# 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 = AlPd2Zr # 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 2.898420385e+02 2.898420385e+02 1.30 2.699721359e+02 2.699721359e+02 1.32 2.515026099e+02 2.515026099e+02 1.34 2.343229453e+02 2.343229453e+02 1.36 2.183323379e+02 2.183323379e+02 1.38 2.034383892e+02 2.034383892e+02 1.40 1.895561683e+02 1.895561683e+02 1.42 1.766080564e+02 1.766080564e+02 1.44 1.645240903e+02 1.645240903e+02 1.46 1.532419126e+02 1.532419126e+02 1.48 1.427057566e+02 1.427057566e+02 1.50 1.328648380e+02 1.328648380e+02 1.52 1.236718745e+02 1.236718745e+02 1.54 1.150820828e+02 1.150820828e+02 1.56 1.070527224e+02 1.070527224e+02 1.58 9.954291385e+01 9.954291385e+01 1.60 9.251389945e+01 9.251389945e+01 1.62 8.592968870e+01 8.592968870e+01 1.64 7.975785531e+01 7.975785531e+01 1.66 7.396986961e+01 7.396986961e+01 1.68 6.854073961e+01 6.854073961e+01 1.70 6.344800346e+01 6.344800346e+01 1.72 5.867056088e+01 5.867056088e+01 1.74 5.418789152e+01 5.418789152e+01 1.76 4.997995492e+01 4.997995492e+01 1.78 4.602798621e+01 4.602798621e+01 1.80 4.231442498e+01 4.231442498e+01 1.82 3.883093569e+01 3.883093569e+01 1.84 3.558400333e+01 3.558400333e+01 1.86 3.256060411e+01 3.256060411e+01 1.88 2.974618336e+01 2.974618336e+01 1.90 2.712688875e+01 2.712688875e+01 1.92 2.468952695e+01 2.468952695e+01 1.94 2.242162850e+01 2.242162850e+01 1.96 2.031166526e+01 2.031166526e+01 1.98 1.834915424e+01 1.834915424e+01 2.00 1.652458788e+01 1.652458788e+01 2.02 1.482922090e+01 1.482922090e+01 2.04 1.325483886e+01 1.325483886e+01 2.06 1.179360316e+01 1.179360316e+01 2.08 1.043799394e+01 1.043799394e+01 2.10 9.180825845e+00 9.180825845e+00 2.12 8.015272372e+00 8.015272372e+00 2.14 6.934894244e+00 6.934894244e+00 2.16 5.933655160e+00 5.933655160e+00 2.18 5.005928648e+00 5.005928648e+00 2.20 4.146509937e+00 4.146509937e+00 2.22 3.350608031e+00 3.350608031e+00 2.24 2.613835593e+00 2.613835593e+00 2.26 1.932194224e+00 1.932194224e+00 2.28 1.302052825e+00 1.302052825e+00 2.30 7.201301600e-01 7.201301600e-01 2.32 1.834538218e-01 1.834538218e-01 2.34 -3.106851180e-01 -3.106851180e-01 2.36 -7.647878695e-01 -7.647878695e-01 2.38 -1.181202138e+00 -1.181202138e+00 2.40 -1.562169431e+00 -1.562169431e+00 2.42 -1.909866310e+00 -1.909866310e+00 2.44 -2.226426407e+00 -2.226426407e+00 2.46 -2.513957060e+00 -2.513957060e+00 2.48 -2.774536053e+00 -2.774536053e+00 2.50 -3.010193811e+00 -3.010193811e+00 2.52 -3.222884835e+00 -3.222884835e+00 2.54 -3.414515988e+00 -3.414515988e+00 2.56 -3.586769558e+00 -3.586769558e+00 2.58 -3.741138357e+00 -3.741138357e+00 2.60 -3.878994302e+00 -3.878994302e+00 2.62 -4.001594276e+00 -4.001594276e+00 2.64 -4.110094397e+00 -4.110094397e+00 2.66 -4.205546306e+00 -4.205546306e+00 2.68 -4.288905842e+00 -4.288905842e+00 2.70 -4.360977352e+00 -4.360977352e+00 2.72 -4.422390016e+00 -4.422390016e+00 2.74 -4.473720334e+00 -4.473720334e+00 2.76 -4.515510212e+00 -4.515510212e+00 2.78 -4.548271433e+00 -4.548271433e+00 2.80 -4.572499177e+00 -4.572499177e+00 2.82 -4.588667126e+00 -4.588667126e+00 2.84 -4.597242040e+00 -4.597242040e+00 2.86 -4.598687850e+00 -4.598687850e+00 2.88 -4.593470880e+00 -4.593470880e+00 2.90 -4.582653565e+00 -4.582653565e+00 2.92 -4.567408333e+00 -4.567408333e+00 2.94 -4.547749870e+00 -4.547749870e+00 2.96 -4.523735336e+00 -4.523735336e+00 2.98 -4.495477045e+00 -4.495477045e+00 3.00 -4.463127497e+00 -4.463127497e+00 3.02 -4.426868109e+00 -4.426868109e+00 3.04 -4.386900053e+00 -4.386900053e+00 3.06 -4.343447181e+00 -4.343447181e+00 3.08 -4.296753199e+00 -4.296753199e+00 3.10 -4.247094857e+00 -4.247094857e+00 3.12 -4.194778790e+00 -4.194778790e+00 3.14 -4.140104166e+00 -4.140104166e+00 3.16 -4.083341390e+00 -4.083341390e+00 3.18 -4.024742705e+00 -4.024742705e+00 3.20 -3.964540690e+00 -3.964540690e+00 3.22 -3.902951192e+00 -3.902951192e+00 3.24 -3.840177308e+00 -3.840177308e+00 3.26 -3.776413619e+00 -3.776413619e+00 3.28 -3.711849538e+00 -3.711849538e+00 3.30 -3.646670693e+00 -3.646670693e+00 3.32 -3.581057673e+00 -3.581057673e+00 3.34 -3.515182365e+00 -3.515182365e+00 3.36 -3.449203072e+00 -3.449203072e+00 3.38 -3.383260048e+00 -3.383260048e+00 3.40 -3.317471980e+00 -3.317471980e+00 3.42 -3.251940148e+00 -3.251940148e+00 3.44 -3.186744191e+00 -3.186744191e+00 3.46 -3.121950464e+00 -3.121950464e+00 3.48 -3.057614722e+00 -3.057614722e+00 3.50 -2.993785423e+00 -2.993785423e+00 3.52 -2.930505953e+00 -2.930505953e+00 3.54 -2.867815689e+00 -2.867815689e+00 3.56 -2.805750119e+00 -2.805750119e+00 3.58 -2.744340311e+00 -2.744340311e+00 3.60 -2.683612079e+00 -2.683612079e+00 3.62 -2.623585127e+00 -2.623585127e+00 3.64 -2.564272400e+00 -2.564272400e+00 3.66 -2.505679796e+00 -2.505679796e+00 3.68 -2.447806381e+00 -2.447806381e+00 3.70 -2.390645141e+00 -2.390645141e+00 3.72 -2.334184320e+00 -2.334184320e+00 3.74 -2.278409280e+00 -2.278409280e+00 3.76 -2.223304784e+00 -2.223304784e+00 3.78 -2.168857474e+00 -2.168857474e+00 3.80 -2.115058264e+00 -2.115058264e+00 3.82 -2.061904276e+00 -2.061904276e+00 3.84 -2.009399955e+00 -2.009399955e+00 3.86 -1.957557092e+00 -1.957557092e+00 3.88 -1.906393652e+00 -1.906393652e+00 3.90 -1.855931576e+00 -1.855931576e+00 3.92 -1.806192608e+00 -1.806192608e+00 3.94 -1.757201307e+00 -1.757201307e+00 3.96 -1.708973621e+00 -1.708973621e+00 3.98 -1.661522162e+00 -1.661522162e+00 4.00 -1.614854418e+00 -1.614854418e+00 4.02 -1.568973712e+00 -1.568973712e+00 4.04 -1.523880839e+00 -1.523880839e+00 4.06 -1.479575931e+00 -1.479575931e+00 4.08 -1.436060155e+00 -1.436060155e+00 4.10 -1.393333196e+00 -1.393333196e+00 4.12 -1.351409628e+00 -1.351409628e+00 4.14 -1.310294131e+00 -1.310294131e+00 4.16 -1.269998568e+00 -1.269998568e+00 4.18 -1.230536648e+00 -1.230536648e+00 4.20 -1.191923165e+00 -1.191923165e+00 4.22 -1.154173310e+00 -1.154173310e+00 4.24 -1.117302119e+00 -1.117302119e+00 4.26 -1.081324019e+00 -1.081324019e+00 4.28 -1.046252387e+00 -1.046252387e+00 4.30 -1.012098975e+00 -1.012098975e+00 4.32 -9.788731325e-01 -9.788731325e-01 4.34 -9.465807939e-01 -9.465807939e-01 4.36 -9.152233032e-01 -9.152233032e-01 4.38 -8.847962318e-01 -8.847962318e-01 4.40 -8.552883751e-01 -8.552883751e-01 4.42 -8.266811095e-01 -8.266811095e-01 4.44 -7.989482411e-01 -7.989482411e-01 4.46 -7.720563993e-01 -7.720563993e-01 4.48 -7.459659509e-01 -7.459659509e-01 4.50 -7.206323452e-01 -7.206323452e-01 4.52 -6.960077643e-01 -6.960077643e-01 4.54 -6.720429411e-01 -6.720429411e-01 4.56 -6.486890180e-01 -6.486890180e-01 4.58 -6.258993391e-01 -6.258993391e-01 4.60 -6.036310921e-01 -6.036310921e-01 4.62 -5.818467329e-01 -5.818467329e-01 4.64 -5.605151414e-01 -5.605151414e-01 4.66 -5.396124594e-01 -5.396124594e-01 4.68 -5.191225715e-01 -5.191225715e-01 4.70 -4.990371960e-01 -4.990371960e-01 4.72 -4.793555719e-01 -4.793555719e-01 4.74 -4.600837521e-01 -4.600837521e-01 4.76 -4.412335473e-01 -4.412335473e-01 4.78 -4.228212041e-01 -4.228212041e-01 4.80 -4.048627796e-01 -4.048627796e-01 4.82 -3.873857745e-01 -3.873857745e-01 4.84 -3.704071641e-01 -3.704071641e-01 4.86 -3.539466319e-01 -3.539466319e-01 4.88 -3.380219030e-01 -3.380219030e-01 4.90 -3.226481783e-01 -3.226481783e-01 4.92 -3.078378400e-01 -3.078378400e-01 4.94 -2.936003587e-01 -2.936003587e-01 4.96 -2.799423097e-01 -2.799423097e-01 4.98 -2.668674153e-01 -2.668674153e-01 5.00 -2.543765517e-01 -2.543765517e-01 5.02 -2.424676907e-01 -2.424676907e-01 5.04 -2.311356941e-01 -2.311356941e-01 5.06 -2.203721964e-01 -2.203721964e-01 5.08 -2.101659205e-01 -2.101659205e-01 5.10 -2.005022313e-01 -2.005022313e-01 5.12 -1.913632442e-01 -1.913632442e-01 5.14 -1.827280930e-01 -1.827280930e-01 5.16 -1.745733265e-01 -1.745733265e-01 5.18 -1.668734195e-01 -1.668734195e-01 5.20 -1.596013625e-01 -1.596013625e-01 5.22 -1.527292963e-01 -1.527292963e-01 5.24 -1.462291506e-01 -1.462291506e-01 5.26 -1.400732540e-01 -1.400732540e-01 5.28 -1.342348891e-01 -1.342348891e-01 5.30 -1.286887740e-01 -1.286887740e-01 5.32 -1.234114569e-01 -1.234114569e-01 5.34 -1.183816191e-01 -1.183816191e-01 5.36 -1.135802792e-01 -1.135802792e-01 5.38 -1.089909021e-01 -1.089909021e-01 5.40 -1.045994055e-01 -1.045994055e-01 5.42 -1.003940714e-01 -1.003940714e-01 5.44 -9.636536489e-02 -9.636536489e-02 5.46 -9.250567196e-02 -9.250567196e-02 5.48 -8.880896788e-02 -8.880896788e-02 5.50 -8.527044029e-02 -8.527044029e-02 5.52 -8.188609650e-02 -8.188609650e-02 5.54 -7.865237601e-02 -7.865237601e-02 5.56 -7.556579898e-02 -7.556579898e-02 5.58 -7.262267384e-02 -7.262267384e-02 5.60 -6.981878390e-02 -6.981878390e-02 5.62 -6.714934201e-02 -6.714934201e-02 5.64 -6.460917295e-02 -6.460917295e-02 5.66 -6.219246338e-02 -6.219246338e-02 5.68 -5.989283792e-02 -5.989283792e-02 5.70 -5.770347924e-02 -5.770347924e-02 5.72 -5.561726705e-02 -5.561726705e-02 5.74 -5.362692007e-02 -5.362692007e-02 5.76 -5.172512874e-02 -5.172512874e-02 5.78 -4.990467058e-02 -4.990467058e-02 5.80 -4.815850406e-02 -4.815850406e-02 5.82 -4.647983994e-02 -4.647983994e-02 5.84 -4.486219131e-02 -4.486219131e-02 5.86 -4.329940544e-02 -4.329940544e-02 5.88 -4.178568093e-02 -4.178568093e-02 5.90 -4.031557435e-02 -4.031557435e-02 5.92 -3.888400023e-02 -3.888400023e-02 5.94 -3.748622796e-02 -3.748622796e-02 5.96 -3.611787902e-02 -3.611787902e-02 5.98 -3.477492694e-02 -3.477492694e-02 6.00 -3.345370070e-02 -3.345370070e-02