# 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 = CuFePb2 # 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 2.881434484e+02 2.881434484e+02 1.30 2.677407578e+02 2.677407578e+02 1.32 2.488231851e+02 2.488231851e+02 1.34 2.312767566e+02 2.312767566e+02 1.36 2.149945777e+02 2.149945777e+02 1.38 1.998758194e+02 1.998758194e+02 1.40 1.858267549e+02 1.858267549e+02 1.42 1.727622754e+02 1.727622754e+02 1.44 1.606063247e+02 1.606063247e+02 1.46 1.492910412e+02 1.492910412e+02 1.48 1.387552969e+02 1.387552969e+02 1.50 1.289432337e+02 1.289432337e+02 1.52 1.198030084e+02 1.198030084e+02 1.54 1.112859407e+02 1.112859407e+02 1.56 1.033460662e+02 1.033460662e+02 1.58 9.594016243e+01 9.594016243e+01 1.60 8.902804204e+01 8.902804204e+01 1.62 8.257295865e+01 8.257295865e+01 1.64 7.654183118e+01 7.654183118e+01 1.66 7.090576651e+01 7.090576651e+01 1.68 6.565121892e+01 6.565121892e+01 1.70 6.075895409e+01 6.075895409e+01 1.72 5.620652912e+01 5.620652912e+01 1.74 5.197297775e+01 5.197297775e+01 1.76 4.803819085e+01 4.803819085e+01 1.78 4.438252699e+01 4.438252699e+01 1.80 4.098668260e+01 4.098668260e+01 1.82 3.783185063e+01 3.783185063e+01 1.84 3.490004077e+01 3.490004077e+01 1.86 3.217440336e+01 3.217440336e+01 1.88 2.963942298e+01 2.963942298e+01 1.90 2.728092946e+01 2.728092946e+01 1.92 2.508597492e+01 2.508597492e+01 1.94 2.304270216e+01 2.304270216e+01 1.96 2.114019820e+01 2.114019820e+01 1.98 1.936838753e+01 1.936838753e+01 2.00 1.771794398e+01 1.771794398e+01 2.02 1.618022923e+01 1.618022923e+01 2.04 1.474725763e+01 1.474725763e+01 2.06 1.341168487e+01 1.341168487e+01 2.08 1.216680597e+01 1.216680597e+01 2.10 1.100652901e+01 1.100652901e+01 2.12 9.925331172e+00 9.925331172e+00 2.14 8.918176603e+00 8.918176603e+00 2.16 7.980428251e+00 7.980428251e+00 2.18 7.107767437e+00 7.107767437e+00 2.20 6.296131230e+00 6.296131230e+00 2.22 5.541679684e+00 5.541679684e+00 2.24 4.840784619e+00 4.840784619e+00 2.26 4.190031292e+00 4.190031292e+00 2.28 3.586220789e+00 3.586220789e+00 2.30 3.026359863e+00 3.026359863e+00 2.32 2.507633637e+00 2.507633637e+00 2.34 2.027387647e+00 2.027387647e+00 2.36 1.583094918e+00 1.583094918e+00 2.38 1.172344192e+00 1.172344192e+00 2.40 7.928388926e-01 7.928388926e-01 2.42 4.424062269e-01 4.424062269e-01 2.44 1.190105450e-01 1.190105450e-01 2.46 -1.792344151e-01 -1.792344151e-01 2.48 -4.540595767e-01 -4.540595767e-01 2.50 -7.070432001e-01 -7.070432001e-01 2.52 -9.396219900e-01 -9.396219900e-01 2.54 -1.153108000e+00 -1.153108000e+00 2.56 -1.348707716e+00 -1.348707716e+00 2.58 -1.527540299e+00 -1.527540299e+00 2.60 -1.690653376e+00 -1.690653376e+00 2.62 -1.839034938e+00 -1.839034938e+00 2.64 -1.973643516e+00 -1.973643516e+00 2.66 -2.095597608e+00 -2.095597608e+00 2.68 -2.205629516e+00 -2.205629516e+00 2.70 -2.304339024e+00 -2.304339024e+00 2.72 -2.392324106e+00 -2.392324106e+00 2.74 -2.470180558e+00 -2.470180558e+00 2.76 -2.538496424e+00 -2.538496424e+00 2.78 -2.597845887e+00 -2.597845887e+00 2.80 -2.648790312e+00 -2.648790312e+00 2.82 -2.691897154e+00 -2.691897154e+00 2.84 -2.727722003e+00 -2.727722003e+00 2.86 -2.756793788e+00 -2.756793788e+00 2.88 -2.779580919e+00 -2.779580919e+00 2.90 -2.796473813e+00 -2.796473813e+00 2.92 -2.807850298e+00 -2.807850298e+00 2.94 -2.814078764e+00 -2.814078764e+00 2.96 -2.815513996e+00 -2.815513996e+00 2.98 -2.812493882e+00 -2.812493882e+00 3.00 -2.805337375e+00 -2.805337375e+00 3.02 -2.794343807e+00 -2.794343807e+00 3.04 -2.779794678e+00 -2.779794678e+00 3.06 -2.762032545e+00 -2.762032545e+00 3.08 -2.741263093e+00 -2.741263093e+00 3.10 -2.717628176e+00 -2.717628176e+00 3.12 -2.691278230e+00 -2.691278230e+00 3.14 -2.662377374e+00 -2.662377374e+00 3.16 -2.631095194e+00 -2.631095194e+00 3.18 -2.597611859e+00 -2.597611859e+00 3.20 -2.562104491e+00 -2.562104491e+00 3.22 -2.524726464e+00 -2.524726464e+00 3.24 -2.485637857e+00 -2.485637857e+00 3.26 -2.445008412e+00 -2.445008412e+00 3.28 -2.403014683e+00 -2.403014683e+00 3.30 -2.359837638e+00 -2.359837638e+00 3.32 -2.315660493e+00 -2.315660493e+00 3.34 -2.270666418e+00 -2.270666418e+00 3.36 -2.225035848e+00 -2.225035848e+00 3.38 -2.178943334e+00 -2.178943334e+00 3.40 -2.132553774e+00 -2.132553774e+00 3.42 -2.086020761e+00 -2.086020761e+00 3.44 -2.039481284e+00 -2.039481284e+00 3.46 -1.993055617e+00 -1.993055617e+00 3.48 -1.946845920e+00 -1.946845920e+00 3.50 -1.900936326e+00 -1.900936326e+00 3.52 -1.855393927e+00 -1.855393927e+00 3.54 -1.810270486e+00 -1.810270486e+00 3.56 -1.765604695e+00 -1.765604695e+00 3.58 -1.721424794e+00 -1.721424794e+00 3.60 -1.677751381e+00 -1.677751381e+00 3.62 -1.634600287e+00 -1.634600287e+00 3.64 -1.591985347e+00 -1.591985347e+00 3.66 -1.549920925e+00 -1.549920925e+00 3.68 -1.508424036e+00 -1.508424036e+00 3.70 -1.467515896e+00 -1.467515896e+00 3.72 -1.427222778e+00 -1.427222778e+00 3.74 -1.387576106e+00 -1.387576106e+00 3.76 -1.348611792e+00 -1.348611792e+00 3.78 -1.310368932e+00 -1.310368932e+00 3.80 -1.272888007e+00 -1.272888007e+00 3.82 -1.236208804e+00 -1.236208804e+00 3.84 -1.200368262e+00 -1.200368262e+00 3.86 -1.165398414e+00 -1.165398414e+00 3.88 -1.131324608e+00 -1.131324608e+00 3.90 -1.098164117e+00 -1.098164117e+00 3.92 -1.065924415e+00 -1.065924415e+00 3.94 -1.034606436e+00 -1.034606436e+00 3.96 -1.004199236e+00 -1.004199236e+00 3.98 -9.746847151e-01 -9.746847151e-01 4.00 -9.460377478e-01 -9.460377478e-01 4.02 -9.182275748e-01 -9.182275748e-01 4.04 -8.912192727e-01 -8.912192727e-01 4.06 -8.649751528e-01 -8.649751528e-01 4.08 -8.394560021e-01 -8.394560021e-01 4.10 -8.146199522e-01 -8.146199522e-01 4.12 -7.904323820e-01 -7.904323820e-01 4.14 -7.668523102e-01 -7.668523102e-01 4.16 -7.438429392e-01 -7.438429392e-01 4.18 -7.213694604e-01 -7.213694604e-01 4.20 -6.993994874e-01 -6.993994874e-01 4.22 -6.779035066e-01 -6.779035066e-01 4.24 -6.568553699e-01 -6.568553699e-01 4.26 -6.362328348e-01 -6.362328348e-01 4.28 -6.160181365e-01 -6.160181365e-01 4.30 -5.961985504e-01 -5.961985504e-01 4.32 -5.767668815e-01 -5.767668815e-01 4.34 -5.577218019e-01 -5.577218019e-01 4.36 -5.390679446e-01 -5.390679446e-01 4.38 -5.208156719e-01 -5.208156719e-01 4.40 -5.029804549e-01 -5.029804549e-01 4.42 -4.855818471e-01 -4.855818471e-01 4.44 -4.686420843e-01 -4.686420843e-01 4.46 -4.521844073e-01 -4.521844073e-01 4.48 -4.362312511e-01 -4.362312511e-01 4.50 -4.208024794e-01 -4.208024794e-01 4.52 -4.059138416e-01 -4.059138416e-01 4.54 -3.915758014e-01 -3.915758014e-01 4.56 -3.777928313e-01 -3.777928313e-01 4.58 -3.645632004e-01 -3.645632004e-01 4.60 -3.518792184e-01 -3.518792184e-01 4.62 -3.397278499e-01 -3.397278499e-01 4.64 -3.280915819e-01 -3.280915819e-01 4.66 -3.169494249e-01 -3.169494249e-01 4.68 -3.062779372e-01 -3.062779372e-01 4.70 -2.960521870e-01 -2.960521870e-01 4.72 -2.862465963e-01 -2.862465963e-01 4.74 -2.768356334e-01 -2.768356334e-01 4.76 -2.677943493e-01 -2.677943493e-01 4.78 -2.590987637e-01 -2.590987637e-01 4.80 -2.507245664e-01 -2.507245664e-01 4.82 -2.426537268e-01 -2.426537268e-01 4.84 -2.348644519e-01 -2.348644519e-01 4.86 -2.273382337e-01 -2.273382337e-01 4.88 -2.200579616e-01 -2.200579616e-01 4.90 -2.130078601e-01 -2.130078601e-01 4.92 -2.061734148e-01 -2.061734148e-01 4.94 -1.995413001e-01 -1.995413001e-01 4.96 -1.930993128e-01 -1.930993128e-01 4.98 -1.868363171e-01 -1.868363171e-01 5.00 -1.807422052e-01 -1.807422052e-01 5.02 -1.748078735e-01 -1.748078735e-01 5.04 -1.690252144e-01 -1.690252144e-01 5.06 -1.633871226e-01 -1.633871226e-01 5.08 -1.578875097e-01 -1.578875097e-01 5.10 -1.525213228e-01 -1.525213228e-01 5.12 -1.472845624e-01 -1.472845624e-01 5.14 -1.421742896e-01 -1.421742896e-01 5.16 -1.371886144e-01 -1.371886144e-01 5.18 -1.323266574e-01 -1.323266574e-01 5.20 -1.275884773e-01 -1.275884773e-01 5.22 -1.229749587e-01 -1.229749587e-01 5.24 -1.184876593e-01 -1.184876593e-01 5.26 -1.141285509e-01 -1.141285509e-01 5.28 -1.098993790e-01 -1.098993790e-01 5.30 -1.058025561e-01 -1.058025561e-01 5.32 -1.018404019e-01 -1.018404019e-01 5.34 -9.801471955e-02 -9.801471955e-02 5.36 -9.432658788e-02 -9.432658788e-02 5.38 -9.077619794e-02 -9.077619794e-02 5.40 -8.736274543e-02 -8.736274543e-02 5.42 -8.408438276e-02 -8.408438276e-02 5.44 -8.093822972e-02 -8.093822972e-02 5.46 -7.792043623e-02 -7.792043623e-02 5.48 -7.502628699e-02 -7.502628699e-02 5.50 -7.225033580e-02 -7.225033580e-02 5.52 -6.958655663e-02 -6.958655663e-02 5.54 -6.702849985e-02 -6.702849985e-02 5.56 -6.456944390e-02 -6.456944390e-02 5.58 -6.220253501e-02 -6.220253501e-02 5.60 -5.992091069e-02 -5.992091069e-02 5.62 -5.771780465e-02 -5.771780465e-02 5.64 -5.558663317e-02 -5.558663317e-02 5.66 -5.352106419e-02 -5.352106419e-02 5.68 -5.151507163e-02 -5.151507163e-02 5.70 -4.956297769e-02 -4.956297769e-02 5.72 -4.765948628e-02 -4.765948628e-02 5.74 -4.579971048e-02 -4.579971048e-02 5.76 -4.397919650e-02 -4.397919650e-02 5.78 -4.219394630e-02 -4.219394630e-02 5.80 -4.044044018e-02 -4.044044018e-02 5.82 -3.871566027e-02 -3.871566027e-02 5.84 -3.701711480e-02 -3.701711480e-02 5.86 -3.534286255e-02 -3.534286255e-02 5.88 -3.369153620e-02 -3.369153620e-02 5.90 -3.206236238e-02 -3.206236238e-02 5.92 -3.045517597e-02 -3.045517597e-02 5.94 -2.887042566e-02 -2.887042566e-02 5.96 -2.730916772e-02 -2.730916772e-02 5.98 -2.577304385e-02 -2.577304385e-02 6.00 -2.426424263e-02 -2.426424263e-02