# 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 = CuMoNi2 # 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 1.394188616e+02 1.394188616e+02 1.30 1.279864546e+02 1.279864546e+02 1.32 1.174738802e+02 1.174738802e+02 1.34 1.077952653e+02 1.077952653e+02 1.36 9.887235500e+01 9.887235500e+01 1.38 9.063651849e+01 9.063651849e+01 1.40 8.302855056e+01 8.302855056e+01 1.42 7.599744570e+01 7.599744570e+01 1.44 6.949873624e+01 6.949873624e+01 1.46 6.349260630e+01 6.349260630e+01 1.48 5.794229006e+01 5.794229006e+01 1.50 5.281331459e+01 5.281331459e+01 1.52 4.807367670e+01 4.807367670e+01 1.54 4.369433998e+01 4.369433998e+01 1.56 3.964925634e+01 3.964925634e+01 1.58 3.591481493e+01 3.591481493e+01 1.60 3.246929526e+01 3.246929526e+01 1.62 2.929269708e+01 2.929269708e+01 1.64 2.636829245e+01 2.636829245e+01 1.66 2.368063451e+01 2.368063451e+01 1.68 2.121342152e+01 2.121342152e+01 1.70 1.895063262e+01 1.895063262e+01 1.72 1.687624677e+01 1.687624677e+01 1.74 1.497414667e+01 1.497414667e+01 1.76 1.322844488e+01 1.322844488e+01 1.78 1.162405202e+01 1.162405202e+01 1.80 1.014727816e+01 1.014727816e+01 1.82 8.786260416e+00 8.786260416e+00 1.84 7.531090258e+00 7.531090258e+00 1.86 6.373631551e+00 6.373631551e+00 1.88 5.307132822e+00 5.307132822e+00 1.90 4.325786898e+00 4.325786898e+00 1.92 3.424361183e+00 3.424361183e+00 1.94 2.597955679e+00 2.597955679e+00 1.96 1.841886489e+00 1.841886489e+00 1.98 1.151653244e+00 1.151653244e+00 2.00 5.229351492e-01 5.229351492e-01 2.02 -4.842412584e-02 -4.842412584e-02 2.04 -5.664501973e-01 -5.664501973e-01 2.06 -1.035072625e+00 -1.035072625e+00 2.08 -1.458137857e+00 -1.458137857e+00 2.10 -1.839388528e+00 -1.839388528e+00 2.12 -2.182412824e+00 -2.182412824e+00 2.14 -2.490580469e+00 -2.490580469e+00 2.16 -2.766987615e+00 -2.766987615e+00 2.18 -3.014429407e+00 -3.014429407e+00 2.20 -3.235407789e+00 -3.235407789e+00 2.22 -3.432168737e+00 -3.432168737e+00 2.24 -3.606754910e+00 -3.606754910e+00 2.26 -3.761060322e+00 -3.761060322e+00 2.28 -3.896879392e+00 -3.896879392e+00 2.30 -4.015834136e+00 -4.015834136e+00 2.32 -4.119589197e+00 -4.119589197e+00 2.34 -4.210013658e+00 -4.210013658e+00 2.36 -4.288809757e+00 -4.288809757e+00 2.38 -4.357453604e+00 -4.357453604e+00 2.40 -4.417146856e+00 -4.417146856e+00 2.42 -4.468804418e+00 -4.468804418e+00 2.44 -4.513018622e+00 -4.513018622e+00 2.46 -4.550000126e+00 -4.550000126e+00 2.48 -4.579881466e+00 -4.579881466e+00 2.50 -4.602804709e+00 -4.602804709e+00 2.52 -4.618935093e+00 -4.618935093e+00 2.54 -4.628471927e+00 -4.628471927e+00 2.56 -4.631646547e+00 -4.631646547e+00 2.58 -4.628717053e+00 -4.628717053e+00 2.60 -4.619964454e+00 -4.619964454e+00 2.62 -4.605898013e+00 -4.605898013e+00 2.64 -4.586793572e+00 -4.586793572e+00 2.66 -4.562606389e+00 -4.562606389e+00 2.68 -4.533200324e+00 -4.533200324e+00 2.70 -4.498541304e+00 -4.498541304e+00 2.72 -4.458703525e+00 -4.458703525e+00 2.74 -4.413849552e+00 -4.413849552e+00 2.76 -4.364217291e+00 -4.364217291e+00 2.78 -4.310118717e+00 -4.310118717e+00 2.80 -4.251874057e+00 -4.251874057e+00 2.82 -4.189783157e+00 -4.189783157e+00 2.84 -4.124119354e+00 -4.124119354e+00 2.86 -4.055134953e+00 -4.055134953e+00 2.88 -3.983074698e+00 -3.983074698e+00 2.90 -3.908191862e+00 -3.908191862e+00 2.92 -3.830761843e+00 -3.830761843e+00 2.94 -3.751089719e+00 -3.751089719e+00 2.96 -3.669510186e+00 -3.669510186e+00 2.98 -3.586380169e+00 -3.586380169e+00 3.00 -3.502065752e+00 -3.502065752e+00 3.02 -3.416925888e+00 -3.416925888e+00 3.04 -3.331295646e+00 -3.331295646e+00 3.06 -3.245471516e+00 -3.245471516e+00 3.08 -3.159700657e+00 -3.159700657e+00 3.10 -3.074175095e+00 -3.074175095e+00 3.12 -2.989030993e+00 -2.989030993e+00 3.14 -2.904352385e+00 -2.904352385e+00 3.16 -2.820178341e+00 -2.820178341e+00 3.18 -2.736512389e+00 -2.736512389e+00 3.20 -2.653333170e+00 -2.653333170e+00 3.22 -2.570605478e+00 -2.570605478e+00 3.24 -2.488291143e+00 -2.488291143e+00 3.26 -2.406359346e+00 -2.406359346e+00 3.28 -2.324796060e+00 -2.324796060e+00 3.30 -2.243612298e+00 -2.243612298e+00 3.32 -2.162850803e+00 -2.162850803e+00 3.34 -2.082590710e+00 -2.082590710e+00 3.36 -2.002949748e+00 -2.002949748e+00 3.38 -1.924083554e+00 -1.924083554e+00 3.40 -1.846181887e+00 -1.846181887e+00 3.42 -1.769461766e+00 -1.769461766e+00 3.44 -1.694157922e+00 -1.694157922e+00 3.46 -1.620511252e+00 -1.620511252e+00 3.48 -1.548756310e+00 -1.548756310e+00 3.50 -1.479108969e+00 -1.479108969e+00 3.52 -1.411755416e+00 -1.411755416e+00 3.54 -1.346843448e+00 -1.346843448e+00 3.56 -1.284476758e+00 -1.284476758e+00 3.58 -1.224712474e+00 -1.224712474e+00 3.60 -1.167561906e+00 -1.167561906e+00 3.62 -1.112994121e+00 -1.112994121e+00 3.64 -1.060941759e+00 -1.060941759e+00 3.66 -1.011308461e+00 -1.011308461e+00 3.68 -9.639772257e-01 -9.639772257e-01 3.70 -9.188190957e-01 -9.188190957e-01 3.72 -8.757016480e-01 -8.757016480e-01 3.74 -8.344968039e-01 -8.344968039e-01 3.76 -7.950875342e-01 -7.950875342e-01 3.78 -7.573730501e-01 -7.573730501e-01 3.80 -7.212721085e-01 -7.212721085e-01 3.82 -6.867241402e-01 -6.867241402e-01 3.84 -6.536880646e-01 -6.536880646e-01 3.86 -6.221388889e-01 -6.221388889e-01 3.88 -5.920624912e-01 -5.920624912e-01 3.90 -5.634492704e-01 -5.634492704e-01 3.92 -5.362875538e-01 -5.362875538e-01 3.94 -5.105576913e-01 -5.105576913e-01 3.96 -4.862276161e-01 -4.862276161e-01 3.98 -4.632503478e-01 -4.632503478e-01 4.00 -4.415635314e-01 -4.415635314e-01 4.02 -4.210907578e-01 -4.210907578e-01 4.04 -4.017441752e-01 -4.017441752e-01 4.06 -3.834278066e-01 -3.834278066e-01 4.08 -3.660410366e-01 -3.660410366e-01 4.10 -3.494818589e-01 -3.494818589e-01 4.12 -3.336496432e-01 -3.336496432e-01 4.14 -3.184473332e-01 -3.184473332e-01 4.16 -3.037831113e-01 -3.037831113e-01 4.18 -2.895716326e-01 -2.895716326e-01 4.20 -2.757349734e-01 -2.757349734e-01 4.22 -2.622034323e-01 -2.622034323e-01 4.24 -2.489163059e-01 -2.489163059e-01 4.26 -2.358227190e-01 -2.358227190e-01 4.28 -2.228825470e-01 -2.228825470e-01 4.30 -2.100674077e-01 -2.100674077e-01 4.32 -1.973616492e-01 -1.973616492e-01 4.34 -1.847632035e-01 -1.847632035e-01 4.36 -1.722841323e-01 -1.722841323e-01 4.38 -1.599506668e-01 -1.599506668e-01 4.40 -1.478025492e-01 -1.478025492e-01 4.42 -1.358915267e-01 -1.358915267e-01 4.44 -1.242789324e-01 -1.242789324e-01 4.46 -1.130324078e-01 -1.130324078e-01 4.48 -1.022219570e-01 -1.022219570e-01 4.50 -9.191564825e-02 -9.191564825e-02 4.52 -8.217536668e-02 -8.217536668e-02 4.54 -7.305304049e-02 -7.305304049e-02 4.56 -6.458771981e-02 -6.458771981e-02 4.58 -5.680376396e-02 -5.680376396e-02 4.60 -4.971024340e-02 -4.971024340e-02 4.62 -4.330134505e-02 -4.330134505e-02 4.64 -3.755785909e-02 -3.755785909e-02 4.66 -3.245011745e-02 -3.245011745e-02 4.68 -2.793982495e-02 -2.793982495e-02 4.70 -2.398269160e-02 -2.398269160e-02 4.72 -2.053093397e-02 -2.053093397e-02 4.74 -1.753504039e-02 -1.753504039e-02 4.76 -1.494664225e-02 -1.494664225e-02 4.78 -1.271937758e-02 -1.271937758e-02 4.80 -1.080951773e-02 -1.080951773e-02 4.82 -9.176655224e-03 -9.176655224e-03 4.84 -7.784067068e-03 -7.784067068e-03 4.86 -6.598830506e-03 -6.598830506e-03 4.88 -5.591759550e-03 -5.591759550e-03 4.90 -4.737220577e-03 -4.737220577e-03 4.92 -4.012873256e-03 -4.012873256e-03 4.94 -3.399372014e-03 -3.399372014e-03 4.96 -2.880053590e-03 -2.880053590e-03 4.98 -2.440628297e-03 -2.440628297e-03 5.00 -2.068886447e-03 -2.068886447e-03 5.02 -1.754426700e-03 -1.754426700e-03 5.04 -1.488409779e-03 -1.488409779e-03 5.06 -1.263338622e-03 -1.263338622e-03 5.08 -1.072864515e-03 -1.072864515e-03 5.10 -9.116177766e-04 -9.116177766e-04 5.12 -7.750610221e-04 -7.750610221e-04 5.14 -6.593627940e-04 -6.593627940e-04 5.16 -5.612892719e-04 -5.612892719e-04 5.18 -4.781118603e-04 -4.781118603e-04 5.20 -4.075285831e-04 -4.075285831e-04 5.22 -3.475974022e-04 -3.475974022e-04 5.24 -2.966797723e-04 -2.966797723e-04 5.26 -2.533929417e-04 -2.533929417e-04 5.28 -2.165696966e-04 -2.165696966e-04 5.30 -1.852244236e-04 -1.852244236e-04 5.32 -1.585245188e-04 -1.585245188e-04 5.34 -1.357663153e-04 -1.357663153e-04 5.36 -1.163548215e-04 -1.163548215e-04 5.38 -9.978667043e-05 -9.978667043e-05 5.40 -8.563577205e-05 -8.563577205e-05 5.42 -7.354123897e-05 -7.354123897e-05 5.44 -6.319722433e-05 -6.319722433e-05 5.46 -5.434436664e-05 -5.434436664e-05 5.48 -4.676258515e-05 -4.676258515e-05 5.50 -4.026501049e-05 -4.026501049e-05 5.52 -3.469286945e-05 -3.469286945e-05 5.54 -2.991117184e-05 -2.991117184e-05 5.56 -2.580507195e-05 -2.580507195e-05 5.58 -2.227679732e-05 -2.227679732e-05 5.60 -1.924305506e-05 -1.924305506e-05 5.62 -1.663284010e-05 -1.663284010e-05 5.64 -1.438558203e-05 -1.438558203e-05 5.66 -1.244957722e-05 -1.244957722e-05 5.68 -1.078066151e-05 -1.078066151e-05 5.70 -9.341085813e-06 -9.341085813e-06 5.72 -8.098563060e-06 -8.098563060e-06 5.74 -7.025459751e-06 -7.025459751e-06 5.76 -6.098109827e-06 -6.098109827e-06 5.78 -5.296231917e-06 -5.296231917e-06 5.80 -4.602434084e-06 -4.602434084e-06 5.82 -4.001792641e-06 -4.001792641e-06 5.84 -3.481493744e-06 -3.481493744e-06 5.86 -3.030528184e-06 -3.030528184e-06 5.88 -2.639431328e-06 -2.639431328e-06 5.90 -2.300061380e-06 -2.300061380e-06 5.92 -2.005410187e-06 -2.005410187e-06 5.94 -1.749441725e-06 -1.749441725e-06 5.96 -1.526954107e-06 -1.526954107e-06 5.98 -1.333461630e-06 -1.333461630e-06 6.00 -1.165093880e-06 -1.165093880e-06