# 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 = Co2MoW # 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 2.426585937e+02 2.426585937e+02 1.30 2.231659595e+02 2.231659595e+02 1.32 2.052294830e+02 2.052294830e+02 1.34 1.887116884e+02 1.887116884e+02 1.36 1.734851926e+02 1.734851926e+02 1.38 1.594337835e+02 1.594337835e+02 1.40 1.464537197e+02 1.464537197e+02 1.42 1.344539740e+02 1.344539740e+02 1.44 1.233548891e+02 1.233548891e+02 1.46 1.130860810e+02 1.130860810e+02 1.48 1.035847570e+02 1.035847570e+02 1.50 9.479466332e+01 9.479466332e+01 1.52 8.666518011e+01 8.666518011e+01 1.54 7.915038025e+01 7.915038025e+01 1.56 7.220821042e+01 7.220821042e+01 1.58 6.579980172e+01 6.579980172e+01 1.60 5.988879610e+01 5.988879610e+01 1.62 5.444069971e+01 5.444069971e+01 1.64 4.942238235e+01 4.942238235e+01 1.66 4.480184144e+01 4.480184144e+01 1.68 4.054826564e+01 4.054826564e+01 1.70 3.663227402e+01 3.663227402e+01 1.72 3.302611152e+01 3.302611152e+01 1.74 2.970370904e+01 2.970370904e+01 1.76 2.664118573e+01 2.664118573e+01 1.78 2.381655154e+01 2.381655154e+01 1.80 2.121152088e+01 2.121152088e+01 1.82 1.880830683e+01 1.880830683e+01 1.84 1.659227965e+01 1.659227965e+01 1.86 1.454972028e+01 1.454972028e+01 1.88 1.266828898e+01 1.266828898e+01 1.90 1.093715250e+01 1.093715250e+01 1.92 9.346539875e+00 9.346539875e+00 1.94 7.887358665e+00 7.887358665e+00 1.96 6.550944436e+00 6.550944436e+00 1.98 5.328948062e+00 5.328948062e+00 2.00 4.213312262e+00 4.213312262e+00 2.02 3.196274128e+00 3.196274128e+00 2.04 2.270346974e+00 2.270346974e+00 2.06 1.428273703e+00 1.428273703e+00 2.08 6.629831929e-01 6.629831929e-01 2.10 -3.240829018e-02 -3.240829018e-02 2.12 -6.645301291e-01 -6.645301291e-01 2.14 -1.239635908e+00 -1.239635908e+00 2.16 -1.763461486e+00 -1.763461486e+00 2.18 -2.241104567e+00 -2.241104567e+00 2.20 -2.676960730e+00 -2.676960730e+00 2.22 -3.074731944e+00 -3.074731944e+00 2.24 -3.437500194e+00 -3.437500194e+00 2.26 -3.767841463e+00 -3.767841463e+00 2.28 -4.067950637e+00 -4.067950637e+00 2.30 -4.339754070e+00 -4.339754070e+00 2.32 -4.584983660e+00 -4.584983660e+00 2.34 -4.805173364e+00 -4.805173364e+00 2.36 -5.001943747e+00 -5.001943747e+00 2.38 -5.176859463e+00 -5.176859463e+00 2.40 -5.331396666e+00 -5.331396666e+00 2.42 -5.466948475e+00 -5.466948475e+00 2.44 -5.584826733e+00 -5.584826733e+00 2.46 -5.686262205e+00 -5.686262205e+00 2.48 -5.772328878e+00 -5.772328878e+00 2.50 -5.843706813e+00 -5.843706813e+00 2.52 -5.900985842e+00 -5.900985842e+00 2.54 -5.944997906e+00 -5.944997906e+00 2.56 -5.976553991e+00 -5.976553991e+00 2.58 -5.996432578e+00 -5.996432578e+00 2.60 -6.005376182e+00 -6.005376182e+00 2.62 -6.004078481e+00 -6.004078481e+00 2.64 -5.993161321e+00 -5.993161321e+00 2.66 -5.973000652e+00 -5.973000652e+00 2.68 -5.943741287e+00 -5.943741287e+00 2.70 -5.905530476e+00 -5.905530476e+00 2.72 -5.858597259e+00 -5.858597259e+00 2.74 -5.803065822e+00 -5.803065822e+00 2.76 -5.739078225e+00 -5.739078225e+00 2.78 -5.666835476e+00 -5.666835476e+00 2.80 -5.586598101e+00 -5.586598101e+00 2.82 -5.498686841e+00 -5.498686841e+00 2.84 -5.403485298e+00 -5.403485298e+00 2.86 -5.301445336e+00 -5.301445336e+00 2.88 -5.193070187e+00 -5.193070187e+00 2.90 -5.078848620e+00 -5.078848620e+00 2.92 -4.959353244e+00 -4.959353244e+00 2.94 -4.835270135e+00 -4.835270135e+00 2.96 -4.707387207e+00 -4.707387207e+00 2.98 -4.576573094e+00 -4.576573094e+00 3.00 -4.443745799e+00 -4.443745799e+00 3.02 -4.309832418e+00 -4.309832418e+00 3.04 -4.175723229e+00 -4.175723229e+00 3.06 -4.042225160e+00 -4.042225160e+00 3.08 -3.910020613e+00 -3.910020613e+00 3.10 -3.779637318e+00 -3.779637318e+00 3.12 -3.651433184e+00 -3.651433184e+00 3.14 -3.525597306e+00 -3.525597306e+00 3.16 -3.402165411e+00 -3.402165411e+00 3.18 -3.281045981e+00 -3.281045981e+00 3.20 -3.162052518e+00 -3.162052518e+00 3.22 -3.044937876e+00 -3.044937876e+00 3.24 -2.929427614e+00 -2.929427614e+00 3.26 -2.815250504e+00 -2.815250504e+00 3.28 -2.702165252e+00 -2.702165252e+00 3.30 -2.589983027e+00 -2.589983027e+00 3.32 -2.478585603e+00 -2.478585603e+00 3.34 -2.367938879e+00 -2.367938879e+00 3.36 -2.258101376e+00 -2.258101376e+00 3.38 -2.149227191e+00 -2.149227191e+00 3.40 -2.041562897e+00 -2.041562897e+00 3.42 -1.935438083e+00 -1.935438083e+00 3.44 -1.831249708e+00 -1.831249708e+00 3.46 -1.729441043e+00 -1.729441043e+00 3.48 -1.630476700e+00 -1.630476700e+00 3.50 -1.534815810e+00 -1.534815810e+00 3.52 -1.442885790e+00 -1.442885790e+00 3.54 -1.355059077e+00 -1.355059077e+00 3.56 -1.271634866e+00 -1.271634866e+00 3.58 -1.192827157e+00 -1.192827157e+00 3.60 -1.118759596e+00 -1.118759596e+00 3.62 -1.049466754e+00 -1.049466754e+00 3.64 -9.849008201e-01 -9.849008201e-01 3.66 -9.249422790e-01 -9.249422790e-01 3.68 -8.694129861e-01 -8.694129861e-01 3.70 -8.180901595e-01 -8.180901595e-01 3.72 -7.707200548e-01 -7.707200548e-01 3.74 -7.270304282e-01 -7.270304282e-01 3.76 -6.867412404e-01 -6.867412404e-01 3.78 -6.495733557e-01 -6.495733557e-01 3.80 -6.152552288e-01 -6.152552288e-01 3.82 -5.835277304e-01 -5.835277304e-01 3.84 -5.541473563e-01 -5.541473563e-01 3.86 -5.268881020e-01 -5.268881020e-01 3.88 -5.015422841e-01 -5.015422841e-01 3.90 -4.779205678e-01 -4.779205678e-01 3.92 -4.558514243e-01 -4.558514243e-01 3.94 -4.351802055e-01 -4.351802055e-01 3.96 -4.157679847e-01 -4.157679847e-01 3.98 -3.974902833e-01 -3.974902833e-01 4.00 -3.802357734e-01 -3.802357734e-01 4.02 -3.639050263e-01 -3.639050263e-01 4.04 -3.484093598e-01 -3.484093598e-01 4.06 -3.336698205e-01 -3.336698205e-01 4.08 -3.196163287e-01 -3.196163287e-01 4.10 -3.061869982e-01 -3.061869982e-01 4.12 -2.933276336e-01 -2.933276336e-01 4.14 -2.809913857e-01 -2.809913857e-01 4.16 -2.691385333e-01 -2.691385333e-01 4.18 -2.577363326e-01 -2.577363326e-01 4.20 -2.467588518e-01 -2.467588518e-01 4.22 -2.361866984e-01 -2.361866984e-01 4.24 -2.260065368e-01 -2.260065368e-01 4.26 -2.162103191e-01 -2.162103191e-01 4.28 -2.067941907e-01 -2.067941907e-01 4.30 -1.977570991e-01 -1.977570991e-01 4.32 -1.890992124e-01 -1.890992124e-01 4.34 -1.808203077e-01 -1.808203077e-01 4.36 -1.729183208e-01 -1.729183208e-01 4.38 -1.653880074e-01 -1.653880074e-01 4.40 -1.582206512e-01 -1.582206512e-01 4.42 -1.514040723e-01 -1.514040723e-01 4.44 -1.449224251e-01 -1.449224251e-01 4.46 -1.387567976e-01 -1.387567976e-01 4.48 -1.328859877e-01 -1.328859877e-01 4.50 -1.272873220e-01 -1.272873220e-01 4.52 -1.219374141e-01 -1.219374141e-01 4.54 -1.168127999e-01 -1.168127999e-01 4.56 -1.118904253e-01 -1.118904253e-01 4.58 -1.071479894e-01 -1.071479894e-01 4.60 -1.025641691e-01 -1.025641691e-01 4.62 -9.811875617e-02 -9.811875617e-02 4.64 -9.379274447e-02 -9.379274447e-02 4.66 -8.956840145e-02 -8.956840145e-02 4.68 -8.542935343e-02 -8.542935343e-02 4.70 -8.136070929e-02 -8.136070929e-02 4.72 -7.734923976e-02 -7.734923976e-02 4.74 -7.338362172e-02 -7.338362172e-02 4.76 -6.945474764e-02 -6.945474764e-02 4.78 -6.555608906e-02 -6.555608906e-02 4.80 -6.168408996e-02 -6.168408996e-02 4.82 -5.783855216e-02 -5.783855216e-02 4.84 -5.402295959e-02 -5.402295959e-02 4.86 -5.024467997e-02 -5.024467997e-02 4.88 -4.651497809e-02 -4.651497809e-02 4.90 -4.284878031e-02 -4.284878031e-02 4.92 -3.926414715e-02 -3.926414715e-02 4.94 -3.578145093e-02 -3.578145093e-02 4.96 -3.242229380e-02 -3.242229380e-02 4.98 -2.920824025e-02 -2.920824025e-02 5.00 -2.615949339e-02 -2.615949339e-02 5.02 -2.329364933e-02 -2.329364933e-02 5.04 -2.062465714e-02 -2.062465714e-02 5.06 -1.816209284e-02 -1.816209284e-02 5.08 -1.591056121e-02 -1.591056121e-02 5.10 -1.387004533e-02 -1.387004533e-02 5.12 -1.203664163e-02 -1.203664163e-02 5.14 -1.040258608e-02 -1.040258608e-02 5.16 -8.957043873e-03 -8.957043873e-03 5.18 -7.686961990e-03 -7.686961990e-03 5.20 -6.577894020e-03 -6.577894020e-03 5.22 -5.614737702e-03 -5.614737702e-03 5.24 -4.782350025e-03 -4.782350025e-03 5.26 -4.066026468e-03 -4.066026468e-03 5.28 -3.451847390e-03 -3.451847390e-03 5.30 -2.926905308e-03 -2.926905308e-03 5.32 -2.479432421e-03 -2.479432421e-03 5.34 -2.098849520e-03 -2.098849520e-03 5.36 -1.775756420e-03 -1.775756420e-03 5.38 -1.501881689e-03 -1.501881689e-03 5.40 -1.270006260e-03 -1.270006260e-03 5.42 -1.073872398e-03 -1.073872398e-03 5.44 -9.080865069e-04 -9.080865069e-04 5.46 -7.680218263e-04 -7.680218263e-04 5.48 -6.497250192e-04 -6.497250192e-04 5.50 -5.498291387e-04 -5.498291387e-04 5.52 -4.654743036e-04 -4.654743036e-04 5.54 -3.942366112e-04 -3.942366112e-04 5.56 -3.340652658e-04 -3.340652658e-04 5.58 -2.832275515e-04 -2.832275515e-04 5.60 -2.402610728e-04 -2.402610728e-04 5.62 -2.039325836e-04 -2.039325836e-04 5.64 -1.732026888e-04 -1.732026888e-04 5.66 -1.471957154e-04 -1.471957154e-04 5.68 -1.251740904e-04 -1.251740904e-04 5.70 -1.065166129e-04 -1.065166129e-04 5.72 -9.070007453e-05 -9.070007453e-05 5.74 -7.728373926e-05 -7.728373926e-05 5.76 -6.589625907e-05 -6.589625907e-05 5.78 -5.622465486e-05 -5.622465486e-05 5.80 -4.800504539e-05 -4.800504539e-05 5.82 -4.101485171e-05 -4.101485171e-05 5.84 -3.506624515e-05 -3.506624515e-05 5.86 -3.000064203e-05 -3.000064203e-05 5.88 -2.568407843e-05 -2.568407843e-05 5.90 -2.200332426e-05 -2.200332426e-05 5.92 -1.886261828e-05 -1.886261828e-05 5.94 -1.618092410e-05 -1.618092410e-05 5.96 -1.388962357e-05 -1.388962357e-05 5.98 -1.193057713e-05 -1.193057713e-05 6.00 -1.025449209e-05 -1.025449209e-05