# 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 = CoFeW2 # 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 2.968715205e+02 2.968715205e+02 1.30 2.722184820e+02 2.722184820e+02 1.32 2.495888265e+02 2.495888265e+02 1.34 2.287984436e+02 2.287984436e+02 1.36 2.096776028e+02 2.096776028e+02 1.38 1.920722551e+02 1.920722551e+02 1.40 1.758457502e+02 1.758457502e+02 1.42 1.608793764e+02 1.608793764e+02 1.44 1.470708974e+02 1.470708974e+02 1.46 1.343316733e+02 1.343316733e+02 1.48 1.225835665e+02 1.225835665e+02 1.50 1.117563293e+02 1.117563293e+02 1.52 1.017855699e+02 1.017855699e+02 1.54 9.261133213e+01 9.261133213e+01 1.56 8.417729541e+01 8.417729541e+01 1.58 7.643038429e+01 7.643038429e+01 1.60 6.932049405e+01 6.932049405e+01 1.62 6.280018666e+01 6.280018666e+01 1.64 5.682436977e+01 5.682436977e+01 1.66 5.135004648e+01 5.135004648e+01 1.68 4.633621399e+01 4.633621399e+01 1.70 4.174390377e+01 4.174390377e+01 1.72 3.753628255e+01 3.753628255e+01 1.74 3.367876905e+01 3.367876905e+01 1.76 3.013919161e+01 3.013919161e+01 1.78 2.688800231e+01 2.688800231e+01 1.80 2.389885410e+01 2.389885410e+01 1.82 2.114932570e+01 2.114932570e+01 1.84 1.861884614e+01 1.861884614e+01 1.86 1.628969740e+01 1.628969740e+01 1.88 1.414732153e+01 1.414732153e+01 1.90 1.217920280e+01 1.217920280e+01 1.92 1.037393674e+01 1.037393674e+01 1.94 8.721114040e+00 8.721114040e+00 1.96 7.210884653e+00 7.210884653e+00 1.98 5.833697347e+00 5.833697347e+00 2.00 4.580188501e+00 4.580188501e+00 2.02 3.441163005e+00 3.441163005e+00 2.04 2.407611863e+00 2.407611863e+00 2.06 1.470735826e+00 1.470735826e+00 2.08 6.219758264e-01 6.219758264e-01 2.10 -1.469318340e-01 -1.469318340e-01 2.12 -8.438620148e-01 -8.438620148e-01 2.14 -1.476173295e+00 -1.476173295e+00 2.16 -2.050570390e+00 -2.050570390e+00 2.18 -2.572991731e+00 -2.572991731e+00 2.20 -3.048554793e+00 -3.048554793e+00 2.22 -3.481574967e+00 -3.481574967e+00 2.24 -3.875651007e+00 -3.875651007e+00 2.26 -4.233792464e+00 -4.233792464e+00 2.28 -4.558559051e+00 -4.558559051e+00 2.30 -4.852187379e+00 -4.852187379e+00 2.32 -5.116691103e+00 -5.116691103e+00 2.34 -5.353930694e+00 -5.353930694e+00 2.36 -5.565654350e+00 -5.565654350e+00 2.38 -5.753348830e+00 -5.753348830e+00 2.40 -5.918662398e+00 -5.918662398e+00 2.42 -6.063316307e+00 -6.063316307e+00 2.44 -6.188906594e+00 -6.188906594e+00 2.46 -6.296912052e+00 -6.296912052e+00 2.48 -6.388699469e+00 -6.388699469e+00 2.50 -6.465527413e+00 -6.465527413e+00 2.52 -6.528436526e+00 -6.528436526e+00 2.54 -6.577799215e+00 -6.577799215e+00 2.56 -6.613849151e+00 -6.613849151e+00 2.58 -6.636895830e+00 -6.636895830e+00 2.60 -6.647298263e+00 -6.647298263e+00 2.62 -6.645440252e+00 -6.645440252e+00 2.64 -6.631707607e+00 -6.631707607e+00 2.66 -6.606470757e+00 -6.606470757e+00 2.68 -6.570076189e+00 -6.570076189e+00 2.70 -6.522847258e+00 -6.522847258e+00 2.72 -6.465091716e+00 -6.465091716e+00 2.74 -6.397123743e+00 -6.397123743e+00 2.76 -6.319290169e+00 -6.319290169e+00 2.78 -6.231869514e+00 -6.231869514e+00 2.80 -6.135164814e+00 -6.135164814e+00 2.82 -6.029525179e+00 -6.029525179e+00 2.84 -5.915357019e+00 -5.915357019e+00 2.86 -5.793137674e+00 -5.793137674e+00 2.88 -5.663430374e+00 -5.663430374e+00 2.90 -5.526880762e+00 -5.526880762e+00 2.92 -5.384178890e+00 -5.384178890e+00 2.94 -5.236132490e+00 -5.236132490e+00 2.96 -5.083669189e+00 -5.083669189e+00 2.98 -4.927820233e+00 -4.927820233e+00 3.00 -4.769685651e+00 -4.769685651e+00 3.02 -4.610387316e+00 -4.610387316e+00 3.04 -4.451015804e+00 -4.451015804e+00 3.06 -4.292577281e+00 -4.292577281e+00 3.08 -4.135942703e+00 -4.135942703e+00 3.10 -3.981720525e+00 -3.981720525e+00 3.12 -3.830257014e+00 -3.830257014e+00 3.14 -3.681735666e+00 -3.681735666e+00 3.16 -3.536194661e+00 -3.536194661e+00 3.18 -3.393552043e+00 -3.393552043e+00 3.20 -3.253637663e+00 -3.253637663e+00 3.22 -3.116226937e+00 -3.116226937e+00 3.24 -2.981072649e+00 -2.981072649e+00 3.26 -2.847932526e+00 -2.847932526e+00 3.28 -2.716591746e+00 -2.716591746e+00 3.30 -2.586880623e+00 -2.586880623e+00 3.32 -2.458688355e+00 -2.458688355e+00 3.34 -2.331973792e+00 -2.331973792e+00 3.36 -2.206773838e+00 -2.206773838e+00 3.38 -2.083209477e+00 -2.083209477e+00 3.40 -1.961488699e+00 -1.961488699e+00 3.42 -1.841905102e+00 -1.841905102e+00 3.44 -1.724830834e+00 -1.724830834e+00 3.46 -1.610702966e+00 -1.610702966e+00 3.48 -1.500003243e+00 -1.500003243e+00 3.50 -1.393232274e+00 -1.393232274e+00 3.52 -1.290880347e+00 -1.290880347e+00 3.54 -1.193397804e+00 -1.193397804e+00 3.56 -1.101168141e+00 -1.101168141e+00 3.58 -1.014486620e+00 -1.014486620e+00 3.60 -9.335463478e-01 -9.335463478e-01 3.62 -8.584325973e-01 -8.584325973e-01 3.64 -7.891250567e-01 -7.891250567e-01 3.66 -7.255067431e-01 -7.255067431e-01 3.68 -6.673777620e-01 -6.673777620e-01 3.70 -6.144719015e-01 -6.144719015e-01 3.72 -5.664741769e-01 -5.664741769e-01 3.74 -5.230377868e-01 -5.230377868e-01 3.76 -4.837993823e-01 -4.837993823e-01 3.78 -4.483920000e-01 -4.483920000e-01 3.80 -4.164553927e-01 -4.164553927e-01 3.82 -3.876437873e-01 -3.876437873e-01 3.84 -3.616312931e-01 -3.616312931e-01 3.86 -3.381152932e-01 -3.381152932e-01 3.88 -3.168181927e-01 -3.168181927e-01 3.90 -2.974878910e-01 -2.974878910e-01 3.92 -2.798973136e-01 -2.798973136e-01 3.94 -2.638432894e-01 -2.638432894e-01 3.96 -2.491450094e-01 -2.491450094e-01 3.98 -2.356422530e-01 -2.356422530e-01 4.00 -2.231935238e-01 -2.231935238e-01 4.02 -2.116742026e-01 -2.116742026e-01 4.04 -2.009747906e-01 -2.009747906e-01 4.06 -1.909992992e-01 -1.909992992e-01 4.08 -1.816638179e-01 -1.816638179e-01 4.10 -1.728952045e-01 -1.728952045e-01 4.12 -1.646300830e-01 -1.646300830e-01 4.14 -1.568142750e-01 -1.568142750e-01 4.16 -1.494017871e-01 -1.494017871e-01 4.18 -1.423542524e-01 -1.423542524e-01 4.20 -1.356404272e-01 -1.356404272e-01 4.22 -1.292356614e-01 -1.292356614e-01 4.24 -1.231212702e-01 -1.231212702e-01 4.26 -1.172837512e-01 -1.172837512e-01 4.28 -1.117138179e-01 -1.117138179e-01 4.30 -1.064052600e-01 -1.064052600e-01 4.32 -1.013537033e-01 -1.013537033e-01 4.34 -9.655537233e-02 -9.655537233e-02 4.36 -9.200598089e-02 -9.200598089e-02 4.38 -8.769965461e-02 -8.769965461e-02 4.40 -8.362863973e-02 -8.362863973e-02 4.42 -7.978355401e-02 -7.978355401e-02 4.44 -7.615287037e-02 -7.615287037e-02 4.46 -7.272327694e-02 -7.272327694e-02 4.48 -6.948017670e-02 -6.948017670e-02 4.50 -6.640821987e-02 -6.640821987e-02 4.52 -6.349179751e-02 -6.349179751e-02 4.54 -6.071545252e-02 -6.071545252e-02 4.56 -5.806419059e-02 -5.806419059e-02 4.58 -5.552369311e-02 -5.552369311e-02 4.60 -5.308044755e-02 -5.308044755e-02 4.62 -5.072181672e-02 -5.072181672e-02 4.64 -4.843607046e-02 -4.843607046e-02 4.66 -4.621240137e-02 -4.621240137e-02 4.68 -4.404094365e-02 -4.404094365e-02 4.70 -4.191280995e-02 -4.191280995e-02 4.72 -3.982015683e-02 -3.982015683e-02 4.74 -3.775628492e-02 -3.775628492e-02 4.76 -3.571577432e-02 -3.571577432e-02 4.78 -3.369464983e-02 -3.369464983e-02 4.80 -3.169056322e-02 -3.169056322e-02 4.82 -2.970297385e-02 -2.970297385e-02 4.84 -2.773329950e-02 -2.773329950e-02 4.86 -2.578500632e-02 -2.578500632e-02 4.88 -2.386360294e-02 -2.386360294e-02 4.90 -2.197650843e-02 -2.197650843e-02 4.92 -2.013277369e-02 -2.013277369e-02 4.94 -1.834265270e-02 -1.834265270e-02 4.96 -1.661687956e-02 -1.661687956e-02 4.98 -1.496625014e-02 -1.496625014e-02 5.00 -1.340109224e-02 -1.340109224e-02 5.02 -1.193037971e-02 -1.193037971e-02 5.04 -1.056119872e-02 -1.056119872e-02 5.06 -9.298378485e-03 -9.298378485e-03 5.08 -8.144315027e-03 -8.144315027e-03 5.10 -7.098989151e-03 -7.098989151e-03 5.12 -6.160154613e-03 -6.160154613e-03 5.14 -5.323654484e-03 -5.323654484e-03 5.16 -4.583815631e-03 -4.583815631e-03 5.18 -3.933872096e-03 -3.933872096e-03 5.20 -3.366375896e-03 -3.366375896e-03 5.22 -2.873565183e-03 -2.873565183e-03 5.24 -2.447671886e-03 -2.447671886e-03 5.26 -2.081161724e-03 -2.081161724e-03 5.28 -1.766907819e-03 -1.766907819e-03 5.30 -1.498304541e-03 -1.498304541e-03 5.32 -1.269331209e-03 -1.269331209e-03 5.34 -1.074576140e-03 -1.074576140e-03 5.36 -9.092312059e-04 -9.092312059e-04 5.38 -7.690657946e-04 -7.690657946e-04 5.40 -6.503875847e-04 -6.503875847e-04 5.42 -5.499959033e-04 -5.499959033e-04 5.44 -4.651319919e-04 -4.651319919e-04 5.46 -3.934292357e-04 -3.934292357e-04 5.48 -3.328653977e-04 -3.328653977e-04 5.50 -2.817181185e-04 -2.817181185e-04 5.52 -2.385243581e-04 -2.385243581e-04 5.54 -2.020440508e-04 -2.020440508e-04 5.56 -1.712279581e-04 -1.712279581e-04 5.58 -1.451895325e-04 -1.451895325e-04 5.60 -1.231804957e-04 -1.231804957e-04 5.62 -1.045697854e-04 -1.045697854e-04 5.64 -8.882550345e-05 -8.882550345e-05 5.66 -7.549950810e-05 -7.549950810e-05 5.68 -6.421430921e-05 -6.421430921e-05 5.70 -5.465195574e-05 -5.465195574e-05 5.72 -4.654463448e-05 -4.654463448e-05 5.74 -3.966673164e-05 -3.966673164e-05 5.76 -3.382813957e-05 -3.382813957e-05 5.78 -2.886862002e-05 -2.886862002e-05 5.80 -2.465306123e-05 -2.465306123e-05 5.82 -2.106748972e-05 -2.106748972e-05 5.84 -1.801571810e-05 -1.801571810e-05 5.86 -1.541652827e-05 -1.541652827e-05 5.88 -1.320130482e-05 -1.320130482e-05 5.90 -1.131204657e-05 -1.131204657e-05 5.92 -9.699695816e-06 -9.699695816e-06 5.94 -8.322734000e-06 -8.322734000e-06 5.96 -7.146001269e-06 -7.146001269e-06 5.98 -6.139703696e-06 -6.139703696e-06 6.00 -5.278578090e-06 -5.278578090e-06