# 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 = MoNiW2 # 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 3.185278882e+02 3.185278882e+02 1.30 2.934325266e+02 2.934325266e+02 1.32 2.703407994e+02 2.703407994e+02 1.34 2.490695821e+02 2.490695821e+02 1.36 2.294467405e+02 2.294467405e+02 1.38 2.113145670e+02 2.113145670e+02 1.40 1.945334536e+02 1.945334536e+02 1.42 1.789837587e+02 1.789837587e+02 1.44 1.645647757e+02 1.645647757e+02 1.46 1.511912730e+02 1.511912730e+02 1.48 1.387892634e+02 1.387892634e+02 1.50 1.272926351e+02 1.272926351e+02 1.52 1.166413254e+02 1.166413254e+02 1.54 1.067806322e+02 1.067806322e+02 1.56 9.766073541e+01 9.766073541e+01 1.58 8.923584761e+01 8.923584761e+01 1.60 8.146307602e+01 8.146307602e+01 1.62 7.430135650e+01 7.430135650e+01 1.64 6.771066238e+01 6.771066238e+01 1.66 6.165150498e+01 6.165150498e+01 1.68 5.608470938e+01 5.608470938e+01 1.70 5.097145441e+01 5.097145441e+01 1.72 4.627353467e+01 4.627353467e+01 1.74 4.195378549e+01 4.195378549e+01 1.76 3.797663017e+01 3.797663017e+01 1.78 3.430871813e+01 3.430871813e+01 1.80 3.091959928e+01 3.091959928e+01 1.82 2.778233336e+01 2.778233336e+01 1.84 2.487389379e+01 2.487389379e+01 1.86 2.217616030e+01 2.217616030e+01 1.88 1.967425192e+01 1.967425192e+01 1.90 1.735627490e+01 1.735627490e+01 1.92 1.521356402e+01 1.521356402e+01 1.94 1.323649042e+01 1.323649042e+01 1.96 1.141595377e+01 1.141595377e+01 1.98 9.743074956e+00 9.743074956e+00 2.00 8.208964054e+00 8.208964054e+00 2.02 6.804620525e+00 6.804620525e+00 2.04 5.520910031e+00 5.520910031e+00 2.06 4.348591004e+00 4.348591004e+00 2.08 3.278390033e+00 3.278390033e+00 2.10 2.301134856e+00 2.301134856e+00 2.12 1.407944622e+00 1.407944622e+00 2.14 5.904555845e-01 5.904555845e-01 2.16 -1.589606089e-01 -1.589606089e-01 2.18 -8.470358649e-01 -8.470358649e-01 2.20 -1.479538381e+00 -1.479538381e+00 2.22 -2.061307855e+00 -2.061307855e+00 2.24 -2.596373281e+00 -2.596373281e+00 2.26 -3.088116848e+00 -3.088116848e+00 2.28 -3.539446566e+00 -3.539446566e+00 2.30 -3.952949529e+00 -3.952949529e+00 2.32 -4.331008793e+00 -4.331008793e+00 2.34 -4.675875952e+00 -4.675875952e+00 2.36 -4.989700121e+00 -4.989700121e+00 2.38 -5.274523764e+00 -5.274523764e+00 2.40 -5.532263298e+00 -5.532263298e+00 2.42 -5.764692326e+00 -5.764692326e+00 2.44 -5.973437263e+00 -5.973437263e+00 2.46 -6.159984868e+00 -6.159984868e+00 2.48 -6.325609115e+00 -6.325609115e+00 2.50 -6.471486497e+00 -6.471486497e+00 2.52 -6.598920038e+00 -6.598920038e+00 2.54 -6.709090752e+00 -6.709090752e+00 2.56 -6.803061928e+00 -6.803061928e+00 2.58 -6.881789790e+00 -6.881789790e+00 2.60 -6.946136407e+00 -6.946136407e+00 2.62 -6.996885747e+00 -6.996885747e+00 2.64 -7.034697092e+00 -7.034697092e+00 2.66 -7.059749039e+00 -7.059749039e+00 2.68 -7.072094003e+00 -7.072094003e+00 2.70 -7.071881941e+00 -7.071881941e+00 2.72 -7.059267762e+00 -7.059267762e+00 2.74 -7.034550145e+00 -7.034550145e+00 2.76 -6.998221304e+00 -6.998221304e+00 2.78 -6.950800088e+00 -6.950800088e+00 2.80 -6.892818524e+00 -6.892818524e+00 2.82 -6.824814320e+00 -6.824814320e+00 2.84 -6.747327222e+00 -6.747327222e+00 2.86 -6.660909089e+00 -6.660909089e+00 2.88 -6.566131985e+00 -6.566131985e+00 2.90 -6.463491239e+00 -6.463491239e+00 2.92 -6.353454747e+00 -6.353454747e+00 2.94 -6.236588301e+00 -6.236588301e+00 2.96 -6.113457823e+00 -6.113457823e+00 2.98 -5.984542060e+00 -5.984542060e+00 3.00 -5.850409632e+00 -5.850409632e+00 3.02 -5.711706143e+00 -5.711706143e+00 3.04 -5.569107963e+00 -5.569107963e+00 3.06 -5.423273964e+00 -5.423273964e+00 3.08 -5.274800906e+00 -5.274800906e+00 3.10 -5.124187787e+00 -5.124187787e+00 3.12 -4.971812944e+00 -4.971812944e+00 3.14 -4.817925541e+00 -4.817925541e+00 3.16 -4.662650961e+00 -4.662650961e+00 3.18 -4.506007937e+00 -4.506007937e+00 3.20 -4.347934436e+00 -4.347934436e+00 3.22 -4.188319153e+00 -4.188319153e+00 3.24 -4.027035870e+00 -4.027035870e+00 3.26 -3.863978452e+00 -3.863978452e+00 3.28 -3.699094808e+00 -3.699094808e+00 3.30 -3.532418363e+00 -3.532418363e+00 3.32 -3.364095656e+00 -3.364095656e+00 3.34 -3.194408488e+00 -3.194408488e+00 3.36 -3.023788861e+00 -3.023788861e+00 3.38 -2.852824850e+00 -2.852824850e+00 3.40 -2.682255766e+00 -2.682255766e+00 3.42 -2.512955553e+00 -2.512955553e+00 3.44 -2.345904379e+00 -2.345904379e+00 3.46 -2.182149668e+00 -2.182149668e+00 3.48 -2.022759263e+00 -2.022759263e+00 3.50 -1.868770594e+00 -1.868770594e+00 3.52 -1.721140491e+00 -1.721140491e+00 3.54 -1.580700361e+00 -1.580700361e+00 3.56 -1.448120770e+00 -1.448120770e+00 3.58 -1.323888243e+00 -1.323888243e+00 3.60 -1.208295456e+00 -1.208295456e+00 3.62 -1.101444395e+00 -1.101444395e+00 3.64 -1.003260671e+00 -1.003260671e+00 3.66 -9.135162721e-01 -9.135162721e-01 3.68 -8.318576645e-01 -8.318576645e-01 3.70 -7.578362152e-01 -7.578362152e-01 3.72 -6.909383504e-01 -6.909383504e-01 3.74 -6.306134649e-01 -6.306134649e-01 3.76 -5.762982492e-01 -5.762982492e-01 3.78 -5.274366850e-01 -5.274366850e-01 3.80 -4.834954356e-01 -4.834954356e-01 3.82 -4.439747018e-01 -4.439747018e-01 3.84 -4.084148613e-01 -4.084148613e-01 3.86 -3.763993896e-01 -3.763993896e-01 3.88 -3.475546968e-01 -3.475546968e-01 3.90 -3.215476279e-01 -3.215476279e-01 3.92 -2.980814337e-01 -2.980814337e-01 3.94 -2.768910145e-01 -2.768910145e-01 3.96 -2.577381483e-01 -2.577381483e-01 3.98 -2.404072330e-01 -2.404072330e-01 4.00 -2.247018494e-01 -2.247018494e-01 4.02 -2.104422276e-01 -2.104422276e-01 4.04 -1.974635104e-01 -1.974635104e-01 4.06 -1.856146356e-01 -1.856146356e-01 4.08 -1.747575720e-01 -1.747575720e-01 4.10 -1.647666428e-01 -1.647666428e-01 4.12 -1.555279915e-01 -1.555279915e-01 4.14 -1.469394177e-01 -1.469394177e-01 4.16 -1.389092713e-01 -1.389092713e-01 4.18 -1.313555788e-01 -1.313555788e-01 4.20 -1.242061584e-01 -1.242061584e-01 4.22 -1.173974801e-01 -1.173974801e-01 4.24 -1.108740872e-01 -1.108740872e-01 4.26 -1.045882790e-01 -1.045882790e-01 4.28 -9.849990760e-02 -9.849990760e-02 4.30 -9.257629642e-02 -9.257629642e-02 4.32 -8.679226094e-02 -8.679226094e-02 4.34 -8.113018256e-02 -8.113018256e-02 4.36 -7.558006390e-02 -7.558006390e-02 4.38 -7.013947437e-02 -7.013947437e-02 4.40 -6.481328637e-02 -6.481328637e-02 4.42 -5.961310993e-02 -5.961310993e-02 4.44 -5.455635990e-02 -5.455635990e-02 4.46 -4.966493616e-02 -4.966493616e-02 4.48 -4.496355842e-02 -4.496355842e-02 4.50 -4.047786249e-02 -4.047786249e-02 4.52 -3.623241967e-02 -3.623241967e-02 4.54 -3.224887171e-02 -3.224887171e-02 4.56 -2.854436635e-02 -2.854436635e-02 4.58 -2.513044567e-02 -2.513044567e-02 4.60 -2.201246747e-02 -2.201246747e-02 4.62 -1.918956540e-02 -1.918956540e-02 4.64 -1.665488156e-02 -1.665488156e-02 4.66 -1.439653799e-02 -1.439653799e-02 4.68 -1.239924871e-02 -1.239924871e-02 4.70 -1.064473544e-02 -1.064473544e-02 4.72 -9.112841485e-03 -9.112841485e-03 4.74 -7.782550041e-03 -7.782550041e-03 4.76 -6.632831288e-03 -6.632831288e-03 4.78 -5.643299658e-03 -5.643299658e-03 4.80 -4.794686159e-03 -4.794686159e-03 4.82 -4.069145688e-03 -4.069145688e-03 4.84 -3.450426425e-03 -3.450426425e-03 4.86 -2.923931528e-03 -2.923931528e-03 4.88 -2.476700868e-03 -2.476700868e-03 4.90 -2.097337577e-03 -2.097337577e-03 4.92 -1.775899544e-03 -1.775899544e-03 4.94 -1.503771555e-03 -1.503771555e-03 4.96 -1.273529682e-03 -1.273529682e-03 4.98 -1.078806087e-03 -1.078806087e-03 5.00 -9.141596486e-04 -9.141596486e-04 5.02 -7.749556990e-04 -7.749556990e-04 5.04 -6.572566215e-04 -6.572566215e-04 5.06 -5.577239486e-04 -5.577239486e-04 5.08 -4.735318755e-04 -4.735318755e-04 5.10 -4.022916326e-04 -4.022916326e-04 5.12 -3.419858927e-04 -3.419858927e-04 5.14 -2.909122538e-04 -2.909122538e-04 5.16 -2.476348017e-04 -2.476348017e-04 5.18 -2.109427757e-04 -2.109427757e-04 5.20 -1.798154188e-04 -1.798154188e-04 5.22 -1.533921708e-04 -1.533921708e-04 5.24 -1.309474502e-04 -1.309474502e-04 5.26 -1.118693558e-04 -1.118693558e-04 5.28 -9.564170426e-05 -9.564170426e-05 5.30 -8.182889769e-05 -8.182889769e-05 5.32 -7.006318483e-05 -7.006318483e-05 5.34 -6.003394411e-05 -6.003394411e-05 5.36 -5.147867055e-05 -5.147867055e-05 5.38 -4.417539718e-05 -4.417539718e-05 5.40 -3.793632309e-05 -3.793632309e-05 5.42 -3.260245569e-05 -3.260245569e-05 5.44 -2.803910499e-05 -2.803910499e-05 5.46 -2.413209337e-05 -2.413209337e-05 5.48 -2.078456633e-05 -2.078456633e-05 5.50 -1.791430770e-05 -1.791430770e-05 5.52 -1.545147859e-05 -1.545147859e-05 5.54 -1.333671233e-05 -1.333671233e-05 5.56 -1.151950837e-05 -1.151950837e-05 5.58 -9.956877504e-06 -9.956877504e-06 5.60 -8.612198525e-06 -8.612198525e-06 5.62 -7.454252532e-06 -7.454252532e-06 5.64 -6.456406932e-06 -6.456406932e-06 5.66 -5.595925402e-06 -5.595925402e-06 5.68 -4.853383998e-06 -4.853383998e-06 5.70 -4.212176759e-06 -4.212176759e-06 5.72 -3.658096800e-06 -3.658096800e-06 5.74 -3.178981117e-06 -3.178981117e-06 5.76 -2.764409211e-06 -2.764409211e-06 5.78 -2.405447204e-06 -2.405447204e-06 5.80 -2.094430420e-06 -2.094430420e-06 5.82 -1.824778521e-06 -1.824778521e-06 5.84 -1.590838226e-06 -1.590838226e-06 5.86 -1.387749382e-06 -1.387749382e-06 5.88 -1.211330860e-06 -1.211330860e-06 5.90 -1.057983267e-06 -1.057983267e-06 5.92 -9.246059337e-07 -9.246059337e-07 5.94 -8.085260407e-07 -8.085260407e-07 5.96 -7.074380639e-07 -7.074380639e-07 5.98 -6.193520023e-07 -6.193520023e-07 6.00 -5.425490829e-07 -5.425490829e-07