# 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 = MgPb2Ti # 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 4.088457699e+02 4.088457699e+02 1.30 3.813493462e+02 3.813493462e+02 1.32 3.558033237e+02 3.558033237e+02 1.34 3.320549752e+02 3.320549752e+02 1.36 3.099632325e+02 3.099632325e+02 1.38 2.893982744e+02 2.893982744e+02 1.40 2.702419701e+02 2.702419701e+02 1.42 2.523879050e+02 2.523879050e+02 1.44 2.357401277e+02 2.357401277e+02 1.46 2.202110261e+02 2.202110261e+02 1.48 2.057195263e+02 2.057195263e+02 1.50 1.921903189e+02 1.921903189e+02 1.52 1.795537761e+02 1.795537761e+02 1.54 1.677459624e+02 1.677459624e+02 1.56 1.567082808e+02 1.567082808e+02 1.58 1.463868401e+02 1.463868401e+02 1.60 1.367317898e+02 1.367317898e+02 1.62 1.276969448e+02 1.276969448e+02 1.64 1.192396075e+02 1.192396075e+02 1.66 1.113204644e+02 1.113204644e+02 1.68 1.039034032e+02 1.039034032e+02 1.70 9.695522440e+01 9.695522440e+01 1.72 9.044531868e+01 9.044531868e+01 1.74 8.434564190e+01 8.434564190e+01 1.76 7.863927997e+01 7.863927997e+01 1.78 7.330404471e+01 7.330404471e+01 1.80 6.831461596e+01 6.831461596e+01 1.82 6.364737671e+01 6.364737671e+01 1.84 5.928048988e+01 5.928048988e+01 1.86 5.519388197e+01 5.519388197e+01 1.88 5.136912691e+01 5.136912691e+01 1.90 4.778925671e+01 4.778925671e+01 1.92 4.443855118e+01 4.443855118e+01 1.94 4.130237966e+01 4.130237966e+01 1.96 3.836704722e+01 3.836704722e+01 1.98 3.561967711e+01 3.561967711e+01 2.00 3.304812341e+01 3.304812341e+01 2.02 3.064093005e+01 3.064093005e+01 2.04 2.838732800e+01 2.838732800e+01 2.06 2.627725727e+01 2.627725727e+01 2.08 2.430139727e+01 2.430139727e+01 2.10 2.245117160e+01 2.245117160e+01 2.12 2.071872548e+01 2.071872548e+01 2.14 1.909685049e+01 1.909685049e+01 2.16 1.757888712e+01 1.757888712e+01 2.18 1.615862506e+01 1.615862506e+01 2.20 1.483021651e+01 1.483021651e+01 2.22 1.358811851e+01 1.358811851e+01 2.24 1.242706233e+01 1.242706233e+01 2.26 1.134204861e+01 1.134204861e+01 2.28 1.032835959e+01 1.032835959e+01 2.30 9.381567822e+00 9.381567822e+00 2.32 8.497525952e+00 8.497525952e+00 2.34 7.672351374e+00 7.672351374e+00 2.36 6.902384270e+00 6.902384270e+00 2.38 6.184158249e+00 6.184158249e+00 2.40 5.514380954e+00 5.514380954e+00 2.42 4.889928472e+00 4.889928472e+00 2.44 4.307849636e+00 4.307849636e+00 2.46 3.765375358e+00 3.765375358e+00 2.48 3.259926376e+00 3.259926376e+00 2.50 2.789115097e+00 2.789115097e+00 2.52 2.350739734e+00 2.350739734e+00 2.54 1.942771989e+00 1.942771989e+00 2.56 1.563341036e+00 1.563341036e+00 2.58 1.210716354e+00 1.210716354e+00 2.60 8.832849392e-01 8.832849392e-01 2.62 5.795024260e-01 5.795024260e-01 2.64 2.979917748e-01 2.979917748e-01 2.66 3.746918322e-02 3.746918322e-02 2.68 -2.032909492e-01 -2.032909492e-01 2.70 -4.254598952e-01 -4.254598952e-01 2.72 -6.301576727e-01 -6.301576727e-01 2.74 -8.184542404e-01 -8.184542404e-01 2.76 -9.913694417e-01 -9.913694417e-01 2.78 -1.149863632e+00 -1.149863632e+00 2.80 -1.294783761e+00 -1.294783761e+00 2.82 -1.426909705e+00 -1.426909705e+00 2.84 -1.546991203e+00 -1.546991203e+00 2.86 -1.655746404e+00 -1.655746404e+00 2.88 -1.753861337e+00 -1.753861337e+00 2.90 -1.841989685e+00 -1.841989685e+00 2.92 -1.920752693e+00 -1.920752693e+00 2.94 -1.990739491e+00 -1.990739491e+00 2.96 -2.052508291e+00 -2.052508291e+00 2.98 -2.106588802e+00 -2.106588802e+00 3.00 -2.153485688e+00 -2.153485688e+00 3.02 -2.193682267e+00 -2.193682267e+00 3.04 -2.227642716e+00 -2.227642716e+00 3.06 -2.255816422e+00 -2.255816422e+00 3.08 -2.278633156e+00 -2.278633156e+00 3.10 -2.296505436e+00 -2.296505436e+00 3.12 -2.309825528e+00 -2.309825528e+00 3.14 -2.318970089e+00 -2.318970089e+00 3.16 -2.324292315e+00 -2.324292315e+00 3.18 -2.326127604e+00 -2.326127604e+00 3.20 -2.324791375e+00 -2.324791375e+00 3.22 -2.320577594e+00 -2.320577594e+00 3.24 -2.313756869e+00 -2.313756869e+00 3.26 -2.304587221e+00 -2.304587221e+00 3.28 -2.293344720e+00 -2.293344720e+00 3.30 -2.280177078e+00 -2.280177078e+00 3.32 -2.265204391e+00 -2.265204391e+00 3.34 -2.248538433e+00 -2.248538433e+00 3.36 -2.230283718e+00 -2.230283718e+00 3.38 -2.210539008e+00 -2.210539008e+00 3.40 -2.189398719e+00 -2.189398719e+00 3.42 -2.166955866e+00 -2.166955866e+00 3.44 -2.143313121e+00 -2.143313121e+00 3.46 -2.118548002e+00 -2.118548002e+00 3.48 -2.092723724e+00 -2.092723724e+00 3.50 -2.065912902e+00 -2.065912902e+00 3.52 -2.038196615e+00 -2.038196615e+00 3.54 -2.009662853e+00 -2.009662853e+00 3.56 -1.980404225e+00 -1.980404225e+00 3.58 -1.950515096e+00 -1.950515096e+00 3.60 -1.920088569e+00 -1.920088569e+00 3.62 -1.889212222e+00 -1.889212222e+00 3.64 -1.857953748e+00 -1.857953748e+00 3.66 -1.826369103e+00 -1.826369103e+00 3.68 -1.794512540e+00 -1.794512540e+00 3.70 -1.762437152e+00 -1.762437152e+00 3.72 -1.730195643e+00 -1.730195643e+00 3.74 -1.697840899e+00 -1.697840899e+00 3.76 -1.665426093e+00 -1.665426093e+00 3.78 -1.633004259e+00 -1.633004259e+00 3.80 -1.600627451e+00 -1.600627451e+00 3.82 -1.568345731e+00 -1.568345731e+00 3.84 -1.536206198e+00 -1.536206198e+00 3.86 -1.504252244e+00 -1.504252244e+00 3.88 -1.472523099e+00 -1.472523099e+00 3.90 -1.441053686e+00 -1.441053686e+00 3.92 -1.409873922e+00 -1.409873922e+00 3.94 -1.379012251e+00 -1.379012251e+00 3.96 -1.348490823e+00 -1.348490823e+00 3.98 -1.318329492e+00 -1.318329492e+00 4.00 -1.288545234e+00 -1.288545234e+00 4.02 -1.259152485e+00 -1.259152485e+00 4.04 -1.230163447e+00 -1.230163447e+00 4.06 -1.201588333e+00 -1.201588333e+00 4.08 -1.173435572e+00 -1.173435572e+00 4.10 -1.145709662e+00 -1.145709662e+00 4.12 -1.118420938e+00 -1.118420938e+00 4.14 -1.091570517e+00 -1.091570517e+00 4.16 -1.065161028e+00 -1.065161028e+00 4.18 -1.039193891e+00 -1.039193891e+00 4.20 -1.013669419e+00 -1.013669419e+00 4.22 -9.885869318e-01 -9.885869318e-01 4.24 -9.639448877e-01 -9.639448877e-01 4.26 -9.397410293e-01 -9.397410293e-01 4.28 -9.159725426e-01 -9.159725426e-01 4.30 -8.926362231e-01 -8.926362231e-01 4.32 -8.697286398e-01 -8.697286398e-01 4.34 -8.472462888e-01 -8.472462888e-01 4.36 -8.251857259e-01 -8.251857259e-01 4.38 -8.035436699e-01 -8.035436699e-01 4.40 -7.823170689e-01 -7.823170689e-01 4.42 -7.615031276e-01 -7.615031276e-01 4.44 -7.410992930e-01 -7.410992930e-01 4.46 -7.211032045e-01 -7.211032045e-01 4.48 -7.015126120e-01 -7.015126120e-01 4.50 -6.823252725e-01 -6.823252725e-01 4.52 -6.635388336e-01 -6.635388336e-01 4.54 -6.451507136e-01 -6.451507136e-01 4.56 -6.271579877e-01 -6.271579877e-01 4.58 -6.095572871e-01 -6.095572871e-01 4.60 -5.923447168e-01 -5.923447168e-01 4.62 -5.755157957e-01 -5.755157957e-01 4.64 -5.590654215e-01 -5.590654215e-01 4.66 -5.429878603e-01 -5.429878603e-01 4.68 -5.272767610e-01 -5.272767610e-01 4.70 -5.119251938e-01 -5.119251938e-01 4.72 -4.969257108e-01 -4.969257108e-01 4.74 -4.822704278e-01 -4.822704278e-01 4.76 -4.679511266e-01 -4.679511266e-01 4.78 -4.539593760e-01 -4.539593760e-01 4.80 -4.402850145e-01 -4.402850145e-01 4.82 -4.269231950e-01 -4.269231950e-01 4.84 -4.138637800e-01 -4.138637800e-01 4.86 -4.010990278e-01 -4.010990278e-01 4.88 -3.886217976e-01 -3.886217976e-01 4.90 -3.764257146e-01 -3.764257146e-01 4.92 -3.645053105e-01 -3.645053105e-01 4.94 -3.528561230e-01 -3.528561230e-01 4.96 -3.414747374e-01 -3.414747374e-01 4.98 -3.303587592e-01 -3.303587592e-01 5.00 -3.195067088e-01 -3.195067088e-01 5.02 -3.089178435e-01 -3.089178435e-01 5.04 -2.985919196e-01 -2.985919196e-01 5.06 -2.885289197e-01 -2.885289197e-01 5.08 -2.787287781e-01 -2.787287781e-01 5.10 -2.691911358e-01 -2.691911358e-01 5.12 -2.599151552e-01 -2.599151552e-01 5.14 -2.508994117e-01 -2.508994117e-01 5.16 -2.421418640e-01 -2.421418640e-01 5.18 -2.336398952e-01 -2.336398952e-01 5.20 -2.253903998e-01 -2.253903998e-01 5.22 -2.173898912e-01 -2.173898912e-01 5.24 -2.096346001e-01 -2.096346001e-01 5.26 -2.021205436e-01 -2.021205436e-01 5.28 -1.948435505e-01 -1.948435505e-01 5.30 -1.877992394e-01 -1.877992394e-01 5.32 -1.809829575e-01 -1.809829575e-01 5.34 -1.743896922e-01 -1.743896922e-01 5.36 -1.680139727e-01 -1.680139727e-01 5.38 -1.618497803e-01 -1.618497803e-01 5.40 -1.558904819e-01 -1.558904819e-01 5.42 -1.501287978e-01 -1.501287978e-01 5.44 -1.445568105e-01 -1.445568105e-01 5.46 -1.391660143e-01 -1.391660143e-01 5.48 -1.339474037e-01 -1.339474037e-01 5.50 -1.288915959e-01 -1.288915959e-01 5.52 -1.239889790e-01 -1.239889790e-01 5.54 -1.192298822e-01 -1.192298822e-01 5.56 -1.146047552e-01 -1.146047552e-01 5.58 -1.101043588e-01 -1.101043588e-01 5.60 -1.057199549e-01 -1.057199549e-01 5.62 -1.014434904e-01 -1.014434904e-01 5.64 -9.726776660e-02 -9.726776660e-02 5.66 -9.318658712e-02 -9.318658712e-02 5.68 -8.919487479e-02 -8.919487479e-02 5.70 -8.528874880e-02 -8.528874880e-02 5.72 -8.146555121e-02 -8.146555121e-02 5.74 -7.772382102e-02 -7.772382102e-02 5.76 -7.406321184e-02 -7.406321184e-02 5.78 -7.048435548e-02 -7.048435548e-02 5.80 -6.698867963e-02 -6.698867963e-02 5.82 -6.357819261e-02 -6.357819261e-02 5.84 -6.025525272e-02 -6.025525272e-02 5.86 -5.702234186e-02 -5.702234186e-02 5.88 -5.388183690e-02 -5.388183690e-02 5.90 -5.083542177e-02 -5.083542177e-02 5.92 -4.788493300e-02 -4.788493300e-02 5.94 -4.503199248e-02 -4.503199248e-02 5.96 -4.227775226e-02 -4.227775226e-02 5.98 -3.962293714e-02 -3.962293714e-02 6.00 -3.706792346e-02 -3.706792346e-02