# 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 = AlPdTa2 # 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 3.071471794e+02 3.071471794e+02 1.30 2.856769679e+02 2.856769679e+02 1.32 2.657649404e+02 2.657649404e+02 1.34 2.472895454e+02 2.472895454e+02 1.36 2.301335014e+02 2.301335014e+02 1.38 2.141856731e+02 2.141856731e+02 1.40 1.993438978e+02 1.993438978e+02 1.42 1.855169429e+02 1.855169429e+02 1.44 1.726248443e+02 1.726248443e+02 1.46 1.605977486e+02 1.605977486e+02 1.48 1.493739043e+02 1.493739043e+02 1.50 1.388976484e+02 1.388976484e+02 1.52 1.291178741e+02 1.291178741e+02 1.54 1.199869198e+02 1.199869198e+02 1.56 1.114597670e+02 1.114597670e+02 1.58 1.034936533e+02 1.034936533e+02 1.60 9.604816048e+01 9.604816048e+01 1.62 8.908557419e+01 8.908557419e+01 1.64 8.257120193e+01 8.257120193e+01 1.66 7.647345422e+01 7.647345422e+01 1.68 7.076366533e+01 7.076366533e+01 1.70 6.541571868e+01 6.541571868e+01 1.72 6.040555909e+01 6.040555909e+01 1.74 5.571069939e+01 5.571069939e+01 1.76 5.130984658e+01 5.130984658e+01 1.78 4.718272222e+01 4.718272222e+01 1.80 4.331005890e+01 4.331005890e+01 1.82 3.967455941e+01 3.967455941e+01 1.84 3.626658954e+01 3.626658954e+01 1.86 3.307178185e+01 3.307178185e+01 1.88 3.007555845e+01 3.007555845e+01 1.90 2.726558501e+01 2.726558501e+01 1.92 2.464284271e+01 2.464284271e+01 1.94 2.220318089e+01 2.220318089e+01 1.96 1.993720615e+01 1.993720615e+01 1.98 1.783589861e+01 1.783589861e+01 2.00 1.589038722e+01 1.589038722e+01 2.02 1.409166219e+01 1.409166219e+01 2.04 1.243048583e+01 1.243048583e+01 2.06 1.089748108e+01 1.089748108e+01 2.08 9.483332644e+00 9.483332644e+00 2.10 8.179022786e+00 8.179022786e+00 2.12 6.976037142e+00 6.976037142e+00 2.14 5.866503118e+00 5.866503118e+00 2.16 4.843252487e+00 4.843252487e+00 2.18 3.899819127e+00 3.899819127e+00 2.20 3.030390250e+00 3.030390250e+00 2.22 2.229728239e+00 2.229728239e+00 2.24 1.493076411e+00 1.493076411e+00 2.26 8.160595062e-01 8.160595062e-01 2.28 1.945892757e-01 1.945892757e-01 2.30 -3.752141765e-01 -3.752141765e-01 2.32 -8.970756218e-01 -8.970756218e-01 2.34 -1.374586105e+00 -1.374586105e+00 2.36 -1.811192493e+00 -1.811192493e+00 2.38 -2.210162796e+00 -2.210162796e+00 2.40 -2.574541743e+00 -2.574541743e+00 2.42 -2.907113432e+00 -2.907113432e+00 2.44 -3.210384288e+00 -3.210384288e+00 2.46 -3.486591347e+00 -3.486591347e+00 2.48 -3.737731598e+00 -3.737731598e+00 2.50 -3.965602366e+00 -3.965602366e+00 2.52 -4.171706220e+00 -4.171706220e+00 2.54 -4.357516123e+00 -4.357516123e+00 2.56 -4.524687040e+00 -4.524687040e+00 2.58 -4.674748813e+00 -4.674748813e+00 2.60 -4.809123535e+00 -4.809123535e+00 2.62 -4.929131522e+00 -4.929131522e+00 2.64 -5.035984071e+00 -5.035984071e+00 2.66 -5.130768451e+00 -5.130768451e+00 2.68 -5.214296842e+00 -5.214296842e+00 2.70 -5.286970970e+00 -5.286970970e+00 2.72 -5.349137502e+00 -5.349137502e+00 2.74 -5.401131703e+00 -5.401131703e+00 2.76 -5.443273369e+00 -5.443273369e+00 2.78 -5.475868706e+00 -5.475868706e+00 2.80 -5.499214966e+00 -5.499214966e+00 2.82 -5.513605972e+00 -5.513605972e+00 2.84 -5.519337716e+00 -5.519337716e+00 2.86 -5.516713522e+00 -5.516713522e+00 2.88 -5.506048251e+00 -5.506048251e+00 2.90 -5.487670932e+00 -5.487670932e+00 2.92 -5.461925203e+00 -5.461925203e+00 2.94 -5.429167310e+00 -5.429167310e+00 2.96 -5.389761954e+00 -5.389761954e+00 2.98 -5.344076832e+00 -5.344076832e+00 3.00 -5.292567817e+00 -5.292567817e+00 3.02 -5.236077215e+00 -5.236077215e+00 3.04 -5.175287028e+00 -5.175287028e+00 3.06 -5.110181663e+00 -5.110181663e+00 3.08 -5.040765156e+00 -5.040765156e+00 3.10 -4.967077441e+00 -4.967077441e+00 3.12 -4.889191935e+00 -4.889191935e+00 3.14 -4.807215821e+00 -4.807215821e+00 3.16 -4.721293064e+00 -4.721293064e+00 3.18 -4.631610577e+00 -4.631610577e+00 3.20 -4.538424544e+00 -4.538424544e+00 3.22 -4.442073270e+00 -4.442073270e+00 3.24 -4.342949570e+00 -4.342949570e+00 3.26 -4.241500495e+00 -4.241500495e+00 3.28 -4.138223728e+00 -4.138223728e+00 3.30 -4.033657132e+00 -4.033657132e+00 3.32 -3.928361694e+00 -3.928361694e+00 3.34 -3.822899252e+00 -3.822899252e+00 3.36 -3.717807393e+00 -3.717807393e+00 3.38 -3.613574472e+00 -3.613574472e+00 3.40 -3.510617746e+00 -3.510617746e+00 3.42 -3.409267066e+00 -3.409267066e+00 3.44 -3.309755613e+00 -3.309755613e+00 3.46 -3.212218071e+00 -3.212218071e+00 3.48 -3.116695574e+00 -3.116695574e+00 3.50 -3.023146090e+00 -3.023146090e+00 3.52 -2.931458520e+00 -2.931458520e+00 3.54 -2.841468864e+00 -2.841468864e+00 3.56 -2.752977032e+00 -2.752977032e+00 3.58 -2.665763301e+00 -2.665763301e+00 3.60 -2.579603792e+00 -2.579603792e+00 3.62 -2.494284681e+00 -2.494284681e+00 3.64 -2.409615017e+00 -2.409615017e+00 3.66 -2.325438137e+00 -2.325438137e+00 3.68 -2.241641558e+00 -2.241641558e+00 3.70 -2.158165172e+00 -2.158165172e+00 3.72 -2.075007365e+00 -2.075007365e+00 3.74 -1.992228608e+00 -1.992228608e+00 3.76 -1.909951979e+00 -1.909951979e+00 3.78 -1.828360166e+00 -1.828360166e+00 3.80 -1.747688705e+00 -1.747688705e+00 3.82 -1.668215522e+00 -1.668215522e+00 3.84 -1.590247271e+00 -1.590247271e+00 3.86 -1.514103393e+00 -1.514103393e+00 3.88 -1.440099148e+00 -1.440099148e+00 3.90 -1.368529073e+00 -1.368529073e+00 3.92 -1.299652303e+00 -1.299652303e+00 3.94 -1.233680974e+00 -1.233680974e+00 3.96 -1.170772470e+00 -1.170772470e+00 3.98 -1.111025903e+00 -1.111025903e+00 4.00 -1.054482611e+00 -1.054482611e+00 4.02 -1.001130116e+00 -1.001130116e+00 4.04 -9.509087073e-01 -9.509087073e-01 4.06 -9.037196605e-01 -9.037196605e-01 4.08 -8.594341636e-01 -8.594341636e-01 4.10 -8.179021129e-01 -8.179021129e-01 4.12 -7.789602530e-01 -7.789602530e-01 4.14 -7.424390787e-01 -7.424390787e-01 4.16 -7.081686091e-01 -7.081686091e-01 4.18 -6.759828285e-01 -6.759828285e-01 4.20 -6.457229931e-01 -6.457229931e-01 4.22 -6.172399465e-01 -6.172399465e-01 4.24 -5.903955882e-01 -5.903955882e-01 4.26 -5.650636092e-01 -5.650636092e-01 4.28 -5.411295677e-01 -5.411295677e-01 4.30 -5.184903618e-01 -5.184903618e-01 4.32 -4.970531730e-01 -4.970531730e-01 4.34 -4.767339866e-01 -4.767339866e-01 4.36 -4.574558500e-01 -4.574558500e-01 4.38 -4.391470576e-01 -4.391470576e-01 4.40 -4.217394455e-01 -4.217394455e-01 4.42 -4.051669776e-01 -4.051669776e-01 4.44 -3.893647616e-01 -3.893647616e-01 4.46 -3.742685209e-01 -3.742685209e-01 4.48 -3.598144611e-01 -3.598144611e-01 4.50 -3.459393557e-01 -3.459393557e-01 4.52 -3.325817809e-01 -3.325817809e-01 4.54 -3.196823608e-01 -3.196823608e-01 4.56 -3.071845121e-01 -3.071845121e-01 4.58 -2.950353033e-01 -2.950353033e-01 4.60 -2.831862263e-01 -2.831862263e-01 4.62 -2.715938554e-01 -2.715938554e-01 4.64 -2.602203825e-01 -2.602203825e-01 4.66 -2.490338976e-01 -2.490338976e-01 4.68 -2.380088894e-01 -2.380088894e-01 4.70 -2.271261775e-01 -2.271261775e-01 4.72 -2.163727179e-01 -2.163727179e-01 4.74 -2.057413525e-01 -2.057413525e-01 4.76 -1.952304164e-01 -1.952304164e-01 4.78 -1.848432471e-01 -1.848432471e-01 4.80 -1.745876411e-01 -1.745876411e-01 4.82 -1.644753464e-01 -1.644753464e-01 4.84 -1.545215417e-01 -1.545215417e-01 4.86 -1.447444482e-01 -1.447444482e-01 4.88 -1.351649699e-01 -1.351649699e-01 4.90 -1.258063656e-01 -1.258063656e-01 4.92 -1.166938878e-01 -1.166938878e-01 4.94 -1.078543218e-01 -1.078543218e-01 4.96 -9.931537033e-02 -9.931537033e-02 4.98 -9.110485500e-02 -9.110485500e-02 5.00 -8.324974550e-02 -8.324974550e-02 5.02 -7.577506872e-02 -7.577506872e-02 5.04 -6.870278462e-02 -6.870278462e-02 5.06 -6.205073489e-02 -6.205073489e-02 5.08 -5.583177042e-02 -5.583177042e-02 5.10 -5.005314589e-02 -5.005314589e-02 5.12 -4.471623143e-02 -4.471623143e-02 5.14 -3.981655236e-02 -3.981655236e-02 5.16 -3.534415508e-02 -3.534415508e-02 5.18 -3.128421784e-02 -3.128421784e-02 5.20 -2.761785355e-02 -2.761785355e-02 5.22 -2.432299064e-02 -2.432299064e-02 5.24 -2.137528859e-02 -2.137528859e-02 5.26 -1.874902225e-02 -1.874902225e-02 5.28 -1.641773879e-02 -1.641773879e-02 5.30 -1.435493895e-02 -1.435493895e-02 5.32 -1.253535658e-02 -1.253535658e-02 5.34 -1.093471211e-02 -1.093471211e-02 5.36 -9.530022625e-03 -9.530022625e-03 5.38 -8.299840697e-03 -8.299840697e-03 5.40 -7.224389303e-03 -7.224389303e-03 5.42 -6.285614304e-03 -6.285614304e-03 5.44 -5.467174164e-03 -5.467174164e-03 5.46 -4.754384116e-03 -4.754384116e-03 5.48 -4.134129161e-03 -4.134129161e-03 5.50 -3.594757471e-03 -3.594757471e-03 5.52 -3.125963206e-03 -3.125963206e-03 5.54 -2.718665509e-03 -2.718665509e-03 5.56 -2.364888584e-03 -2.364888584e-03 5.58 -2.057646239e-03 -2.057646239e-03 5.60 -1.790833096e-03 -1.790833096e-03 5.62 -1.559123769e-03 -1.559123769e-03 5.64 -1.357880617e-03 -1.357880617e-03 5.66 -1.183070247e-03 -1.183070247e-03 5.68 -1.031188542e-03 -1.031188542e-03 5.70 -8.991938309e-04 -8.991938309e-04 5.72 -7.844476427e-04 -7.844476427e-04 5.74 -6.846624435e-04 -6.846624435e-04 5.76 -5.978557039e-04 -5.978557039e-04 5.78 -5.223096702e-04 -5.223096702e-04 5.80 -4.565362229e-04 -4.565362229e-04 5.82 -3.992462519e-04 -3.992462519e-04 5.84 -3.493230145e-04 -3.493230145e-04 5.86 -3.057989978e-04 -3.057989978e-04 5.88 -2.678358462e-04 -2.678358462e-04 5.90 -2.347069692e-04 -2.347069692e-04 5.92 -2.057824810e-04 -2.057824810e-04 5.94 -1.805161695e-04 -1.805161695e-04 5.96 -1.584342255e-04 -1.584342255e-04 5.98 -1.391254981e-04 -1.391254981e-04 6.00 -1.222330719e-04 -1.222330719e-04