# 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 = Mg2PbZr # 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 4.500549263e+02 4.500549263e+02 1.30 4.192239338e+02 4.192239338e+02 1.32 3.906029689e+02 3.906029689e+02 1.34 3.640186407e+02 3.640186407e+02 1.36 3.393135319e+02 3.393135319e+02 1.38 3.163438314e+02 3.163438314e+02 1.40 2.949774714e+02 2.949774714e+02 1.42 2.750928995e+02 2.750928995e+02 1.44 2.565779944e+02 2.565779944e+02 1.46 2.393294014e+02 2.393294014e+02 1.48 2.232523601e+02 2.232523601e+02 1.50 2.082605029e+02 2.082605029e+02 1.52 1.942751742e+02 1.942751742e+02 1.54 1.812244822e+02 1.812244822e+02 1.56 1.690422718e+02 1.690422718e+02 1.58 1.576674953e+02 1.576674953e+02 1.60 1.470438315e+02 1.470438315e+02 1.62 1.371194088e+02 1.371194088e+02 1.64 1.278464297e+02 1.278464297e+02 1.66 1.191807696e+02 1.191807696e+02 1.68 1.110815257e+02 1.110815257e+02 1.70 1.035105716e+02 1.035105716e+02 1.72 9.643221526e+01 9.643221526e+01 1.74 8.981313069e+01 8.981313069e+01 1.76 8.362259181e+01 8.362259181e+01 1.78 7.783156455e+01 7.783156455e+01 1.80 7.241622040e+01 7.241622040e+01 1.82 6.735536868e+01 6.735536868e+01 1.84 6.262507860e+01 6.262507860e+01 1.86 5.820336432e+01 5.820336432e+01 1.88 5.406973514e+01 5.406973514e+01 1.90 5.020511414e+01 5.020511414e+01 1.92 4.659176899e+01 4.659176899e+01 1.94 4.321328158e+01 4.321328158e+01 1.96 4.005440043e+01 4.005440043e+01 1.98 3.710093110e+01 3.710093110e+01 2.00 3.433964455e+01 3.433964455e+01 2.02 3.175819579e+01 3.175819579e+01 2.04 2.934504961e+01 2.934504961e+01 2.06 2.708940974e+01 2.708940974e+01 2.08 2.498116181e+01 2.498116181e+01 2.10 2.301081187e+01 2.301081187e+01 2.12 2.116947696e+01 2.116947696e+01 2.14 1.944886550e+01 1.944886550e+01 2.16 1.784127695e+01 1.784127695e+01 2.18 1.633957075e+01 1.633957075e+01 2.20 1.493711258e+01 1.493711258e+01 2.22 1.362769315e+01 1.362769315e+01 2.24 1.240546628e+01 1.240546628e+01 2.26 1.126491643e+01 1.126491643e+01 2.28 1.020085615e+01 1.020085615e+01 2.30 9.208432181e+00 9.208432181e+00 2.32 8.283103545e+00 8.283103545e+00 2.34 7.420655155e+00 7.420655155e+00 2.36 6.617145917e+00 6.617145917e+00 2.38 5.868887566e+00 5.868887566e+00 2.40 5.172421599e+00 5.172421599e+00 2.42 4.524496077e+00 4.524496077e+00 2.44 3.922052276e+00 3.922052276e+00 2.46 3.362201787e+00 3.362201787e+00 2.48 2.842192065e+00 2.842192065e+00 2.50 2.359374992e+00 2.359374992e+00 2.52 1.911356653e+00 1.911356653e+00 2.54 1.495879785e+00 1.495879785e+00 2.56 1.110823187e+00 1.110823187e+00 2.58 7.542140482e-01 7.542140482e-01 2.60 4.242299825e-01 4.242299825e-01 2.62 1.191923267e-01 1.191923267e-01 2.64 -1.624479612e-01 -1.624479612e-01 2.66 -4.220033043e-01 -4.220033043e-01 2.68 -6.606821400e-01 -6.606821400e-01 2.70 -8.796600553e-01 -8.796600553e-01 2.72 -1.080082126e+00 -1.080082126e+00 2.74 -1.263061328e+00 -1.263061328e+00 2.76 -1.429674161e+00 -1.429674161e+00 2.78 -1.580952485e+00 -1.580952485e+00 2.80 -1.717886522e+00 -1.717886522e+00 2.82 -1.841405697e+00 -1.841405697e+00 2.84 -1.952387152e+00 -1.952387152e+00 2.86 -2.051653696e+00 -2.051653696e+00 2.88 -2.139976763e+00 -2.139976763e+00 2.90 -2.218080537e+00 -2.218080537e+00 2.92 -2.286646390e+00 -2.286646390e+00 2.94 -2.346317010e+00 -2.346317010e+00 2.96 -2.397699955e+00 -2.397699955e+00 2.98 -2.441370517e+00 -2.441370517e+00 3.00 -2.477873972e+00 -2.477873972e+00 3.02 -2.507727304e+00 -2.507727304e+00 3.04 -2.531418634e+00 -2.531418634e+00 3.06 -2.549416608e+00 -2.549416608e+00 3.08 -2.562158528e+00 -2.562158528e+00 3.10 -2.570060991e+00 -2.570060991e+00 3.12 -2.573516261e+00 -2.573516261e+00 3.14 -2.572905324e+00 -2.572905324e+00 3.16 -2.568581342e+00 -2.568581342e+00 3.18 -2.560884088e+00 -2.560884088e+00 3.20 -2.550137487e+00 -2.550137487e+00 3.22 -2.536650514e+00 -2.536650514e+00 3.24 -2.520718011e+00 -2.520718011e+00 3.26 -2.502621338e+00 -2.502621338e+00 3.28 -2.482628441e+00 -2.482628441e+00 3.30 -2.460992749e+00 -2.460992749e+00 3.32 -2.437967646e+00 -2.437967646e+00 3.34 -2.413782890e+00 -2.413782890e+00 3.36 -2.388598385e+00 -2.388598385e+00 3.38 -2.362552687e+00 -2.362552687e+00 3.40 -2.335760989e+00 -2.335760989e+00 3.42 -2.308320915e+00 -2.308320915e+00 3.44 -2.280307009e+00 -2.280307009e+00 3.46 -2.251780556e+00 -2.251780556e+00 3.48 -2.222792035e+00 -2.222792035e+00 3.50 -2.193382101e+00 -2.193382101e+00 3.52 -2.163580080e+00 -2.163580080e+00 3.54 -2.133413540e+00 -2.133413540e+00 3.56 -2.102910155e+00 -2.102910155e+00 3.58 -2.072097939e+00 -2.072097939e+00 3.60 -2.041021422e+00 -2.041021422e+00 3.62 -2.009719525e+00 -2.009719525e+00 3.64 -1.978199958e+00 -1.978199958e+00 3.66 -1.946475221e+00 -1.946475221e+00 3.68 -1.914562682e+00 -1.914562682e+00 3.70 -1.882484759e+00 -1.882484759e+00 3.72 -1.850269306e+00 -1.850269306e+00 3.74 -1.817950116e+00 -1.817950116e+00 3.76 -1.785567462e+00 -1.785567462e+00 3.78 -1.753168533e+00 -1.753168533e+00 3.80 -1.720802681e+00 -1.720802681e+00 3.82 -1.688500506e+00 -1.688500506e+00 3.84 -1.656293898e+00 -1.656293898e+00 3.86 -1.624225402e+00 -1.624225402e+00 3.88 -1.592344613e+00 -1.592344613e+00 3.90 -1.560704125e+00 -1.560704125e+00 3.92 -1.529353403e+00 -1.529353403e+00 3.94 -1.498342814e+00 -1.498342814e+00 3.96 -1.467708150e+00 -1.467708150e+00 3.98 -1.437477704e+00 -1.437477704e+00 4.00 -1.407669592e+00 -1.407669592e+00 4.02 -1.378292608e+00 -1.378292608e+00 4.04 -1.349347904e+00 -1.349347904e+00 4.06 -1.320831066e+00 -1.320831066e+00 4.08 -1.292734207e+00 -1.292734207e+00 4.10 -1.265043669e+00 -1.265043669e+00 4.12 -1.237758683e+00 -1.237758683e+00 4.14 -1.210865270e+00 -1.210865270e+00 4.16 -1.184355864e+00 -1.184355864e+00 4.18 -1.158224549e+00 -1.158224549e+00 4.20 -1.132467114e+00 -1.132467114e+00 4.22 -1.107080937e+00 -1.107080937e+00 4.24 -1.082064785e+00 -1.082064785e+00 4.26 -1.057418564e+00 -1.057418564e+00 4.28 -1.033143070e+00 -1.033143070e+00 4.30 -1.009239738e+00 -1.009239738e+00 4.32 -9.857104223e-01 -9.857104223e-01 4.34 -9.625572053e-01 -9.625572053e-01 4.36 -9.397822278e-01 -9.397822278e-01 4.38 -9.173875510e-01 -9.173875510e-01 4.40 -8.953750386e-01 -8.953750386e-01 4.42 -8.737462579e-01 -8.737462579e-01 4.44 -8.525023966e-01 -8.525023966e-01 4.46 -8.316441925e-01 -8.316441925e-01 4.48 -8.111718757e-01 -8.111718757e-01 4.50 -7.910851220e-01 -7.910851220e-01 4.52 -7.713830178e-01 -7.713830178e-01 4.54 -7.520640373e-01 -7.520640373e-01 4.56 -7.331260339e-01 -7.331260339e-01 4.58 -7.145662451e-01 -7.145662451e-01 4.60 -6.963813135e-01 -6.963813135e-01 4.62 -6.785673220e-01 -6.785673220e-01 4.64 -6.611198442e-01 -6.611198442e-01 4.66 -6.440340070e-01 -6.440340070e-01 4.68 -6.273045638e-01 -6.273045638e-01 4.70 -6.109259734e-01 -6.109259734e-01 4.72 -5.948924810e-01 -5.948924810e-01 4.74 -5.791981963e-01 -5.791981963e-01 4.76 -5.638371633e-01 -5.638371633e-01 4.78 -5.488034193e-01 -5.488034193e-01 4.80 -5.340868999e-01 -5.340868999e-01 4.82 -5.196907065e-01 -5.196907065e-01 4.84 -5.056040948e-01 -5.056040948e-01 4.86 -4.918213546e-01 -4.918213546e-01 4.88 -4.783368172e-01 -4.783368172e-01 4.90 -4.651448283e-01 -4.651448283e-01 4.92 -4.522397168e-01 -4.522397168e-01 4.94 -4.396157638e-01 -4.396157638e-01 4.96 -4.272671767e-01 -4.272671767e-01 4.98 -4.151880706e-01 -4.151880706e-01 5.00 -4.033724618e-01 -4.033724618e-01 5.02 -3.918142728e-01 -3.918142728e-01 5.04 -3.805073517e-01 -3.805073517e-01 5.06 -3.694455043e-01 -3.694455043e-01 5.08 -3.586225389e-01 -3.586225389e-01 5.10 -3.480323222e-01 -3.480323222e-01 5.12 -3.376688435e-01 -3.376688435e-01 5.14 -3.275262849e-01 -3.275262849e-01 5.16 -3.175990962e-01 -3.175990962e-01 5.18 -3.078820693e-01 -3.078820693e-01 5.20 -2.983704129e-01 -2.983704129e-01 5.22 -2.890598233e-01 -2.890598233e-01 5.24 -2.799465524e-01 -2.799465524e-01 5.26 -2.710274710e-01 -2.710274710e-01 5.28 -2.623001283e-01 -2.623001283e-01 5.30 -2.537628051e-01 -2.537628051e-01 5.32 -2.454145612e-01 -2.454145612e-01 5.34 -2.372552696e-01 -2.372552696e-01 5.36 -2.292856324e-01 -2.292856324e-01 5.38 -2.215071677e-01 -2.215071677e-01 5.40 -2.139221556e-01 -2.139221556e-01 5.42 -2.065335323e-01 -2.065335323e-01 5.44 -1.993447239e-01 -1.993447239e-01 5.46 -1.923594170e-01 -1.923594170e-01 5.48 -1.855812736e-01 -1.855812736e-01 5.50 -1.790136039e-01 -1.790136039e-01 5.52 -1.726590236e-01 -1.726590236e-01 5.54 -1.665191243e-01 -1.665191243e-01 5.56 -1.605941871e-01 -1.605941871e-01 5.58 -1.548829713e-01 -1.548829713e-01 5.60 -1.493825944e-01 -1.493825944e-01 5.62 -1.440885097e-01 -1.440885097e-01 5.64 -1.389945826e-01 -1.389945826e-01 5.66 -1.340932480e-01 -1.340932480e-01 5.68 -1.293757286e-01 -1.293757286e-01 5.70 -1.248322938e-01 -1.248322938e-01 5.72 -1.204525330e-01 -1.204525330e-01 5.74 -1.162256240e-01 -1.162256240e-01 5.76 -1.121405822e-01 -1.121405822e-01 5.78 -1.081864659e-01 -1.081864659e-01 5.80 -1.043525687e-01 -1.043525687e-01 5.82 -1.006286006e-01 -1.006286006e-01 5.84 -9.700477757e-02 -9.700477757e-02 5.86 -9.347182311e-02 -9.347182311e-02 5.88 -9.002113773e-02 -9.002113773e-02 5.90 -8.664494680e-02 -8.664494680e-02 5.92 -8.333619412e-02 -8.333619412e-02 5.94 -8.008856691e-02 -8.008856691e-02 5.96 -7.689651274e-02 -7.689651274e-02 5.98 -7.375525058e-02 -7.375525058e-02 6.00 -7.066077800e-02 -7.066077800e-02