.947388166e-01 -3.947388166e-01 4.68 -3.775474341e-01 -3.775474341e-01 4.70 -3.605151662e-01 -3.605151662e-01 4.72 -3.436055027e-01 -3.436055027e-01 4.74 -3.267940297e-01 -3.267940297e-01 4.76 -3.100691386e-01 -3.100691386e-01 4.78 -2.934324036e-01 -2.934324036e-01 4.80 -2.768985424e-01 -2.768985424e-01 4.82 -2.604949696e-01 -2.604949696e-01 4.84 -2.442607172e-01 -2.442607172e-01 4.86 -2.282449802e-01 -2.282449802e-01 4.88 -2.125051327e-01 -2.125051327e-01 4.90 -1.971043825e-01 -1.971043825e-01 4.92 -1.821091684e-01 -1.821091684e-01 4.94 -1.675864394e-01 -1.675864394e-01 4.96 -1.536009619e-01 -1.536009619e-01 4.98 -1.402127921e-01 -1.402127921e-01 5.00 -1.274750374e-01 -1.274750374e-01 5.02 -1.154320083e-01 -1.154320083e-01 5.04 -1.041178370e-01 -1.041178370e-01 5.06 -9.355560983e-02 -9.355560983e-02 5.08 -8.375702958e-02 -8.375702958e-02 5.10 -7.472260904e-02 -7.472260904e-02 5.12 -6.644231098e-02 -6.644231098e-02 5.14 -5.889658984e-02 -5.889658984e-02 5.16 -5.205771427e-02 -5.205771427e-02 5.18 -4.589130292e-02 -4.589130292e-02 5.20 -4.035793338e-02 -4.035793338e-02 5.22 -3.541471601e-02 -3.541471601e-02 5.24 -3.101649505e-02 -3.101649505e-02 5.26 -2.711748553e-02 -2.711748553e-02 5.28 -2.367291412e-02 -2.367291412e-02 5.30 -2.063915547e-02 -2.063915547e-02 5.32 -1.797446649e-02 -1.797446649e-02 5.34 -1.563952046e-02 -1.563952046e-02 5.36 -1.359775472e-02 -1.359775472e-02 5.38 -1.181590456e-02 -1.181590456e-02 5.40 -1.026328005e-02 -1.026328005e-02 5.42 -8.911947511e-03 -8.911947511e-03 5.44 -7.736957404e-03 -7.736957404e-03 5.46 -6.716127840e-03 -6.716127840e-03 5.48 -5.829819058e-03 -5.829819058e-03 5.50 -5.060706207e-03 -5.060706207e-03 5.52 -4.393556362e-03 -4.393556362e-03 5.54 -3.815014315e-03 -3.815014315e-03 5.56 -3.313400352e-03 -3.313400352e-03 5.58 -2.878522093e-03 -2.878522093e-03 5.60 -2.501501540e-03 -2.501501540e-03 5.62 -2.174617722e-03 -2.174617722e-03 5.64 -1.891164760e-03 -1.891164760e-03 5.66 -1.645324780e-03 -1.645324780e-03 5.68 -1.432054830e-03 -1.432054830e-03 5.70 -1.246986783e-03 -1.246986783e-03 5.72 -1.086339141e-03 -1.086339141e-03 5.74 -9.468396093e-04 -9.468396093e-04 5.76 -8.256573604e-04 -8.256573604e-04 5.78 -7.203439221e-04 -7.203439221e-04 5.80 -6.287817202e-04 -6.287817202e-04 5.82 -5.491393658e-04 -5.491393658e-04 5.84 -4.798328680e-04 -4.798328680e-04 5.86 -4.194920299e-04 -4.194920299e-04 5.88 -3.669313668e-04 -3.669313668e-04 5.90 -3.211249607e-04 -3.211249607e-04 5.92 -2.811847322e-04 -2.811847322e-04 5.94 -2.463416765e-04 -2.463416765e-04 5.96 -2.159296638e-04 -2.159296638e-04 5.98 -1.893714589e-04 -1.893714589e-04 6.00 -1.661666574e-04 -1.661666574e-04