# 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 = CuMgMo2 # 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 2.921178707e+02 2.921178707e+02 1.30 2.702169549e+02 2.702169549e+02 1.32 2.499947796e+02 2.499947796e+02 1.34 2.313085988e+02 2.313085988e+02 1.36 2.140242114e+02 2.140242114e+02 1.38 1.980173742e+02 1.980173742e+02 1.40 1.831760205e+02 1.831760205e+02 1.42 1.694017297e+02 1.694017297e+02 1.44 1.566093144e+02 1.566093144e+02 1.46 1.447247481e+02 1.447247481e+02 1.48 1.336825805e+02 1.336825805e+02 1.50 1.234238660e+02 1.234238660e+02 1.52 1.138949061e+02 1.138949061e+02 1.54 1.050464894e+02 1.050464894e+02 1.56 9.683325872e+01 9.683325872e+01 1.58 8.921312202e+01 8.921312202e+01 1.60 8.214680600e+01 8.214680600e+01 1.62 7.559755681e+01 7.559755681e+01 1.64 6.953087291e+01 6.953087291e+01 1.66 6.391418072e+01 6.391418072e+01 1.68 5.871648417e+01 5.871648417e+01 1.70 5.391150407e+01 5.391150407e+01 1.72 4.947292550e+01 4.947292550e+01 1.74 4.537227665e+01 4.537227665e+01 1.76 4.158172689e+01 4.158172689e+01 1.78 3.807457312e+01 3.807457312e+01 1.80 3.482594221e+01 3.482594221e+01 1.82 3.181312334e+01 3.181312334e+01 1.84 2.901601916e+01 2.901601916e+01 1.86 2.641734746e+01 2.641734746e+01 1.88 2.400251016e+01 2.400251016e+01 1.90 2.175917709e+01 2.175917709e+01 1.92 1.967672012e+01 1.967672012e+01 1.94 1.774565671e+01 1.774565671e+01 1.96 1.595721017e+01 1.595721017e+01 1.98 1.430301888e+01 1.430301888e+01 2.00 1.277496398e+01 1.277496398e+01 2.02 1.136506963e+01 1.136506963e+01 2.04 1.006544671e+01 1.006544671e+01 2.06 8.868272488e+00 8.868272488e+00 2.08 7.765812272e+00 7.765812272e+00 2.10 6.750491134e+00 6.750491134e+00 2.12 5.815010876e+00 5.815010876e+00 2.14 4.952491195e+00 4.952491195e+00 2.16 4.156602088e+00 4.156602088e+00 2.18 3.421652177e+00 3.421652177e+00 2.20 2.742615013e+00 2.742615013e+00 2.22 2.115092409e+00 2.115092409e+00 2.24 1.535234481e+00 1.535234481e+00 2.26 9.996389337e-01 9.996389337e-01 2.28 5.052490866e-01 5.052490866e-01 2.30 4.926851904e-02 4.926851904e-02 2.32 -3.709021475e-01 -3.709021475e-01 2.34 -7.576949152e-01 -7.576949152e-01 2.36 -1.113381245e+00 -1.113381245e+00 2.38 -1.440064249e+00 -1.440064249e+00 2.40 -1.739550744e+00 -1.739550744e+00 2.42 -2.013444163e+00 -2.013444163e+00 2.44 -2.263636600e+00 -2.263636600e+00 2.46 -2.491836167e+00 -2.491836167e+00 2.48 -2.699575308e+00 -2.699575308e+00 2.50 -2.888235584e+00 -2.888235584e+00 2.52 -3.059064503e+00 -3.059064503e+00 2.54 -3.213187490e+00 -3.213187490e+00 2.56 -3.351553731e+00 -3.351553731e+00 2.58 -3.474671468e+00 -3.474671468e+00 2.60 -3.582924743e+00 -3.582924743e+00 2.62 -3.676715992e+00 -3.676715992e+00 2.64 -3.756468492e+00 -3.756468492e+00 2.66 -3.822629231e+00 -3.822629231e+00 2.68 -3.875673625e+00 -3.875673625e+00 2.70 -3.916106228e+00 -3.916106228e+00 2.72 -3.944457429e+00 -3.944457429e+00 2.74 -3.961276180e+00 -3.961276180e+00 2.76 -3.967120934e+00 -3.967120934e+00 2.78 -3.962708703e+00 -3.962708703e+00 2.80 -3.948602723e+00 -3.948602723e+00 2.82 -3.925170196e+00 -3.925170196e+00 2.84 -3.892833357e+00 -3.892833357e+00 2.86 -3.852077528e+00 -3.852077528e+00 2.88 -3.803461062e+00 -3.803461062e+00 2.90 -3.747623749e+00 -3.747623749e+00 2.92 -3.685290254e+00 -3.685290254e+00 2.94 -3.617266670e+00 -3.617266670e+00 2.96 -3.544441674e+00 -3.544441674e+00 2.98 -3.467754087e+00 -3.467754087e+00 3.00 -3.388146335e+00 -3.388146335e+00 3.02 -3.306526102e+00 -3.306526102e+00 3.04 -3.223727526e+00 -3.223727526e+00 3.06 -3.140477481e+00 -3.140477481e+00 3.08 -3.057369034e+00 -3.057369034e+00 3.10 -2.974847974e+00 -2.974847974e+00 3.12 -2.893210405e+00 -2.893210405e+00 3.14 -2.812613147e+00 -2.812613147e+00 3.16 -2.733089776e+00 -2.733089776e+00 3.18 -2.654575824e+00 -2.654575824e+00 3.20 -2.576935244e+00 -2.576935244e+00 3.22 -2.499987917e+00 -2.499987917e+00 3.24 -2.423536089e+00 -2.423536089e+00 3.26 -2.347388527e+00 -2.347388527e+00 3.28 -2.271381555e+00 -2.271381555e+00 3.30 -2.195400638e+00 -2.195400638e+00 3.32 -2.119421126e+00 -2.119421126e+00 3.34 -2.043388528e+00 -2.043388528e+00 3.36 -1.967302556e+00 -1.967302556e+00 3.38 -1.891247399e+00 -1.891247399e+00 3.40 -1.815353559e+00 -1.815353559e+00 3.42 -1.739620819e+00 -1.739620819e+00 3.44 -1.664084571e+00 -1.664084571e+00 3.46 -1.588900553e+00 -1.588900553e+00 3.48 -1.514327928e+00 -1.514327928e+00 3.50 -1.440704687e+00 -1.440704687e+00 3.52 -1.368417605e+00 -1.368417605e+00 3.54 -1.297869881e+00 -1.297869881e+00 3.56 -1.229449980e+00 -1.229449980e+00 3.58 -1.163504852e+00 -1.163504852e+00 3.60 -1.100319853e+00 -1.100319853e+00 3.62 -1.040106523e+00 -1.040106523e+00 3.64 -9.829982091e-01 -9.829982091e-01 3.66 -9.290525786e-01 -9.290525786e-01 3.68 -8.782594481e-01 -8.782594481e-01 3.70 -8.305521393e-01 -8.305521393e-01 3.72 -7.858205950e-01 -7.858205950e-01 3.74 -7.439247380e-01 -7.439247380e-01 3.76 -7.047068803e-01 -7.047068803e-01 3.78 -6.680023327e-01 -6.680023327e-01 3.80 -6.336476912e-01 -6.336476912e-01 3.82 -6.014865710e-01 -6.014865710e-01 3.84 -5.713728250e-01 -5.713728250e-01 3.86 -5.431715338e-01 -5.431715338e-01 3.88 -5.167582506e-01 -5.167582506e-01 3.90 -4.920171282e-01 -4.920171282e-01 3.92 -4.688384910e-01 -4.688384910e-01 3.94 -4.471170534e-01 -4.471170534e-01 3.96 -4.267496269e-01 -4.267496269e-01 3.98 -4.076347106e-01 -4.076347106e-01 4.00 -3.896722492e-01 -3.896722492e-01 4.02 -3.727641129e-01 -3.727641129e-01 4.04 -3.568149370e-01 -3.568149370e-01 4.06 -3.417330907e-01 -3.417330907e-01 4.08 -3.274315677e-01 -3.274315677e-01 4.10 -3.138283267e-01 -3.138283267e-01 4.12 -3.008483920e-01 -3.008483920e-01 4.14 -2.884213542e-01 -2.884213542e-01 4.16 -2.764829889e-01 -2.764829889e-01 4.18 -2.649773382e-01 -2.649773382e-01 4.20 -2.538544032e-01 -2.538544032e-01 4.22 -2.430702230e-01 -2.430702230e-01 4.24 -2.325871669e-01 -2.325871669e-01 4.26 -2.223741883e-01 -2.223741883e-01 4.28 -2.124070672e-01 -2.124070672e-01 4.30 -2.026686239e-01 -2.026686239e-01 4.32 -1.931488552e-01 -1.931488552e-01 4.34 -1.838449208e-01 -1.838449208e-01 4.36 -1.747608995e-01 -1.747608995e-01 4.38 -1.659072385e-01 -1.659072385e-01 4.40 -1.572998469e-01 -1.572998469e-01 4.42 -1.489588260e-01 -1.489588260e-01 4.44 -1.409068810e-01 -1.409068810e-01 4.46 -1.331675200e-01 -1.331675200e-01 4.48 -1.257631879e-01 -1.257631879e-01 4.50 -1.187135104e-01 -1.187135104e-01 4.52 -1.120338165e-01 -1.120338165e-01 4.54 -1.057340724e-01 -1.057340724e-01 4.56 -9.981830310e-02 -9.981830310e-02 4.58 -9.428451044e-02 -9.428451044e-02 4.60 -8.912503483e-02 -8.912503483e-02 4.62 -8.432726316e-02 -8.432726316e-02 4.64 -7.987456147e-02 -7.987456147e-02 4.66 -7.574731042e-02 -7.574731042e-02 4.68 -7.192393700e-02 -7.192393700e-02 4.70 -6.838186219e-02 -6.838186219e-02 4.72 -6.509831293e-02 -6.509831293e-02 4.74 -6.205097374e-02 -6.205097374e-02 4.76 -5.921847500e-02 -5.921847500e-02 4.78 -5.658072858e-02 -5.658072858e-02 4.80 -5.411892914e-02 -5.411892914e-02 4.82 -5.181651226e-02 -5.181651226e-02 4.84 -4.965781517e-02 -4.965781517e-02 4.86 -4.762897252e-02 -4.762897252e-02 4.88 -4.571761641e-02 -4.571761641e-02 4.90 -4.391274990e-02 -4.391274990e-02 4.92 -4.220462362e-02 -4.220462362e-02 4.94 -4.058461098e-02 -4.058461098e-02 4.96 -3.904508551e-02 -3.904508551e-02 4.98 -3.757930448e-02 -3.757930448e-02 5.00 -3.618129938e-02 -3.618129938e-02 5.02 -3.484577861e-02 -3.484577861e-02 5.04 -3.356803976e-02 -3.356803976e-02 5.06 -3.234389191e-02 -3.234389191e-02 5.08 -3.116958781e-02 -3.116958781e-02 5.10 -3.004176528e-02 -3.004176528e-02 5.12 -2.895739714e-02 -2.895739714e-02 5.14 -2.791374899e-02 -2.791374899e-02 5.16 -2.690834403e-02 -2.690834403e-02 5.18 -2.593893430e-02 -2.593893430e-02 5.20 -2.500347764e-02 -2.500347764e-02 5.22 -2.410011985e-02 -2.410011985e-02 5.24 -2.322718123e-02 -2.322718123e-02 5.26 -2.238314689e-02 -2.238314689e-02 5.28 -2.156666007e-02 -2.156666007e-02 5.30 -2.077651758e-02 -2.077651758e-02 5.32 -2.001166617e-02 -2.001166617e-02 5.34 -1.927119889e-02 -1.927119889e-02 5.36 -1.855431998e-02 -1.855431998e-02 5.38 -1.786038110e-02 -1.786038110e-02 5.40 -1.718888388e-02 -1.718888388e-02 5.42 -1.653943630e-02 -1.653943630e-02 5.44 -1.591173309e-02 -1.591173309e-02 5.46 -1.530553198e-02 -1.530553198e-02 5.48 -1.472062665e-02 -1.472062665e-02 5.50 -1.415681829e-02 -1.415681829e-02 5.52 -1.361388758e-02 -1.361388758e-02 5.54 -1.309156938e-02 -1.309156938e-02 5.56 -1.258953215e-02 -1.258953215e-02 5.58 -1.210736361e-02 -1.210736361e-02 5.60 -1.164456329e-02 -1.164456329e-02 5.62 -1.120054217e-02 -1.120054217e-02 5.64 -1.077462841e-02 -1.077462841e-02 5.66 -1.036607810e-02 -1.036607810e-02 5.68 -9.974089238e-03 -9.974089238e-03 5.70 -9.597817392e-03 -9.597817392e-03 5.72 -9.236391579e-03 -9.236391579e-03 5.74 -8.888929127e-03 -8.888929127e-03 5.76 -8.554548763e-03 -8.554548763e-03 5.78 -8.232381486e-03 -8.232381486e-03 5.80 -7.921579112e-03 -7.921579112e-03 5.82 -7.621320601e-03 -7.621320601e-03 5.84 -7.330816489e-03 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