# 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 = Co2CuTi # 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 1.486932259e+02 1.486932259e+02 1.30 1.365859200e+02 1.365859200e+02 1.32 1.254418377e+02 1.254418377e+02 1.34 1.151790788e+02 1.151790788e+02 1.36 1.057231212e+02 1.057231212e+02 1.38 9.700695357e+01 9.700695357e+01 1.40 8.897021425e+01 8.897021425e+01 1.42 8.155808979e+01 8.155808979e+01 1.44 7.472031958e+01 7.472031958e+01 1.46 6.841058056e+01 6.841058056e+01 1.48 6.258635002e+01 6.258635002e+01 1.50 5.720892595e+01 5.720892595e+01 1.52 5.224316476e+01 5.224316476e+01 1.54 4.765697369e+01 4.765697369e+01 1.56 4.342092059e+01 4.342092059e+01 1.58 3.950805296e+01 3.950805296e+01 1.60 3.589377385e+01 3.589377385e+01 1.62 3.255566400e+01 3.255566400e+01 1.64 2.947319795e+01 2.947319795e+01 1.66 2.662748541e+01 2.662748541e+01 1.68 2.400144391e+01 2.400144391e+01 1.70 2.157975025e+01 2.157975025e+01 1.72 1.934680612e+01 1.934680612e+01 1.74 1.728806978e+01 1.728806978e+01 1.76 1.539003936e+01 1.539003936e+01 1.78 1.364024820e+01 1.364024820e+01 1.80 1.202731983e+01 1.202731983e+01 1.82 1.054100516e+01 1.054100516e+01 1.84 9.172114121e+00 9.172114121e+00 1.86 7.912338554e+00 7.912338554e+00 1.88 6.754028563e+00 6.754028563e+00 1.90 5.689989619e+00 5.689989619e+00 1.92 4.713345540e+00 4.713345540e+00 1.94 3.817495240e+00 3.817495240e+00 1.96 2.996162608e+00 2.996162608e+00 1.98 2.243496945e+00 2.243496945e+00 2.00 1.554157510e+00 1.554157510e+00 2.02 9.233345976e-01 9.233345976e-01 2.04 3.467017853e-01 3.467017853e-01 2.06 -1.796698432e-01 -1.796698432e-01 2.08 -6.593932857e-01 -6.593932857e-01 2.10 -1.095818989e+00 -1.095818989e+00 2.12 -1.492064272e+00 -1.492064272e+00 2.14 -1.851033896e+00 -1.851033896e+00 2.16 -2.175439794e+00 -2.175439794e+00 2.18 -2.467820698e+00 -2.467820698e+00 2.20 -2.730561608e+00 -2.730561608e+00 2.22 -2.965914803e+00 -2.965914803e+00 2.24 -3.176020431e+00 -3.176020431e+00 2.26 -3.362921320e+00 -3.362921320e+00 2.28 -3.528567454e+00 -3.528567454e+00 2.30 -3.674808827e+00 -3.674808827e+00 2.32 -3.803379901e+00 -3.803379901e+00 2.34 -3.915877572e+00 -3.915877572e+00 2.36 -4.013739645e+00 -4.013739645e+00 2.38 -4.098232210e+00 -4.098232210e+00 2.40 -4.170454241e+00 -4.170454241e+00 2.42 -4.231360383e+00 -4.231360383e+00 2.44 -4.281801509e+00 -4.281801509e+00 2.46 -4.322605025e+00 -4.322605025e+00 2.48 -4.354443577e+00 -4.354443577e+00 2.50 -4.378012451e+00 -4.378012451e+00 2.52 -4.393944672e+00 -4.393944672e+00 2.54 -4.402775662e+00 -4.402775662e+00 2.56 -4.405062904e+00 -4.405062904e+00 2.58 -4.401377503e+00 -4.401377503e+00 2.60 -4.392245298e+00 -4.392245298e+00 2.62 -4.378113504e+00 -4.378113504e+00 2.64 -4.359594071e+00 -4.359594071e+00 2.66 -4.336825781e+00 -4.336825781e+00 2.68 -4.309805514e+00 -4.309805514e+00 2.70 -4.278550343e+00 -4.278550343e+00 2.72 -4.243135006e+00 -4.243135006e+00 2.74 -4.203681561e+00 -4.203681561e+00 2.76 -4.160347791e+00 -4.160347791e+00 2.78 -4.113324881e+00 -4.113324881e+00 2.80 -4.062840084e+00 -4.062840084e+00 2.82 -4.009119320e+00 -4.009119320e+00 2.84 -3.952379623e+00 -3.952379623e+00 2.86 -3.892831592e+00 -3.892831592e+00 2.88 -3.830684401e+00 -3.830684401e+00 2.90 -3.766151656e+00 -3.766151656e+00 2.92 -3.699456883e+00 -3.699456883e+00 2.94 -3.630838222e+00 -3.630838222e+00 2.96 -3.560552322e+00 -3.560552322e+00 2.98 -3.488877195e+00 -3.488877195e+00 3.00 -3.416112904e+00 -3.416112904e+00 3.02 -3.342578152e+00 -3.342578152e+00 3.04 -3.268601011e+00 -3.268601011e+00 3.06 -3.194504006e+00 -3.194504006e+00 3.08 -3.120585484e+00 -3.120585484e+00 3.10 -3.047102640e+00 -3.047102640e+00 3.12 -2.974260018e+00 -2.974260018e+00 3.14 -2.902206470e+00 -2.902206470e+00 3.16 -2.831039454e+00 -2.831039454e+00 3.18 -2.760814974e+00 -2.760814974e+00 3.20 -2.691559200e+00 -2.691559200e+00 3.22 -2.623279438e+00 -2.623279438e+00 3.24 -2.555972937e+00 -2.555972937e+00 3.26 -2.489633131e+00 -2.489633131e+00 3.28 -2.424253581e+00 -2.424253581e+00 3.30 -2.359830145e+00 -2.359830145e+00 3.32 -2.296361926e+00 -2.296361926e+00 3.34 -2.233851470e+00 -2.233851470e+00 3.36 -2.172304575e+00 -2.172304575e+00 3.38 -2.111729945e+00 -2.111729945e+00 3.40 -2.052138882e+00 -2.052138882e+00 3.42 -1.993545205e+00 -1.993545205e+00 3.44 -1.935965203e+00 -1.935965203e+00 3.46 -1.879417914e+00 -1.879417914e+00 3.48 -1.823925305e+00 -1.823925305e+00 3.50 -1.769512226e+00 -1.769512226e+00 3.52 -1.716205800e+00 -1.716205800e+00 3.54 -1.664034027e+00 -1.664034027e+00 3.56 -1.613023520e+00 -1.613023520e+00 3.58 -1.563196605e+00 -1.563196605e+00 3.60 -1.514568306e+00 -1.514568306e+00 3.62 -1.467143889e+00 -1.467143889e+00 3.64 -1.420917615e+00 -1.420917615e+00 3.66 -1.375873051e+00 -1.375873051e+00 3.68 -1.331984917e+00 -1.331984917e+00 3.70 -1.289222109e+00 -1.289222109e+00 3.72 -1.247551327e+00 -1.247551327e+00 3.74 -1.206940673e+00 -1.206940673e+00 3.76 -1.167362717e+00 -1.167362717e+00 3.78 -1.128796622e+00 -1.128796622e+00 3.80 -1.091229131e+00 -1.091229131e+00 3.82 -1.054654346e+00 -1.054654346e+00 3.84 -1.019072404e+00 -1.019072404e+00 3.86 -9.844872921e-01 -9.844872921e-01 3.88 -9.509041407e-01 -9.509041407e-01 3.90 -9.183264113e-01 -9.183264113e-01 3.92 -8.867533570e-01 -8.867533570e-01 3.94 -8.561782015e-01 -8.561782015e-01 3.96 -8.265868901e-01 -8.265868901e-01 3.98 -7.979579062e-01 -7.979579062e-01 4.00 -7.702627002e-01 -7.702627002e-01 4.02 -7.434666976e-01 -7.434666976e-01 4.04 -7.175306530e-01 -7.175306530e-01 4.06 -6.924121582e-01 -6.924121582e-01 4.08 -6.680671635e-01 -6.680671635e-01 4.10 -6.444513638e-01 -6.444513638e-01 4.12 -6.215217728e-01 -6.215217728e-01 4.14 -5.992375427e-01 -5.992375427e-01 4.16 -5.775613182e-01 -5.775613182e-01 4.18 -5.564601195e-01 -5.564601195e-01 4.20 -5.359061451e-01 -5.359061451e-01 4.22 -5.158773757e-01 -5.158773757e-01 4.24 -4.963579169e-01 -4.963579169e-01 4.26 -4.773380186e-01 -4.773380186e-01 4.28 -4.588137323e-01 -4.588137323e-01 4.30 -4.407862098e-01 -4.407862098e-01 4.32 -4.232607005e-01 -4.232607005e-01 4.34 -4.062453527e-01 -4.062453527e-01 4.36 -3.897499449e-01 -3.897499449e-01 4.38 -3.737846679e-01 -3.737846679e-01 4.40 -3.583590392e-01 -3.583590392e-01 4.42 -3.434809820e-01 -3.434809820e-01 4.44 -3.291560624e-01 -3.291560624e-01 4.46 -3.153868573e-01 -3.153868573e-01 4.48 -3.021724327e-01 -3.021724327e-01 4.50 -2.895079349e-01 -2.895079349e-01 4.52 -2.773843152e-01 -2.773843152e-01 4.54 -2.657882261e-01 -2.657882261e-01 4.56 -2.547021149e-01 -2.547021149e-01 4.58 -2.441045273e-01 -2.441045273e-01 4.60 -2.339706033e-01 -2.339706033e-01 4.62 -2.242727308e-01 -2.242727308e-01 4.64 -2.149813033e-01 -2.149813033e-01 4.66 -2.060655301e-01 -2.060655301e-01 4.68 -1.974942526e-01 -1.974942526e-01 4.70 -1.892367324e-01 -1.892367324e-01 4.72 -1.812633944e-01 -1.812633944e-01 4.74 -1.735465153e-01 -1.735465153e-01 4.76 -1.660608610e-01 -1.660608610e-01 4.78 -1.587842715e-01 -1.587842715e-01 4.80 -1.516981501e-01 -1.516981501e-01 4.82 -1.447881000e-01 -1.447881000e-01 4.84 -1.380440210e-01 -1.380440210e-01 4.86 -1.314605376e-01 -1.314605376e-01 4.88 -1.250370082e-01 -1.250370082e-01 4.90 -1.187773608e-01 -1.187773608e-01 4.92 -1.126896680e-01 -1.126896680e-01 4.94 -1.067854480e-01 -1.067854480e-01 4.96 -1.010787085e-01 -1.010787085e-01 4.98 -9.558479060e-02 -9.558479060e-02 5.00 -9.031910011e-02 -9.031910011e-02 5.02 -8.529584213e-02 -8.529584213e-02 5.04 -8.052687546e-02 -8.052687546e-02 5.06 -7.602079294e-02 -7.602079294e-02 5.08 -7.178216820e-02 -7.178216820e-02 5.10 -6.781144948e-02 -6.781144948e-02 5.12 -6.410521172e-02 -6.410521172e-02 5.14 -6.065615846e-02 -6.065615846e-02 5.16 -5.745366887e-02 -5.745366887e-02 5.18 -5.448442578e-02 -5.448442578e-02 5.20 -5.173310549e-02 -5.173310549e-02 5.22 -4.918344817e-02 -4.918344817e-02 5.24 -4.681858717e-02 -4.681858717e-02 5.26 -4.462158375e-02 -4.462158375e-02 5.28 -4.257587853e-02 -4.257587853e-02 5.30 -4.066562376e-02 -4.066562376e-02 5.32 -3.887590730e-02 -3.887590730e-02 5.34 -3.719288471e-02 -3.719288471e-02 5.36 -3.560383824e-02 -3.560383824e-02 5.38 -3.409718105e-02 -3.409718105e-02 5.40 -3.266242384e-02 -3.266242384e-02 5.42 -3.129011819e-02 -3.129011819e-02 5.44 -2.997178852e-02 -2.997178852e-02 5.46 -2.869986198e-02 -2.869986198e-02 5.48 -2.746760312e-02 -2.746760312e-02 5.50 -2.626905826e-02 -2.626905826e-02 5.52 -2.509901280e-02 -2.509901280e-02 5.54 -2.395296314e-02 -2.395296314e-02 5.56 -2.282710303e-02 -2.282710303e-02 5.58 -2.171832391e-02 -2.171832391e-02 5.60 -2.062422639e-02 -2.062422639e-02 5.62 -1.954313905e-02 -1.954313905e-02 5.64 -1.847413952e-02 -1.847413952e-02 5.66 -1.741707144e-02 -1.741707144e-02 5.68 -1.637255007e-02 -1.637255007e-02 5.70 -1.534194922e-02 -1.534194922e-02 5.72 -1.432736250e-02 -1.432736250e-02 5.74 -1.333153330e-02 -1.333153330e-02 5.76 -1.235774894e-02 -1.235774894e-02 5.78 -1.140960162e-02 -1.140960162e-02 5.80 -1.049100929e-02 -1.049100929e-02 5.82 -9.606016629e-03 -9.606016629e-03 5.84 -8.758521674e-03 -8.758521674e-03 5.86 -7.952085545e-03 -7.952085545e-03 5.88 -7.189762750e-03 -7.189762750e-03 5.90 -6.473964780e-03 -6.473964780e-03 5.92 -5.806366202e-03 -5.806366202e-03 5.94 -5.187857897e-03 -5.187857897e-03 5.96 -4.618547146e-03 -4.618547146e-03 5.98 -4.097799859e-03 -4.097799859e-03 6.00 -3.624316884e-03 -3.624316884e-03