# 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 = Co2CuPb # 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 1.930225874e+02 1.930225874e+02 1.30 1.786396438e+02 1.786396438e+02 1.32 1.653399855e+02 1.653399855e+02 1.34 1.530353864e+02 1.530353864e+02 1.36 1.416444176e+02 1.416444176e+02 1.38 1.310925298e+02 1.310925298e+02 1.40 1.213121530e+02 1.213121530e+02 1.42 1.122425006e+02 1.122425006e+02 1.44 1.038287151e+02 1.038287151e+02 1.46 9.602071826e+01 9.602071826e+01 1.48 8.877235910e+01 8.877235910e+01 1.50 8.204095639e+01 8.204095639e+01 1.52 7.578709518e+01 7.578709518e+01 1.54 6.997448397e+01 6.997448397e+01 1.56 6.456974853e+01 6.456974853e+01 1.58 5.954219956e+01 5.954219956e+01 1.60 5.486368814e+01 5.486368814e+01 1.62 5.050869635e+01 5.050869635e+01 1.64 4.645849766e+01 4.645849766e+01 1.66 4.269821358e+01 4.269821358e+01 1.68 3.920822971e+01 3.920822971e+01 1.70 3.597038075e+01 3.597038075e+01 1.72 3.296765135e+01 3.296765135e+01 1.74 3.018378615e+01 3.018378615e+01 1.76 2.760305794e+01 2.760305794e+01 1.78 2.521030373e+01 2.521030373e+01 1.80 2.299119858e+01 2.299119858e+01 1.82 2.093257685e+01 2.093257685e+01 1.84 1.902257748e+01 1.902257748e+01 1.86 1.725056186e+01 1.725056186e+01 1.88 1.560689984e+01 1.560689984e+01 1.90 1.408272748e+01 1.408272748e+01 1.92 1.266976930e+01 1.266976930e+01 1.94 1.136025751e+01 1.136025751e+01 1.96 1.014692421e+01 1.014692421e+01 1.98 9.023020813e+00 9.023020813e+00 2.00 7.982310360e+00 7.982310360e+00 2.02 7.019028183e+00 7.019028183e+00 2.04 6.127830684e+00 6.127830684e+00 2.06 5.303752525e+00 5.303752525e+00 2.08 4.542175027e+00 4.542175027e+00 2.10 3.838805094e+00 3.838805094e+00 2.12 3.189655716e+00 3.189655716e+00 2.14 2.591025707e+00 2.591025707e+00 2.16 2.039482227e+00 2.039482227e+00 2.18 1.531845130e+00 1.531845130e+00 2.20 1.065167990e+00 1.065167990e+00 2.22 6.367133645e-01 6.367133645e-01 2.24 2.439186160e-01 2.439186160e-01 2.26 -1.156415276e-01 -1.156415276e-01 2.28 -4.442911517e-01 -4.442911517e-01 2.30 -7.442694727e-01 -7.442694727e-01 2.32 -1.017739924e+00 -1.017739924e+00 2.34 -1.266769600e+00 -1.266769600e+00 2.36 -1.493305993e+00 -1.493305993e+00 2.38 -1.699148621e+00 -1.699148621e+00 2.40 -1.885932163e+00 -1.885932163e+00 2.42 -2.055126305e+00 -2.055126305e+00 2.44 -2.208126972e+00 -2.208126972e+00 2.46 -2.346101754e+00 -2.346101754e+00 2.48 -2.470036772e+00 -2.470036772e+00 2.50 -2.580854967e+00 -2.580854967e+00 2.52 -2.679425125e+00 -2.679425125e+00 2.54 -2.766570490e+00 -2.766570490e+00 2.56 -2.843078316e+00 -2.843078316e+00 2.58 -2.909733428e+00 -2.909733428e+00 2.60 -2.967473789e+00 -2.967473789e+00 2.62 -3.016707632e+00 -3.016707632e+00 2.64 -3.057752036e+00 -3.057752036e+00 2.66 -3.090965065e+00 -3.090965065e+00 2.68 -3.116732435e+00 -3.116732435e+00 2.70 -3.135456734e+00 -3.135456734e+00 2.72 -3.147550906e+00 -3.147550906e+00 2.74 -3.153437103e+00 -3.153437103e+00 2.76 -3.153559149e+00 -3.153559149e+00 2.78 -3.148347175e+00 -3.148347175e+00 2.80 -3.138201211e+00 -3.138201211e+00 2.82 -3.123485955e+00 -3.123485955e+00 2.84 -3.104532434e+00 -3.104532434e+00 2.86 -3.081641900e+00 -3.081641900e+00 2.88 -3.055092449e+00 -3.055092449e+00 2.90 -3.025146715e+00 -3.025146715e+00 2.92 -2.992059558e+00 -2.992059558e+00 2.94 -2.956085149e+00 -2.956085149e+00 2.96 -2.917482996e+00 -2.917482996e+00 2.98 -2.876522774e+00 -2.876522774e+00 3.00 -2.833519191e+00 -2.833519191e+00 3.02 -2.788753212e+00 -2.788753212e+00 3.04 -2.742483579e+00 -2.742483579e+00 3.06 -2.694977021e+00 -2.694977021e+00 3.08 -2.646491025e+00 -2.646491025e+00 3.10 -2.597265188e+00 -2.597265188e+00 3.12 -2.547511347e+00 -2.547511347e+00 3.14 -2.497412900e+00 -2.497412900e+00 3.16 -2.447116314e+00 -2.447116314e+00 3.18 -2.396735240e+00 -2.396735240e+00 3.20 -2.346364653e+00 -2.346364653e+00 3.22 -2.296085601e+00 -2.296085601e+00 3.24 -2.245967856e+00 -2.245967856e+00 3.26 -2.196071665e+00 -2.196071665e+00 3.28 -2.146449054e+00 -2.146449054e+00 3.30 -2.097145112e+00 -2.097145112e+00 3.32 -2.048199423e+00 -2.048199423e+00 3.34 -1.999647574e+00 -1.999647574e+00 3.36 -1.951522539e+00 -1.951522539e+00 3.38 -1.903855727e+00 -1.903855727e+00 3.40 -1.856677368e+00 -1.856677368e+00 3.42 -1.810017423e+00 -1.810017423e+00 3.44 -1.763903989e+00 -1.763903989e+00 3.46 -1.718363612e+00 -1.718363612e+00 3.48 -1.673420316e+00 -1.673420316e+00 3.50 -1.629094883e+00 -1.629094883e+00 3.52 -1.585404254e+00 -1.585404254e+00 3.54 -1.542361146e+00 -1.542361146e+00 3.56 -1.499973950e+00 -1.499973950e+00 3.58 -1.458246948e+00 -1.458246948e+00 3.60 -1.417180871e+00 -1.417180871e+00 3.62 -1.376773788e+00 -1.376773788e+00 3.64 -1.337022292e+00 -1.337022292e+00 3.66 -1.297922908e+00 -1.297922908e+00 3.68 -1.259473621e+00 -1.259473621e+00 3.70 -1.221675377e+00 -1.221675377e+00 3.72 -1.184533408e+00 -1.184533408e+00 3.74 -1.148058203e+00 -1.148058203e+00 3.76 -1.112265997e+00 -1.112265997e+00 3.78 -1.077178669e+00 -1.077178669e+00 3.80 -1.042822982e+00 -1.042822982e+00 3.82 -1.009229192e+00 -1.009229192e+00 3.84 -9.764290981e-01 -9.764290981e-01 3.86 -9.444536933e-01 -9.444536933e-01 3.88 -9.133306489e-01 -9.133306489e-01 3.90 -8.830819123e-01 -8.830819123e-01 3.92 -8.537213567e-01 -8.537213567e-01 3.94 -8.252548460e-01 -8.252548460e-01 3.96 -7.976773510e-01 -7.976773510e-01 3.98 -7.709747148e-01 -7.709747148e-01 4.00 -7.451240728e-01 -7.451240728e-01 4.02 -7.200952000e-01 -7.200952000e-01 4.04 -6.958521595e-01 -6.958521595e-01 4.06 -6.723550638e-01 -6.723550638e-01 4.08 -6.495618112e-01 -6.495618112e-01 4.10 -6.274287323e-01 -6.274287323e-01 4.12 -6.059161512e-01 -6.059161512e-01 4.14 -5.849832738e-01 -5.849832738e-01 4.16 -5.645938738e-01 -5.645938738e-01 4.18 -5.447161156e-01 -5.447161156e-01 4.20 -5.253234035e-01 -5.253234035e-01 4.22 -5.063950162e-01 -5.063950162e-01 4.24 -4.879164694e-01 -4.879164694e-01 4.26 -4.698795445e-01 -4.698795445e-01 4.28 -4.522819484e-01 -4.522819484e-01 4.30 -4.351266082e-01 -4.351266082e-01 4.32 -4.184206601e-01 -4.184206601e-01 4.34 -4.021742380e-01 -4.021742380e-01 4.36 -3.863991905e-01 -3.863991905e-01 4.38 -3.711078477e-01 -3.711078477e-01 4.40 -3.563119186e-01 -3.563119186e-01 4.42 -3.420215555e-01 -3.420215555e-01 4.44 -3.282445765e-01 -3.282445765e-01 4.46 -3.149858206e-01 -3.149858206e-01 4.48 -3.022466161e-01 -3.022466161e-01 4.50 -2.900243618e-01 -2.900243618e-01 4.52 -2.783122466e-01 -2.783122466e-01 4.54 -2.670991395e-01 -2.670991395e-01 4.56 -2.563696806e-01 -2.563696806e-01 4.58 -2.461045822e-01 -2.461045822e-01 4.60 -2.362811235e-01 -2.362811235e-01 4.62 -2.268738024e-01 -2.268738024e-01 4.64 -2.178550919e-01 -2.178550919e-01 4.66 -2.091962474e-01 -2.091962474e-01 4.68 -2.008681187e-01 -2.008681187e-01 4.70 -1.928419311e-01 -1.928419311e-01 4.72 -1.850900170e-01 -1.850900170e-01 4.74 -1.775864885e-01 -1.775864885e-01 4.76 -1.703078512e-01 -1.703078512e-01 4.78 -1.632335574e-01 -1.632335574e-01 4.80 -1.563457175e-01 -1.563457175e-01 4.82 -1.496327406e-01 -1.496327406e-01 4.84 -1.430845852e-01 -1.430845852e-01 4.86 -1.366964428e-01 -1.366964428e-01 4.88 -1.304677884e-01 -1.304677884e-01 4.90 -1.244021310e-01 -1.244021310e-01 4.92 -1.185065148e-01 -1.185065148e-01 4.94 -1.127907667e-01 -1.127907667e-01 4.96 -1.072665265e-01 -1.072665265e-01 4.98 -1.019461262e-01 -1.019461262e-01 5.00 -9.684141812e-02 -9.684141812e-02 5.02 -9.196267383e-02 -9.196267383e-02 5.04 -8.731766478e-02 -8.731766478e-02 5.06 -8.291101333e-02 -8.291101333e-02 5.08 -7.874350007e-02 -7.874350007e-02 5.10 -7.481254048e-02 -7.481254048e-02 5.12 -7.111303475e-02 -7.111303475e-02 5.14 -6.763699539e-02 -6.763699539e-02 5.16 -6.437420936e-02 -6.437420936e-02 5.18 -6.131295022e-02 -6.131295022e-02 5.20 -5.844065414e-02 -5.844065414e-02 5.22 -5.574450764e-02 -5.574450764e-02 5.24 -5.321191527e-02 -5.321191527e-02 5.26 -5.083083716e-02 -5.083083716e-02 5.28 -4.859000198e-02 -4.859000198e-02 5.30 -4.647900535e-02 -4.647900535e-02 5.32 -4.448824224e-02 -4.448824224e-02 5.34 -4.260907116e-02 -4.260907116e-02 5.36 -4.083364667e-02 -4.083364667e-02 5.38 -3.915476561e-02 -3.915476561e-02 5.40 -3.756576620e-02 -3.756576620e-02 5.42 -3.606043485e-02 -3.606043485e-02 5.44 -3.463292791e-02 -3.463292791e-02 5.46 -3.327771146e-02 -3.327771146e-02 5.48 -3.198951898e-02 -3.198951898e-02 5.50 -3.076332499e-02 -3.076332499e-02 5.52 -2.959433118e-02 -2.959433118e-02 5.54 -2.847796156e-02 -2.847796156e-02 5.56 -2.740986298e-02 -2.740986298e-02 5.58 -2.638590839e-02 -2.638590839e-02 5.60 -2.540220053e-02 -2.540220053e-02 5.62 -2.445507493e-02 -2.445507493e-02 5.64 -2.354110119e-02 -2.354110119e-02 5.66 -2.265708297e-02 -2.265708297e-02 5.68 -2.180005660e-02 -2.180005660e-02 5.70 -2.096728903e-02 -2.096728903e-02 5.72 -2.015627555e-02 -2.015627555e-02 5.74 -1.936473816e-02 -1.936473816e-02 5.76 -1.859062501e-02 -1.859062501e-02 5.78 -1.783211124e-02 -1.783211124e-02 5.80 -1.708760166e-02 -1.708760166e-02 5.82 -1.635573505e-02 -1.635573505e-02 5.84 -1.563538995e-02 -1.563538995e-02 5.86 -1.492569142e-02 -1.492569142e-02 5.88 -1.422601793e-02 -1.422601793e-02 5.90 -1.353600752e-02 -1.353600752e-02 5.92 -1.285556187e-02 -1.285556187e-02 5.94 -1.218483636e-02 -1.218483636e-02 5.96 -1.152419763e-02 -1.152419763e-02 5.98 -1.087432714e-02 -1.087432714e-02 6.00 -1.023615060e-02 -1.023615060e-02