# 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 = PbW2Zr # 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 5.213935426e+02 5.213935426e+02 1.30 4.853759576e+02 4.853759576e+02 1.32 4.519588187e+02 4.519588187e+02 1.34 4.209269784e+02 4.209269784e+02 1.36 3.920886580e+02 3.920886580e+02 1.38 3.652725023e+02 3.652725023e+02 1.40 3.403245766e+02 3.403245766e+02 1.42 3.171050955e+02 3.171050955e+02 1.44 2.954852070e+02 2.954852070e+02 1.46 2.753450851e+02 2.753450851e+02 1.48 2.565736500e+02 2.565736500e+02 1.50 2.390690009e+02 2.390690009e+02 1.52 2.227385647e+02 2.227385647e+02 1.54 2.074987373e+02 2.074987373e+02 1.56 1.932739361e+02 1.932739361e+02 1.58 1.799954989e+02 1.799954989e+02 1.60 1.676004816e+02 1.676004816e+02 1.62 1.560304855e+02 1.560304855e+02 1.64 1.452305556e+02 1.452305556e+02 1.66 1.351483966e+02 1.351483966e+02 1.68 1.257339778e+02 1.257339778e+02 1.70 1.169395633e+02 1.169395633e+02 1.72 1.087201608e+02 1.087201608e+02 1.74 1.010342190e+02 1.010342190e+02 1.76 9.384427520e+01 9.384427520e+01 1.78 8.711727241e+01 8.711727241e+01 1.80 8.082432928e+01 8.082432928e+01 1.82 7.494003533e+01 7.494003533e+01 1.84 6.944134122e+01 6.944134122e+01 1.86 6.430649337e+01 6.430649337e+01 1.88 5.951427421e+01 5.951427421e+01 1.90 5.504373383e+01 5.504373383e+01 1.92 5.087423596e+01 5.087423596e+01 1.94 4.698572322e+01 4.698572322e+01 1.96 4.335911476e+01 4.335911476e+01 1.98 3.997727501e+01 3.997727501e+01 2.00 3.682329700e+01 3.682329700e+01 2.02 3.388236362e+01 3.388236362e+01 2.04 3.114307060e+01 3.114307060e+01 2.06 2.859059947e+01 2.859059947e+01 2.08 2.621076538e+01 2.621076538e+01 2.10 2.399021301e+01 2.399021301e+01 2.12 2.191645904e+01 2.191645904e+01 2.14 1.997796640e+01 1.997796640e+01 2.16 1.816425202e+01 1.816425202e+01 2.18 1.646594707e+01 1.646594707e+01 2.20 1.487478086e+01 1.487478086e+01 2.22 1.338347801e+01 1.338347801e+01 2.24 1.198561296e+01 1.198561296e+01 2.26 1.067545513e+01 1.067545513e+01 2.28 9.447839476e+00 9.447839476e+00 2.30 8.298046740e+00 8.298046740e+00 2.32 7.221702156e+00 7.221702156e+00 2.34 6.214729619e+00 6.214729619e+00 2.36 5.273276451e+00 5.273276451e+00 2.38 4.393685692e+00 4.393685692e+00 2.40 3.572479464e+00 3.572479464e+00 2.42 2.806350176e+00 2.806350176e+00 2.44 2.092159563e+00 2.092159563e+00 2.46 1.426929525e+00 1.426929525e+00 2.48 8.078329261e-01 8.078329261e-01 2.50 2.321854681e-01 2.321854681e-01 2.52 -3.025543374e-01 -3.025543374e-01 2.54 -7.987747564e-01 -7.987747564e-01 2.56 -1.258694975e+00 -1.258694975e+00 2.58 -1.684353765e+00 -1.684353765e+00 2.60 -2.077611302e+00 -2.077611302e+00 2.62 -2.440163461e+00 -2.440163461e+00 2.64 -2.773583182e+00 -2.773583182e+00 2.66 -3.079318318e+00 -3.079318318e+00 2.68 -3.358624107e+00 -3.358624107e+00 2.70 -3.612930398e+00 -3.612930398e+00 2.72 -3.843690807e+00 -3.843690807e+00 2.74 -4.052322707e+00 -4.052322707e+00 2.76 -4.240211158e+00 -4.240211158e+00 2.78 -4.408706406e+00 -4.408706406e+00 2.80 -4.559134854e+00 -4.559134854e+00 2.82 -4.692822271e+00 -4.692822271e+00 2.84 -4.810786026e+00 -4.810786026e+00 2.86 -4.913518933e+00 -4.913518933e+00 2.88 -5.001477066e+00 -5.001477066e+00 2.90 -5.075180955e+00 -5.075180955e+00 2.92 -5.135214872e+00 -5.135214872e+00 2.94 -5.182227197e+00 -5.182227197e+00 2.96 -5.216928461e+00 -5.216928461e+00 2.98 -5.240021226e+00 -5.240021226e+00 3.00 -5.252153097e+00 -5.252153097e+00 3.02 -5.254017936e+00 -5.254017936e+00 3.04 -5.246341632e+00 -5.246341632e+00 3.06 -5.229856042e+00 -5.229856042e+00 3.08 -5.205266863e+00 -5.205266863e+00 3.10 -5.173233667e+00 -5.173233667e+00 3.12 -5.134348823e+00 -5.134348823e+00 3.14 -5.089144749e+00 -5.089144749e+00 3.16 -5.038067161e+00 -5.038067161e+00 3.18 -4.981498032e+00 -4.981498032e+00 3.20 -4.919760018e+00 -4.919760018e+00 3.22 -4.853128584e+00 -4.853128584e+00 3.24 -4.781845586e+00 -4.781845586e+00 3.26 -4.706133155e+00 -4.706133155e+00 3.28 -4.626206766e+00 -4.626206766e+00 3.30 -4.542286473e+00 -4.542286473e+00 3.32 -4.454605666e+00 -4.454605666e+00 3.34 -4.363417525e+00 -4.363417525e+00 3.36 -4.269000101e+00 -4.269000101e+00 3.38 -4.171661282e+00 -4.171661282e+00 3.40 -4.071743356e+00 -4.071743356e+00 3.42 -3.969632729e+00 -3.969632729e+00 3.44 -3.865757485e+00 -3.865757485e+00 3.46 -3.760633157e+00 -3.760633157e+00 3.48 -3.654781621e+00 -3.654781621e+00 3.50 -3.548584646e+00 -3.548584646e+00 3.52 -3.442488069e+00 -3.442488069e+00 3.54 -3.336983600e+00 -3.336983600e+00 3.56 -3.232550137e+00 -3.232550137e+00 3.58 -3.129613370e+00 -3.129613370e+00 3.60 -3.028581201e+00 -3.028581201e+00 3.62 -2.929824052e+00 -2.929824052e+00 3.64 -2.833655346e+00 -2.833655346e+00 3.66 -2.740320137e+00 -2.740320137e+00 3.68 -2.649991415e+00 -2.649991415e+00 3.70 -2.562772795e+00 -2.562772795e+00 3.72 -2.478705880e+00 -2.478705880e+00 3.74 -2.397780520e+00 -2.397780520e+00 3.76 -2.319946337e+00 -2.319946337e+00 3.78 -2.245124221e+00 -2.245124221e+00 3.80 -2.173216819e+00 -2.173216819e+00 3.82 -2.104117301e+00 -2.104117301e+00 3.84 -2.037716012e+00 -2.037716012e+00 3.86 -1.973904790e+00 -1.973904790e+00 3.88 -1.912579037e+00 -1.912579037e+00 3.90 -1.853637897e+00 -1.853637897e+00 3.92 -1.796981082e+00 -1.796981082e+00 3.94 -1.742515789e+00 -1.742515789e+00 3.96 -1.690141615e+00 -1.690141615e+00 3.98 -1.639759277e+00 -1.639759277e+00 4.00 -1.591268135e+00 -1.591268135e+00 4.02 -1.544567104e+00 -1.544567104e+00 4.04 -1.499556128e+00 -1.499556128e+00 4.06 -1.456137850e+00 -1.456137850e+00 4.08 -1.414219189e+00 -1.414219189e+00 4.10 -1.373705720e+00 -1.373705720e+00 4.12 -1.334531262e+00 -1.334531262e+00 4.14 -1.296612906e+00 -1.296612906e+00 4.16 -1.259882987e+00 -1.259882987e+00 4.18 -1.224280342e+00 -1.224280342e+00 4.20 -1.189749866e+00 -1.189749866e+00 4.22 -1.156241967e+00 -1.156241967e+00 4.24 -1.123711961e+00 -1.123711961e+00 4.26 -1.092119483e+00 -1.092119483e+00 4.28 -1.061427912e+00 -1.061427912e+00 4.30 -1.031603855e+00 -1.031603855e+00 4.32 -1.002616686e+00 -1.002616686e+00 4.34 -9.744381329e-01 -9.744381329e-01 4.36 -9.470419381e-01 -9.470419381e-01 4.38 -9.204035579e-01 -9.204035579e-01 4.40 -8.944999164e-01 -8.944999164e-01 4.42 -8.693091973e-01 -8.693091973e-01 4.44 -8.448106726e-01 -8.448106726e-01 4.46 -8.209845598e-01 -8.209845598e-01 4.48 -7.978119045e-01 -7.978119045e-01 4.50 -7.752744826e-01 -7.752744826e-01 4.52 -7.533547198e-01 -7.533547198e-01 4.54 -7.320356241e-01 -7.320356241e-01 4.56 -7.113007291e-01 -7.113007291e-01 4.58 -6.911340465e-01 -6.911340465e-01 4.60 -6.715200253e-01 -6.715200253e-01 4.62 -6.524435165e-01 -6.524435165e-01 4.64 -6.338897424e-01 -6.338897424e-01 4.66 -6.158442696e-01 -6.158442696e-01 4.68 -5.982929848e-01 -5.982929848e-01 4.70 -5.812220731e-01 -5.812220731e-01 4.72 -5.646179978e-01 -5.646179978e-01 4.74 -5.484674827e-01 -5.484674827e-01 4.76 -5.327574952e-01 -5.327574952e-01 4.78 -5.174752311e-01 -5.174752311e-01 4.80 -5.026042027e-01 -5.026042027e-01 4.82 -4.881404731e-01 -4.881404731e-01 4.84 -4.740671822e-01 -4.740671822e-01 4.86 -4.603723377e-01 -4.603723377e-01 4.88 -4.470441208e-01 -4.470441208e-01 4.90 -4.340708837e-01 -4.340708837e-01 4.92 -4.214411500e-01 -4.214411500e-01 4.94 -4.091436187e-01 -4.091436187e-01 4.96 -3.971671728e-01 -3.971671728e-01 4.98 -3.855008928e-01 -3.855008928e-01 5.00 -3.741340756e-01 -3.741340756e-01 5.02 -3.630562586e-01 -3.630562586e-01 5.04 -3.522572505e-01 -3.522572505e-01 5.06 -3.417271673e-01 -3.417271673e-01 5.08 -3.314564730e-01 -3.314564730e-01 5.10 -3.214360249e-01 -3.214360249e-01 5.12 -3.116571220e-01 -3.116571220e-01 5.14 -3.021115533e-01 -3.021115533e-01 5.16 -2.927916465e-01 -2.927916465e-01 5.18 -2.836903129e-01 -2.836903129e-01 5.20 -2.748010884e-01 -2.748010884e-01 5.22 -2.661181689e-01 -2.661181689e-01 5.24 -2.576364400e-01 -2.576364400e-01 5.26 -2.493514851e-01 -2.493514851e-01 5.28 -2.412595420e-01 -2.412595420e-01 5.30 -2.333577154e-01 -2.333577154e-01 5.32 -2.256438862e-01 -2.256438862e-01 5.34 -2.181166901e-01 -2.181166901e-01 5.36 -2.107755085e-01 -2.107755085e-01 5.38 -2.036204402e-01 -2.036204402e-01 5.40 -1.966522462e-01 -1.966522462e-01 5.42 -1.898722556e-01 -1.898722556e-01 5.44 -1.832822245e-01 -1.832822245e-01 5.46 -1.768841471e-01 -1.768841471e-01 5.48 -1.706800194e-01 -1.706800194e-01 5.50 -1.646715673e-01 -1.646715673e-01 5.52 -1.588599621e-01 -1.588599621e-01 5.54 -1.532455442e-01 -1.532455442e-01 5.56 -1.478275836e-01 -1.478275836e-01 5.58 -1.426040996e-01 -1.426040996e-01 5.60 -1.375714271e-01 -1.375714271e-01 5.62 -1.327246904e-01 -1.327246904e-01 5.64 -1.280581785e-01 -1.280581785e-01 5.66 -1.235648878e-01 -1.235648878e-01 5.68 -1.192367294e-01 -1.192367294e-01 5.70 -1.150647707e-01 -1.150647707e-01 5.72 -1.110394900e-01 -1.110394900e-01 5.74 -1.071510233e-01 -1.071510233e-01 5.76 -1.033893922e-01 -1.033893922e-01 5.78 -9.974470392e-02 -9.974470392e-02 5.80 -9.620731820e-02 -9.620731820e-02 5.82 -9.276798353e-02 -9.276798353e-02 5.84 -8.941794305e-02 -8.941794305e-02 5.86 -8.614901484e-02 -8.614901484e-02 5.88 -8.295365077e-02 -8.295365077e-02 5.90 -7.982497837e-02 -7.982497837e-02 5.92 -7.675682922e-02 -7.675682922e-02 5.94 -7.374375728e-02 -7.374375728e-02 5.96 -7.078104931e-02 -7.078104931e-02 5.98 -6.786472918e-02 -6.786472918e-02 6.00 -6.499155744e-02 -6.499155744e-02