# 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 = Al2CuTa # 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 1.408402583e+02 1.408402583e+02 1.30 1.306082645e+02 1.306082645e+02 1.32 1.211305276e+02 1.211305276e+02 1.34 1.123481992e+02 1.123481992e+02 1.36 1.042056346e+02 1.042056346e+02 1.38 9.665194306e+01 9.665194306e+01 1.40 8.964124436e+01 8.964124436e+01 1.42 8.313160460e+01 8.313160460e+01 1.44 7.708338175e+01 7.708338175e+01 1.46 7.145807914e+01 7.145807914e+01 1.48 6.621863377e+01 6.621863377e+01 1.50 6.133096191e+01 6.133096191e+01 1.52 5.676541418e+01 5.676541418e+01 1.54 5.249697105e+01 5.249697105e+01 1.56 4.850430241e+01 4.850430241e+01 1.58 4.476861570e+01 4.476861570e+01 1.60 4.127292131e+01 4.127292131e+01 1.62 3.800168855e+01 3.800168855e+01 1.64 3.494059693e+01 3.494059693e+01 1.66 3.207811578e+01 3.207811578e+01 1.68 2.940548861e+01 2.940548861e+01 1.70 2.691063455e+01 2.691063455e+01 1.72 2.458225231e+01 2.458225231e+01 1.74 2.240990426e+01 2.240990426e+01 1.76 2.038386065e+01 2.038386065e+01 1.78 1.849708440e+01 1.849708440e+01 1.80 1.674225652e+01 1.674225652e+01 1.82 1.511064031e+01 1.511064031e+01 1.84 1.359397286e+01 1.359397286e+01 1.86 1.218451591e+01 1.218451591e+01 1.88 1.087504243e+01 1.087504243e+01 1.90 9.658781063e+00 9.658781063e+00 1.92 8.529350919e+00 8.529350919e+00 1.94 7.480711856e+00 7.480711856e+00 1.96 6.507143217e+00 6.507143217e+00 1.98 5.603253977e+00 5.603253977e+00 2.00 4.764018929e+00 4.764018929e+00 2.02 3.984825733e+00 3.984825733e+00 2.04 3.261506101e+00 3.261506101e+00 2.06 2.590326022e+00 2.590326022e+00 2.08 1.967932547e+00 1.967932547e+00 2.10 1.391279193e+00 1.391279193e+00 2.12 8.575565578e-01 8.575565578e-01 2.14 3.641420871e-01 3.641420871e-01 2.16 -9.143024445e-02 -9.143024445e-02 2.18 -5.114859211e-01 -5.114859211e-01 2.20 -8.982185375e-01 -8.982185375e-01 2.22 -1.253698097e+00 -1.253698097e+00 2.24 -1.579884184e+00 -1.579884184e+00 2.26 -1.878645632e+00 -1.878645632e+00 2.28 -2.151783656e+00 -2.151783656e+00 2.30 -2.401051377e+00 -2.401051377e+00 2.32 -2.628161338e+00 -2.628161338e+00 2.34 -2.834750120e+00 -2.834750120e+00 2.36 -3.022285594e+00 -3.022285594e+00 2.38 -3.192369408e+00 -3.192369408e+00 2.40 -3.346463664e+00 -3.346463664e+00 2.42 -3.485824452e+00 -3.485824452e+00 2.44 -3.611511134e+00 -3.611511134e+00 2.46 -3.724419317e+00 -3.724419317e+00 2.48 -3.825299758e+00 -3.825299758e+00 2.50 -3.914619265e+00 -3.914619265e+00 2.52 -3.992803291e+00 -3.992803291e+00 2.54 -4.060395450e+00 -4.060395450e+00 2.56 -4.118065279e+00 -4.118065279e+00 2.58 -4.166608286e+00 -4.166608286e+00 2.60 -4.206929292e+00 -4.206929292e+00 2.62 -4.240001435e+00 -4.240001435e+00 2.64 -4.266802454e+00 -4.266802454e+00 2.66 -4.288241203e+00 -4.288241203e+00 2.68 -4.305094104e+00 -4.305094104e+00 2.70 -4.317967331e+00 -4.317967331e+00 2.72 -4.327289934e+00 -4.327289934e+00 2.74 -4.333332008e+00 -4.333332008e+00 2.76 -4.336236693e+00 -4.336236693e+00 2.78 -4.336204579e+00 -4.336204579e+00 2.80 -4.333227834e+00 -4.333227834e+00 2.82 -4.327093935e+00 -4.327093935e+00 2.84 -4.317625485e+00 -4.317625485e+00 2.86 -4.305499921e+00 -4.305499921e+00 2.88 -4.290996018e+00 -4.290996018e+00 2.90 -4.273666364e+00 -4.273666364e+00 2.92 -4.253167469e+00 -4.253167469e+00 2.94 -4.229251801e+00 -4.229251801e+00 2.96 -4.201764313e+00 -4.201764313e+00 2.98 -4.170648121e+00 -4.170648121e+00 3.00 -4.135925866e+00 -4.135925866e+00 3.02 -4.097690488e+00 -4.097690488e+00 3.04 -4.056108328e+00 -4.056108328e+00 3.06 -4.011418556e+00 -4.011418556e+00 3.08 -3.963894895e+00 -3.963894895e+00 3.10 -3.913825210e+00 -3.913825210e+00 3.12 -3.861493505e+00 -3.861493505e+00 3.14 -3.807164699e+00 -3.807164699e+00 3.16 -3.751074588e+00 -3.751074588e+00 3.18 -3.693426541e+00 -3.693426541e+00 3.20 -3.634394199e+00 -3.634394199e+00 3.22 -3.574128499e+00 -3.574128499e+00 3.24 -3.512766605e+00 -3.512766605e+00 3.26 -3.450440484e+00 -3.450440484e+00 3.28 -3.387283405e+00 -3.387283405e+00 3.30 -3.323433416e+00 -3.323433416e+00 3.32 -3.259033548e+00 -3.259033548e+00 3.34 -3.194229118e+00 -3.194229118e+00 3.36 -3.129162962e+00 -3.129162962e+00 3.38 -3.063969607e+00 -3.063969607e+00 3.40 -2.998769470e+00 -2.998769470e+00 3.42 -2.933663988e+00 -2.933663988e+00 3.44 -2.868732260e+00 -2.868732260e+00 3.46 -2.804029534e+00 -2.804029534e+00 3.48 -2.739587467e+00 -2.739587467e+00 3.50 -2.675415945e+00 -2.675415945e+00 3.52 -2.611506086e+00 -2.611506086e+00 3.54 -2.547834091e+00 -2.547834091e+00 3.56 -2.484365617e+00 -2.484365617e+00 3.58 -2.421060472e+00 -2.421060472e+00 3.60 -2.357877485e+00 -2.357877485e+00 3.62 -2.294779462e+00 -2.294779462e+00 3.64 -2.231738186e+00 -2.231738186e+00 3.66 -2.168739330e+00 -2.168739330e+00 3.68 -2.105787167e+00 -2.105787167e+00 3.70 -2.042908818e+00 -2.042908818e+00 3.72 -1.980157736e+00 -1.980157736e+00 3.74 -1.917616019e+00 -1.917616019e+00 3.76 -1.855395152e+00 -1.855395152e+00 3.78 -1.793634782e+00 -1.793634782e+00 3.80 -1.732499275e+00 -1.732499275e+00 3.82 -1.672172006e+00 -1.672172006e+00 3.84 -1.612847605e+00 -1.612847605e+00 3.86 -1.554722688e+00 -1.554722688e+00 3.88 -1.497985870e+00 -1.497985870e+00 3.90 -1.442807991e+00 -1.442807991e+00 3.92 -1.389333517e+00 -1.389333517e+00 3.94 -1.337673932e+00 -1.337673932e+00 3.96 -1.287903551e+00 -1.287903551e+00 3.98 -1.240058063e+00 -1.240058063e+00 4.00 -1.194135545e+00 -1.194135545e+00 4.02 -1.150099618e+00 -1.150099618e+00 4.04 -1.107884188e+00 -1.107884188e+00 4.06 -1.067399227e+00 -1.067399227e+00 4.08 -1.028537069e+00 -1.028537069e+00 4.10 -9.911787948e-01 -9.911787948e-01 4.12 -9.552005114e-01 -9.552005114e-01 4.14 -9.204790065e-01 -9.204790065e-01 4.16 -8.868970688e-01 -8.868970688e-01 4.18 -8.543480317e-01 -8.543480317e-01 4.20 -8.227395784e-01 -8.227395784e-01 4.22 -7.919966695e-01 -7.919966695e-01 4.24 -7.620634641e-01 -7.620634641e-01 4.26 -7.329041054e-01 -7.329041054e-01 4.28 -7.045022753e-01 -7.045022753e-01 4.30 -6.768594953e-01 -6.768594953e-01 4.32 -6.499922588e-01 -6.499922588e-01 4.34 -6.239282033e-01 -6.239282033e-01 4.36 -5.987016490e-01 -5.987016490e-01 4.38 -5.743489007e-01 -5.743489007e-01 4.40 -5.509037295e-01 -5.509037295e-01 4.42 -5.283933996e-01 -5.283933996e-01 4.44 -5.068355121e-01 -5.068355121e-01 4.46 -4.862358134e-01 -4.862358134e-01 4.48 -4.665869990e-01 -4.665869990e-01 4.50 -4.478684487e-01 -4.478684487e-01 4.52 -4.300467636e-01 -4.300467636e-01 4.54 -4.130769423e-01 -4.130769423e-01 4.56 -3.969040206e-01 -3.969040206e-01 4.58 -3.814650046e-01 -3.814650046e-01 4.60 -3.666909685e-01 -3.666909685e-01 4.62 -3.525091453e-01 -3.525091453e-01 4.64 -3.388449445e-01 -3.388449445e-01 4.66 -3.256238273e-01 -3.256238273e-01 4.68 -3.127730606e-01 -3.127730606e-01 4.70 -3.002232721e-01 -3.002232721e-01 4.72 -2.879095508e-01 -2.879095508e-01 4.74 -2.757730642e-01 -2.757730642e-01 4.76 -2.637629719e-01 -2.637629719e-01 4.78 -2.518365317e-01 -2.518365317e-01 4.80 -2.399602325e-01 -2.399602325e-01 4.82 -2.281108698e-01 -2.281108698e-01 4.84 -2.162763187e-01 -2.162763187e-01 4.86 -2.044561836e-01 -2.044561836e-01 4.88 -1.926620514e-01 -1.926620514e-01 4.90 -1.809173289e-01 -1.809173289e-01 4.92 -1.692565672e-01 -1.692565672e-01 4.94 -1.577242140e-01 -1.577242140e-01 4.96 -1.463727872e-01 -1.463727872e-01 4.98 -1.352605221e-01 -1.352605221e-01 5.00 -1.244486142e-01 -1.244486142e-01 5.02 -1.139982364e-01 -1.139982364e-01 5.04 -1.039675537e-01 -1.039675537e-01 5.06 -9.440896581e-02 -9.440896581e-02 5.08 -8.536679265e-02 -8.536679265e-02 5.10 -7.687556260e-02 -7.687556260e-02 5.12 -6.895899782e-02 -6.895899782e-02 5.14 -6.162971058e-02 -6.162971058e-02 5.16 -5.488955397e-02 -5.488955397e-02 5.18 -4.873051469e-02 -4.873051469e-02 5.20 -4.313600292e-02 -4.313600292e-02 5.22 -3.808238232e-02 -3.808238232e-02 5.24 -3.354058901e-02 -3.354058901e-02 5.26 -2.947773286e-02 -2.947773286e-02 5.28 -2.585857192e-02 -2.585857192e-02 5.30 -2.264680615e-02 -2.264680615e-02 5.32 -1.980614493e-02 -1.980614493e-02 5.34 -1.730116030e-02 -1.730116030e-02 5.36 -1.509792534e-02 -1.509792534e-02 5.38 -1.316414448e-02 -1.316414448e-02 5.40 -1.147014850e-02 -1.147014850e-02 5.42 -9.988843378e-03 -9.988843378e-03 5.44 -8.695448445e-03 -8.695448445e-03 5.46 -7.567511738e-03 -7.567511738e-03 5.48 -6.584849450e-03 -6.584849450e-03 5.50 -5.729434373e-03 -5.729434373e-03 5.52 -4.985252657e-03 -4.985252657e-03 5.54 -4.338143462e-03 -4.338143462e-03 5.56 -3.775632123e-03 -3.775632123e-03 5.58 -3.286764339e-03 -3.286764339e-03 5.60 -2.861946466e-03 -2.861946466e-03 5.62 -2.492795134e-03 -2.492795134e-03 5.64 -2.171998031e-03 -2.171998031e-03 5.66 -1.893186716e-03 -1.893186716e-03 5.68 -1.650821647e-03 -1.650821647e-03 5.70 -1.440089083e-03 -1.440089083e-03 5.72 -1.256809299e-03 -1.256809299e-03 5.74 -1.097355288e-03 -1.097355288e-03 5.76 -9.585811102e-04 -9.585811102e-04 5.78 -8.377589655e-04 -8.377589655e-04 5.80 -7.325241014e-04 -7.325241014e-04 5.82 -6.408267120e-04 -6.408267120e-04 5.84 -5.608900229e-04 -5.608900229e-04 5.86 -4.911738350e-04 -4.911738350e-04 5.88 -4.303428590e-04 -4.303428590e-04 5.90 -3.772392451e-04 -3.772392451e-04 5.92 -3.308587724e-04 -3.308587724e-04 5.94 -2.903302271e-04 -2.903302271e-04 5.96 -2.548975512e-04 -2.548975512e-04 5.98 -2.239043971e-04 -2.239043971e-04 6.00 -1.967807673e-04 -1.967807673e-04