# 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 = AgAuW2 # 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 4.318071458e+02 4.318071458e+02 1.30 3.997687961e+02 3.997687961e+02 1.32 3.701502161e+02 3.701502161e+02 1.34 3.427465977e+02 3.427465977e+02 1.36 3.173749437e+02 3.173749437e+02 1.38 2.938724710e+02 2.938724710e+02 1.40 2.720941901e+02 2.720941901e+02 1.42 2.519092893e+02 2.519092893e+02 1.44 2.331975118e+02 2.331975118e+02 1.46 2.158467862e+02 2.158467862e+02 1.48 1.997524563e+02 1.997524563e+02 1.50 1.848176211e+02 1.848176211e+02 1.52 1.709536938e+02 1.709536938e+02 1.54 1.580804169e+02 1.580804169e+02 1.56 1.461251412e+02 1.461251412e+02 1.58 1.350216529e+02 1.350216529e+02 1.60 1.247089135e+02 1.247089135e+02 1.62 1.151299479e+02 1.151299479e+02 1.64 1.062310051e+02 1.062310051e+02 1.66 9.796109113e+01 9.796109113e+01 1.68 9.027193692e+01 9.027193692e+01 1.70 8.311835455e+01 8.311835455e+01 1.72 7.645879221e+01 7.645879221e+01 1.74 7.025583354e+01 7.025583354e+01 1.76 6.447644445e+01 6.447644445e+01 1.78 5.909186147e+01 5.909186147e+01 1.80 5.407709685e+01 5.407709685e+01 1.82 4.941013459e+01 4.941013459e+01 1.84 4.507124605e+01 4.507124605e+01 1.86 4.104275541e+01 4.104275541e+01 1.88 3.730651541e+01 3.730651541e+01 1.90 3.385090877e+01 3.385090877e+01 1.92 3.066561270e+01 3.066561270e+01 1.94 2.773163254e+01 2.773163254e+01 1.96 2.502992914e+01 2.502992914e+01 1.98 2.254240234e+01 2.254240234e+01 2.00 2.025198131e+01 2.025198131e+01 2.02 1.814268138e+01 1.814268138e+01 2.04 1.619961627e+01 1.619961627e+01 2.06 1.440895541e+01 1.440895541e+01 2.08 1.275784250e+01 1.275784250e+01 2.10 1.123431711e+01 1.123431711e+01 2.12 9.827280255e+00 9.827280255e+00 2.14 8.526516500e+00 8.526516500e+00 2.16 7.322751372e+00 7.322751372e+00 2.18 6.207704155e+00 6.207704155e+00 2.20 5.174099159e+00 5.174099159e+00 2.22 4.215617637e+00 4.215617637e+00 2.24 3.326795038e+00 3.326795038e+00 2.26 2.502883970e+00 2.502883970e+00 2.28 1.739707959e+00 1.739707959e+00 2.30 1.033526990e+00 1.033526990e+00 2.32 3.809272461e-01 3.809272461e-01 2.34 -2.212608754e-01 -2.212608754e-01 2.36 -7.760184166e-01 -7.760184166e-01 2.38 -1.286172012e+00 -1.286172012e+00 2.40 -1.754412199e+00 -1.754412199e+00 2.42 -2.183301144e+00 -2.183301144e+00 2.44 -2.575272959e+00 -2.575272959e+00 2.46 -2.932481635e+00 -2.932481635e+00 2.48 -3.257147920e+00 -3.257147920e+00 2.50 -3.551507812e+00 -3.551507812e+00 2.52 -3.817645892e+00 -3.817645892e+00 2.54 -4.057507322e+00 -4.057507322e+00 2.56 -4.272909580e+00 -4.272909580e+00 2.58 -4.465551833e+00 -4.465551833e+00 2.60 -4.636996679e+00 -4.636996679e+00 2.62 -4.788265698e+00 -4.788265698e+00 2.64 -4.919975941e+00 -4.919975941e+00 2.66 -5.032767148e+00 -5.032767148e+00 2.68 -5.127295948e+00 -5.127295948e+00 2.70 -5.204221429e+00 -5.204221429e+00 2.72 -5.264198919e+00 -5.264198919e+00 2.74 -5.307880313e+00 -5.307880313e+00 2.76 -5.335918154e+00 -5.335918154e+00 2.78 -5.348971089e+00 -5.348971089e+00 2.80 -5.347709605e+00 -5.347709605e+00 2.82 -5.332822263e+00 -5.332822263e+00 2.84 -5.305023329e+00 -5.305023329e+00 2.86 -5.265062506e+00 -5.265062506e+00 2.88 -5.213736678e+00 -5.213736678e+00 2.90 -5.151902447e+00 -5.151902447e+00 2.92 -5.080487091e+00 -5.080487091e+00 2.94 -5.000495011e+00 -5.000495011e+00 2.96 -4.913071000e+00 -4.913071000e+00 2.98 -4.819347174e+00 -4.819347174e+00 3.00 -4.720426389e+00 -4.720426389e+00 3.02 -4.617432601e+00 -4.617432601e+00 3.04 -4.511466899e+00 -4.511466899e+00 3.06 -4.403561129e+00 -4.403561129e+00 3.08 -4.294634656e+00 -4.294634656e+00 3.10 -4.185459346e+00 -4.185459346e+00 3.12 -4.076646248e+00 -4.076646248e+00 3.14 -3.968724940e+00 -3.968724940e+00 3.16 -3.861827894e+00 -3.861827894e+00 3.18 -3.755896673e+00 -3.755896673e+00 3.20 -3.650765952e+00 -3.650765952e+00 3.22 -3.546190784e+00 -3.546190784e+00 3.24 -3.441876106e+00 -3.441876106e+00 3.26 -3.337510367e+00 -3.337510367e+00 3.28 -3.232809024e+00 -3.232809024e+00 3.30 -3.127525780e+00 -3.127525780e+00 3.32 -3.021470042e+00 -3.021470042e+00 3.34 -2.914527855e+00 -2.914527855e+00 3.36 -2.806679177e+00 -2.806679177e+00 3.38 -2.698010567e+00 -2.698010567e+00 3.40 -2.588722136e+00 -2.588722136e+00 3.42 -2.479127537e+00 -2.479127537e+00 3.44 -2.369646120e+00 -2.369646120e+00 3.46 -2.260786955e+00 -2.260786955e+00 3.48 -2.153125376e+00 -2.153125376e+00 3.50 -2.047273697e+00 -2.047273697e+00 3.52 -1.943848632e+00 -1.943848632e+00 3.54 -1.843438545e+00 -1.843438545e+00 3.56 -1.746573679e+00 -1.746573679e+00 3.58 -1.653702102e+00 -1.653702102e+00 3.60 -1.565173178e+00 -1.565173178e+00 3.62 -1.481229344e+00 -1.481229344e+00 3.64 -1.402005855e+00 -1.402005855e+00 3.66 -1.327537321e+00 -1.327537321e+00 3.68 -1.257769303e+00 -1.257769303e+00 3.70 -1.192573065e+00 -1.192573065e+00 3.72 -1.131761671e+00 -1.131761671e+00 3.74 -1.075105925e+00 -1.075105925e+00 3.76 -1.022349045e+00 -1.022349045e+00 3.78 -9.732193969e-01 -9.732193969e-01 3.80 -9.274409525e-01 -9.274409525e-01 3.82 -8.847414346e-01 -8.847414346e-01 3.84 -8.448583000e-01 -8.448583000e-01 3.86 -8.075428328e-01 -8.075428328e-01 3.88 -7.725626671e-01 -7.725626671e-01 3.90 -7.397030691e-01 -7.397030691e-01 3.92 -7.087672822e-01 -7.087672822e-01 3.94 -6.795762073e-01 -6.795762073e-01 3.96 -6.519676285e-01 -6.519676285e-01 3.98 -6.257951764e-01 -6.257951764e-01 4.00 -6.009271567e-01 -6.009271567e-01 4.02 -5.772453487e-01 -5.772453487e-01 4.04 -5.546438502e-01 -5.546438502e-01 4.06 -5.330280186e-01 -5.330280186e-01 4.08 -5.123135413e-01 -5.123135413e-01 4.10 -4.924256511e-01 -4.924256511e-01 4.12 -4.732985038e-01 -4.732985038e-01 4.14 -4.548746677e-01 -4.548746677e-01 4.16 -4.371047543e-01 -4.371047543e-01 4.18 -4.199471078e-01 -4.199471078e-01 4.20 -4.033675177e-01 -4.033675177e-01 4.22 -3.873388877e-01 -3.873388877e-01 4.24 -3.718407926e-01 -3.718407926e-01 4.26 -3.568588605e-01 -3.568588605e-01 4.28 -3.423839360e-01 -3.423839360e-01 4.30 -3.284110079e-01 -3.284110079e-01 4.32 -3.149379280e-01 -3.149379280e-01 4.34 -3.019639865e-01 -3.019639865e-01 4.36 -2.894884500e-01 -2.894884500e-01 4.38 -2.775091874e-01 -2.775091874e-01 4.40 -2.660215046e-01 -2.660215046e-01 4.42 -2.550172929e-01 -2.550172929e-01 4.44 -2.444845486e-01 -2.444845486e-01 4.46 -2.344072677e-01 -2.344072677e-01 4.48 -2.247654194e-01 -2.247654194e-01 4.50 -2.155357436e-01 -2.155357436e-01 4.52 -2.066929622e-01 -2.066929622e-01 4.54 -1.982098009e-01 -1.982098009e-01 4.56 -1.900577591e-01 -1.900577591e-01 4.58 -1.822078589e-01 -1.822078589e-01 4.60 -1.746312920e-01 -1.746312920e-01 4.62 -1.672999544e-01 -1.672999544e-01 4.64 -1.601868804e-01 -1.601868804e-01 4.66 -1.532665907e-01 -1.532665907e-01 4.68 -1.465153824e-01 -1.465153824e-01 4.70 -1.399115831e-01 -1.399115831e-01 4.72 -1.334357922e-01 -1.334357922e-01 4.74 -1.270711246e-01 -1.270711246e-01 4.76 -1.208034671e-01 -1.208034671e-01 4.78 -1.146217468e-01 -1.146217468e-01 4.80 -1.085182030e-01 -1.085182030e-01 4.82 -1.024886505e-01 -1.024886505e-01 4.84 -9.653269096e-02 -9.653269096e-02 4.86 -9.065386055e-02 -9.065386055e-02 4.88 -8.485965923e-02 -8.485965923e-02 4.90 -7.916142991e-02 -7.916142991e-02 4.92 -7.357405499e-02 -7.357405499e-02 4.94 -6.811545097e-02 -6.811545097e-02 4.96 -6.280585999e-02 -6.280585999e-02 4.98 -5.766696049e-02 -5.766696049e-02 5.00 -5.272084264e-02 -5.272084264e-02 5.02 -4.798891572e-02 -4.798891572e-02 5.04 -4.349082856e-02 -4.349082856e-02 5.06 -3.924348828e-02 -3.924348828e-02 5.08 -3.526025503e-02 -3.526025503e-02 5.10 -3.155037204e-02 -3.155037204e-02 5.12 -2.811866220e-02 -2.811866220e-02 5.14 -2.496549926e-02 -2.496549926e-02 5.16 -2.208702776e-02 -2.208702776e-02 5.18 -1.947558746e-02 -1.947558746e-02 5.20 -1.712020661e-02 -1.712020661e-02 5.22 -1.500708902e-02 -1.500708902e-02 5.24 -1.312109891e-02 -1.312109891e-02 5.26 -1.144583934e-02 -1.144583934e-02 5.28 -9.964196742e-03 -9.964196742e-03 5.30 -8.658895762e-03 -8.658895762e-03 5.32 -7.512950741e-03 -7.512950741e-03 5.34 -6.510013561e-03 -6.510013561e-03 5.36 -5.634624777e-03 -5.634624777e-03 5.38 -4.872379520e-03 -4.872379520e-03 5.40 -4.210021810e-03 -4.210021810e-03 5.42 -3.635481427e-03 -3.635481427e-03 5.44 -3.137866664e-03 -3.137866664e-03 5.46 -2.707424892e-03 -2.707424892e-03 5.48 -2.335480998e-03 -2.335480998e-03 5.50 -2.014361941e-03 -2.014361941e-03 5.52 -1.737313845e-03 -1.737313845e-03 5.54 -1.498416505e-03 -1.498416505e-03 5.56 -1.292498823e-03 -1.292498823e-03 5.58 -1.115057620e-03 -1.115057620e-03 5.60 -9.621813689e-04 -9.621813689e-04 5.62 -8.304797884e-04 -8.304797884e-04 5.64 -7.170196979e-04 -7.170196979e-04 5.66 -6.192672138e-04 -6.192672138e-04 5.68 -5.350361169e-04 -5.350361169e-04 5.70 -4.624420641e-04 -4.624420641e-04 5.72 -3.998622270e-04 -3.998622270e-04 5.74 -3.458998911e-04 -3.458998911e-04 5.76 -2.993535345e-04 -2.993535345e-04 5.78 -2.591899136e-04 -2.591899136e-04 5.80 -2.245207046e-04 -2.245207046e-04 5.82 -1.945822798e-04 -1.945822798e-04 5.84 -1.687182337e-04 -1.687182337e-04 5.86 -1.463643095e-04 -1.463643095e-04 5.88 -1.270354149e-04 -1.270354149e-04 5.90 -1.103144492e-04 -1.103144492e-04 5.92 -9.584269883e-05 -9.584269883e-05 5.94 -8.331158581e-05 -8.331158581e-05 5.96 -7.245558289e-05 -7.245558289e-05 5.98 -6.304613323e-05 -6.304613323e-05 6.00 -5.488643328e-05 -5.488643328e-05