# 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 = MoPdW2 # 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 4.288900614e+02 4.288900614e+02 1.30 3.969320855e+02 3.969320855e+02 1.32 3.673923476e+02 3.673923476e+02 1.34 3.400710939e+02 3.400710939e+02 1.36 3.147853612e+02 3.147853612e+02 1.38 2.913664712e+02 2.913664712e+02 1.40 2.696598410e+02 2.696598410e+02 1.42 2.495255349e+02 2.495255349e+02 1.44 2.308381635e+02 2.308381635e+02 1.46 2.134856469e+02 2.134856469e+02 1.48 1.973672856e+02 1.973672856e+02 1.50 1.823919681e+02 1.823919681e+02 1.52 1.684769971e+02 1.684769971e+02 1.54 1.555473808e+02 1.555473808e+02 1.56 1.435351135e+02 1.435351135e+02 1.58 1.323781434e+02 1.323781434e+02 1.60 1.220191187e+02 1.220191187e+02 1.62 1.124042306e+02 1.124042306e+02 1.64 1.034823889e+02 1.034823889e+02 1.66 9.520476996e+01 9.520476996e+01 1.68 8.752466695e+01 8.752466695e+01 1.70 8.039754916e+01 8.039754916e+01 1.72 7.378124563e+01 7.378124563e+01 1.74 6.763619679e+01 6.763619679e+01 1.76 6.192574382e+01 6.192574382e+01 1.78 5.661639765e+01 5.661639765e+01 1.80 5.167798769e+01 5.167798769e+01 1.82 4.708360435e+01 4.708360435e+01 1.84 4.280931801e+01 4.280931801e+01 1.86 3.883383779e+01 3.883383779e+01 1.88 3.513894619e+01 3.513894619e+01 1.90 3.170705986e+01 3.170705986e+01 1.92 2.852325958e+01 2.852325958e+01 1.94 2.558274521e+01 2.558274521e+01 1.96 2.287421637e+01 2.287421637e+01 1.98 2.038076264e+01 2.038076264e+01 2.00 1.808652118e+01 1.808652118e+01 2.02 1.597651803e+01 1.597651803e+01 2.04 1.403652372e+01 1.403652372e+01 2.06 1.225294032e+01 1.225294032e+01 2.08 1.061274074e+01 1.061274074e+01 2.10 9.103480164e+00 9.103480164e+00 2.12 7.713386698e+00 7.713386698e+00 2.14 6.431513058e+00 6.431513058e+00 2.16 5.247905052e+00 5.247905052e+00 2.18 4.153731804e+00 4.153731804e+00 2.20 3.141334289e+00 3.141334289e+00 2.22 2.204177009e+00 2.204177009e+00 2.24 1.336717711e+00 1.336717711e+00 2.26 5.342289633e-01 5.342289633e-01 2.28 -2.073914267e-01 -2.073914267e-01 2.30 -8.917925206e-01 -8.917925206e-01 2.32 -1.522309179e+00 -1.522309179e+00 2.34 -2.102063368e+00 -2.102063368e+00 2.36 -2.634030617e+00 -2.634030617e+00 2.38 -3.121077755e+00 -3.121077755e+00 2.40 -3.565979077e+00 -3.565979077e+00 2.42 -3.971417945e+00 -3.971417945e+00 2.44 -4.339979744e+00 -4.339979744e+00 2.46 -4.674139988e+00 -4.674139988e+00 2.48 -4.976248888e+00 -4.976248888e+00 2.50 -5.248488890e+00 -5.248488890e+00 2.52 -5.492747919e+00 -5.492747919e+00 2.54 -5.711000351e+00 -5.711000351e+00 2.56 -5.905061693e+00 -5.905061693e+00 2.58 -6.076529415e+00 -6.076529415e+00 2.60 -6.226803666e+00 -6.226803666e+00 2.62 -6.357118931e+00 -6.357118931e+00 2.64 -6.468580797e+00 -6.468580797e+00 2.66 -6.562190187e+00 -6.562190187e+00 2.68 -6.638559516e+00 -6.638559516e+00 2.70 -6.697961006e+00 -6.697961006e+00 2.72 -6.740732604e+00 -6.740732604e+00 2.74 -6.767208760e+00 -6.767208760e+00 2.76 -6.777834254e+00 -6.777834254e+00 2.78 -6.773242718e+00 -6.773242718e+00 2.80 -6.754087862e+00 -6.754087862e+00 2.82 -6.721039120e+00 -6.721039120e+00 2.84 -6.674783635e+00 -6.674783635e+00 2.86 -6.616033835e+00 -6.616033835e+00 2.88 -6.545539347e+00 -6.545539347e+00 2.90 -6.464096296e+00 -6.464096296e+00 2.92 -6.372452476e+00 -6.372452476e+00 2.94 -6.271652108e+00 -6.271652108e+00 2.96 -6.162685714e+00 -6.162685714e+00 2.98 -6.046137168e+00 -6.046137168e+00 3.00 -5.922700373e+00 -5.922700373e+00 3.02 -5.793139139e+00 -5.793139139e+00 3.04 -5.658239304e+00 -5.658239304e+00 3.06 -5.518770337e+00 -5.518770337e+00 3.08 -5.375510312e+00 -5.375510312e+00 3.10 -5.229146864e+00 -5.229146864e+00 3.12 -5.080211658e+00 -5.080211658e+00 3.14 -4.929079790e+00 -4.929079790e+00 3.16 -4.775982543e+00 -4.775982543e+00 3.18 -4.621030646e+00 -4.621030646e+00 3.20 -4.464244842e+00 -4.464244842e+00 3.22 -4.305590654e+00 -4.305590654e+00 3.24 -4.145014747e+00 -4.145014747e+00 3.26 -3.982480868e+00 -3.982480868e+00 3.28 -3.818003873e+00 -3.818003873e+00 3.30 -3.651680585e+00 -3.651680585e+00 3.32 -3.483716203e+00 -3.483716203e+00 3.34 -3.314444870e+00 -3.314444870e+00 3.36 -3.144342740e+00 -3.144342740e+00 3.38 -2.974031907e+00 -2.974031907e+00 3.40 -2.804273750e+00 -2.804273750e+00 3.42 -2.635950939e+00 -2.635950939e+00 3.44 -2.470038301e+00 -2.470038301e+00 3.46 -2.307564060e+00 -2.307564060e+00 3.48 -2.149564262e+00 -2.149564262e+00 3.50 -1.997034281e+00 -1.997034281e+00 3.52 -1.850881874e+00 -1.850881874e+00 3.54 -1.711886206e+00 -1.711886206e+00 3.56 -1.580666455e+00 -1.580666455e+00 3.58 -1.457662381e+00 -1.457662381e+00 3.60 -1.343127620e+00 -1.343127620e+00 3.62 -1.237134967e+00 -1.237134967e+00 3.64 -1.139591688e+00 -1.139591688e+00 3.66 -1.050262127e+00 -1.050262127e+00 3.68 -9.687946203e-01 -9.687946203e-01 3.70 -8.947499035e-01 -8.947499035e-01 3.72 -8.276286831e-01 -8.276286831e-01 3.74 -7.668966638e-01 -7.668966638e-01 3.76 -7.120059931e-01 -7.120059931e-01 3.78 -6.624126549e-01 -6.624126549e-01 3.80 -6.175898086e-01 -6.175898086e-01 3.82 -5.770373848e-01 -5.770373848e-01 3.84 -5.402884391e-01 -5.402884391e-01 3.86 -5.069128480e-01 -5.069128480e-01 3.88 -4.765189351e-01 -4.765189351e-01 3.90 -4.487535726e-01 -4.487535726e-01 3.92 -4.233012234e-01 -4.233012234e-01 3.94 -3.998823047e-01 -3.998823047e-01 3.96 -3.782511584e-01 -3.782511584e-01 3.98 -3.581938227e-01 -3.581938227e-01 4.00 -3.395257317e-01 -3.395257317e-01 4.02 -3.220893973e-01 -3.220893973e-01 4.04 -3.057520599e-01 -3.057520599e-01 4.06 -2.904032481e-01 -2.904032481e-01 4.08 -2.759522338e-01 -2.759522338e-01 4.10 -2.623252904e-01 -2.623252904e-01 4.12 -2.494628464e-01 -2.494628464e-01 4.14 -2.373167403e-01 -2.373167403e-01 4.16 -2.258470527e-01 -2.258470527e-01 4.18 -2.150193250e-01 -2.150193250e-01 4.20 -2.048021060e-01 -2.048021060e-01 4.22 -1.951649661e-01 -1.951649661e-01 4.24 -1.860770638e-01 -1.860770638e-01 4.26 -1.775062879e-01 -1.775062879e-01 4.28 -1.694189310e-01 -1.694189310e-01 4.30 -1.617798093e-01 -1.617798093e-01 4.32 -1.545526870e-01 -1.545526870e-01 4.34 -1.477008375e-01 -1.477008375e-01 4.36 -1.411874423e-01 -1.411874423e-01 4.38 -1.349769018e-01 -1.349769018e-01 4.40 -1.290349345e-01 -1.290349345e-01 4.42 -1.233288719e-01 -1.233288719e-01 4.44 -1.178280340e-01 -1.178280340e-01 4.46 -1.125040054e-01 -1.125040054e-01 4.48 -1.073308419e-01 -1.073308419e-01 4.50 -1.022852421e-01 -1.022852421e-01 4.52 -9.734670976e-02 -9.734670976e-02 4.54 -9.249772577e-02 -9.249772577e-02 4.56 -8.772394028e-02 -8.772394028e-02 4.58 -8.301438307e-02 -8.301438307e-02 4.60 -7.836167929e-02 -7.836167929e-02 4.62 -7.376224649e-02 -7.376224649e-02 4.64 -6.921643889e-02 -6.921643889e-02 4.66 -6.472859796e-02 -6.472859796e-02 4.68 -6.030696591e-02 -6.030696591e-02 4.70 -5.596342335e-02 -5.596342335e-02 4.72 -5.171302416e-02 -5.171302416e-02 4.74 -4.757332013e-02 -4.757332013e-02 4.76 -4.356349375e-02 -4.356349375e-02 4.78 -3.970334480e-02 -3.970334480e-02 4.80 -3.601220151e-02 -3.601220151e-02 4.82 -3.250784541e-02 -3.250784541e-02 4.84 -2.920553760e-02 -2.920553760e-02 4.86 -2.611723602e-02 -2.611723602e-02 4.88 -2.325106044e-02 -2.325106044e-02 4.90 -2.061103643e-02 -2.061103643e-02 4.92 -1.819711557e-02 -1.819711557e-02 4.94 -1.600514763e-02 -1.600514763e-02 4.96 -1.402791446e-02 -1.402791446e-02 4.98 -1.225568465e-02 -1.225568465e-02 5.00 -1.067650760e-02 -1.067650760e-02 5.02 -9.276895336e-03 -9.276895336e-03 5.04 -8.042456308e-03 -8.042456308e-03 5.06 -6.958449926e-03 -6.958449926e-03 5.08 -6.010244877e-03 -6.010244877e-03 5.10 -5.183676741e-03 -5.183676741e-03 5.12 -4.465309299e-03 -4.465309299e-03 5.14 -3.842609809e-03 -3.842609809e-03 5.16 -3.304051535e-03 -3.304051535e-03 5.18 -2.839157773e-03 -2.839157773e-03 5.20 -2.438501070e-03 -2.438501070e-03 5.22 -2.093669855e-03 -2.093669855e-03 5.24 -1.797212900e-03 -1.797212900e-03 5.26 -1.542569987e-03 -1.542569987e-03 5.28 -1.323995327e-03 -1.323995327e-03 5.30 -1.136478593e-03 -1.136478593e-03 5.32 -9.756670428e-04 -9.756670428e-04 5.34 -8.377910896e-04 -8.377910896e-04 5.36 -7.195947740e-04 -7.195947740e-04 5.38 -6.182719690e-04 -6.182719690e-04 5.40 -5.314086426e-04 -5.314086426e-04 5.42 -4.569311813e-04 -4.569311813e-04 5.44 -3.930605503e-04 -3.930605503e-04 5.46 -3.382719261e-04 -3.382719261e-04 5.48 -2.912593627e-04 -2.912593627e-04 5.50 -2.509050153e-04 -2.509050153e-04 5.52 -2.162524440e-04 -2.162524440e-04 5.54 -1.864835350e-04 -1.864835350e-04 5.56 -1.608986040e-04 -1.608986040e-04 5.58 -1.388992842e-04 -1.388992842e-04 5.60 -1.199738357e-04 -1.199738357e-04 5.62 -1.036845539e-04 -1.036845539e-04 5.64 -8.965699029e-05 -8.965699029e-05 5.66 -7.757073377e-05 -7.757073377e-05 5.68 -6.715153264e-05 -6.715153264e-05 5.70 -5.816456642e-05 -5.816456642e-05 5.72 -5.040870199e-05 -5.040870199e-05 5.74 -4.371159147e-05 -4.371159147e-05 5.76 -3.792548911e-05 -3.792548911e-05 5.78 -3.292368209e-05 -3.292368209e-05 5.80 -2.859744498e-05 -2.859744498e-05 5.82 -2.485344074e-05 -2.485344074e-05 5.84 -2.161150251e-05 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