# 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 = Al2WZr # 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 2.228823136e+02 2.228823136e+02 1.30 2.071043500e+02 2.071043500e+02 1.32 1.924724866e+02 1.924724866e+02 1.34 1.788954591e+02 1.788954591e+02 1.36 1.662899036e+02 1.662899036e+02 1.38 1.545805379e+02 1.545805379e+02 1.40 1.436993695e+02 1.436993695e+02 1.42 1.335837323e+02 1.335837323e+02 1.44 1.241743200e+02 1.241743200e+02 1.46 1.154143697e+02 1.154143697e+02 1.48 1.072505509e+02 1.072505509e+02 1.50 9.963487786e+01 9.963487786e+01 1.52 9.252605827e+01 9.252605827e+01 1.54 8.588912722e+01 8.588912722e+01 1.56 7.969390807e+01 7.969390807e+01 1.58 7.391328903e+01 7.391328903e+01 1.60 6.852186590e+01 6.852186590e+01 1.62 6.349496645e+01 6.349496645e+01 1.64 5.880811366e+01 5.880811366e+01 1.66 5.443694843e+01 5.443694843e+01 1.68 5.035766914e+01 5.035766914e+01 1.70 4.654784789e+01 4.654784789e+01 1.72 4.298710775e+01 4.298710775e+01 1.74 3.965735185e+01 3.965735185e+01 1.76 3.654254852e+01 3.654254852e+01 1.78 3.362836916e+01 3.362836916e+01 1.80 3.090186914e+01 3.090186914e+01 1.82 2.835125703e+01 2.835125703e+01 1.84 2.596634183e+01 2.596634183e+01 1.86 2.373773627e+01 2.373773627e+01 1.88 2.165612463e+01 2.165612463e+01 1.90 1.971278409e+01 1.971278409e+01 1.92 1.789941844e+01 1.789941844e+01 1.94 1.620961467e+01 1.620961467e+01 1.96 1.463724591e+01 1.463724591e+01 1.98 1.317419132e+01 1.317419132e+01 2.00 1.181263726e+01 1.181263726e+01 2.02 1.054524190e+01 1.054524190e+01 2.04 9.365240287e+00 9.365240287e+00 2.06 8.266436270e+00 8.266436270e+00 2.08 7.243088119e+00 7.243088119e+00 2.10 6.289780997e+00 6.289780997e+00 2.12 5.401335817e+00 5.401335817e+00 2.14 4.572805697e+00 4.572805697e+00 2.16 3.799539218e+00 3.799539218e+00 2.18 3.077258592e+00 3.077258592e+00 2.20 2.402125505e+00 2.402125505e+00 2.22 1.770753673e+00 1.770753673e+00 2.24 1.180188815e+00 1.180188815e+00 2.26 6.278678012e-01 6.278678012e-01 2.28 1.115574365e-01 1.115574365e-01 2.30 -3.706771688e-01 -3.706771688e-01 2.32 -8.205414022e-01 -8.205414022e-01 2.34 -1.239551009e+00 -1.239551009e+00 2.36 -1.629087371e+00 -1.629087371e+00 2.38 -1.990441550e+00 -1.990441550e+00 2.40 -2.324853721e+00 -2.324853721e+00 2.42 -2.633548995e+00 -2.633548995e+00 2.44 -2.917756238e+00 -2.917756238e+00 2.46 -3.178722002e+00 -3.178722002e+00 2.48 -3.417707341e+00 -3.417707341e+00 2.50 -3.635977586e+00 -3.635977586e+00 2.52 -3.834740934e+00 -3.834740934e+00 2.54 -4.015235185e+00 -4.015235185e+00 2.56 -4.178774465e+00 -4.178774465e+00 2.58 -4.326661103e+00 -4.326661103e+00 2.60 -4.460177703e+00 -4.460177703e+00 2.62 -4.580571968e+00 -4.580571968e+00 2.64 -4.689064629e+00 -4.689064629e+00 2.66 -4.786615395e+00 -4.786615395e+00 2.68 -4.874018168e+00 -4.874018168e+00 2.70 -4.951815692e+00 -4.951815692e+00 2.72 -5.020330465e+00 -5.020330465e+00 2.74 -5.079840743e+00 -5.079840743e+00 2.76 -5.130608194e+00 -5.130608194e+00 2.78 -5.172837123e+00 -5.172837123e+00 2.80 -5.206592938e+00 -5.206592938e+00 2.82 -5.231957302e+00 -5.231957302e+00 2.84 -5.249063751e+00 -5.249063751e+00 2.86 -5.258088411e+00 -5.258088411e+00 2.88 -5.259246220e+00 -5.259246220e+00 2.90 -5.252790961e+00 -5.252790961e+00 2.92 -5.239018524e+00 -5.239018524e+00 2.94 -5.218272071e+00 -5.218272071e+00 2.96 -5.190947265e+00 -5.190947265e+00 2.98 -5.157495400e+00 -5.157495400e+00 3.00 -5.118422301e+00 -5.118422301e+00 3.02 -5.074281339e+00 -5.074281339e+00 3.04 -5.025656875e+00 -5.025656875e+00 3.06 -4.973157232e+00 -4.973157232e+00 3.08 -4.917929654e+00 -4.917929654e+00 3.10 -4.861473231e+00 -4.861473231e+00 3.12 -4.803801366e+00 -4.803801366e+00 3.14 -4.744893787e+00 -4.744893787e+00 3.16 -4.684727248e+00 -4.684727248e+00 3.18 -4.623273187e+00 -4.623273187e+00 3.20 -4.560491865e+00 -4.560491865e+00 3.22 -4.496332240e+00 -4.496332240e+00 3.24 -4.430738240e+00 -4.430738240e+00 3.26 -4.363678412e+00 -4.363678412e+00 3.28 -4.295140567e+00 -4.295140567e+00 3.30 -4.225122921e+00 -4.225122921e+00 3.32 -4.153642695e+00 -4.153642695e+00 3.34 -4.080742573e+00 -4.080742573e+00 3.36 -4.006494726e+00 -4.006494726e+00 3.38 -3.931002824e+00 -3.931002824e+00 3.40 -3.854401622e+00 -3.854401622e+00 3.42 -3.776860806e+00 -3.776860806e+00 3.44 -3.698576629e+00 -3.698576629e+00 3.46 -3.619773639e+00 -3.619773639e+00 3.48 -3.540698280e+00 -3.540698280e+00 3.50 -3.461611675e+00 -3.461611675e+00 3.52 -3.382780635e+00 -3.382780635e+00 3.54 -3.304467661e+00 -3.304467661e+00 3.56 -3.226920956e+00 -3.226920956e+00 3.58 -3.150365484e+00 -3.150365484e+00 3.60 -3.074995900e+00 -3.074995900e+00 3.62 -3.000971882e+00 -3.000971882e+00 3.64 -2.928416021e+00 -2.928416021e+00 3.66 -2.857414137e+00 -2.857414137e+00 3.68 -2.788017637e+00 -2.788017637e+00 3.70 -2.720247451e+00 -2.720247451e+00 3.72 -2.654099015e+00 -2.654099015e+00 3.74 -2.589547825e+00 -2.589547825e+00 3.76 -2.526555111e+00 -2.526555111e+00 3.78 -2.465073264e+00 -2.465073264e+00 3.80 -2.405050629e+00 -2.405050629e+00 3.82 -2.346435381e+00 -2.346435381e+00 3.84 -2.289178175e+00 -2.289178175e+00 3.86 -2.233233432e+00 -2.233233432e+00 3.88 -2.178559235e+00 -2.178559235e+00 3.90 -2.125116088e+00 -2.125116088e+00 3.92 -2.072863111e+00 -2.072863111e+00 3.94 -2.021763643e+00 -2.021763643e+00 3.96 -1.971771321e+00 -1.971771321e+00 3.98 -1.922837791e+00 -1.922837791e+00 4.00 -1.874910456e+00 -1.874910456e+00 4.02 -1.827933394e+00 -1.827933394e+00 4.04 -1.781848917e+00 -1.781848917e+00 4.06 -1.736599459e+00 -1.736599459e+00 4.08 -1.692129547e+00 -1.692129547e+00 4.10 -1.648383620e+00 -1.648383620e+00 4.12 -1.605324836e+00 -1.605324836e+00 4.14 -1.562909744e+00 -1.562909744e+00 4.16 -1.521108658e+00 -1.521108658e+00 4.18 -1.479901892e+00 -1.479901892e+00 4.20 -1.439280809e+00 -1.439280809e+00 4.22 -1.399248532e+00 -1.399248532e+00 4.24 -1.359820165e+00 -1.359820165e+00 4.26 -1.321022350e+00 -1.321022350e+00 4.28 -1.282892021e+00 -1.282892021e+00 4.30 -1.245474288e+00 -1.245474288e+00 4.32 -1.208819508e+00 -1.208819508e+00 4.34 -1.172979720e+00 -1.172979720e+00 4.36 -1.138004761e+00 -1.138004761e+00 4.38 -1.103938447e+00 -1.103938447e+00 4.40 -1.070815207e+00 -1.070815207e+00 4.42 -1.038657505e+00 -1.038657505e+00 4.44 -1.007474265e+00 -1.007474265e+00 4.46 -9.772603439e-01 -9.772603439e-01 4.48 -9.479969845e-01 -9.479969845e-01 4.50 -9.196530475e-01 -9.196530475e-01 4.52 -8.921867815e-01 -8.921867815e-01 4.54 -8.655478767e-01 -8.655478767e-01 4.56 -8.396795818e-01 -8.396795818e-01 4.58 -8.145207223e-01 -8.145207223e-01 4.60 -7.900075213e-01 -7.900075213e-01 4.62 -7.660751825e-01 -7.660751825e-01 4.64 -7.426592441e-01 -7.426592441e-01 4.66 -7.196967415e-01 -7.196967415e-01 4.68 -6.971272378e-01 -6.971272378e-01 4.70 -6.748937848e-01 -6.748937848e-01 4.72 -6.529438714e-01 -6.529438714e-01 4.74 -6.312304057e-01 -6.312304057e-01 4.76 -6.097127566e-01 -6.097127566e-01 4.78 -5.883578559e-01 -5.883578559e-01 4.80 -5.671382864e-01 -5.671382864e-01 4.82 -5.460461091e-01 -5.460461091e-01 4.84 -5.250739461e-01 -5.250739461e-01 4.86 -5.042297044e-01 -5.042297044e-01 4.88 -4.835333524e-01 -4.835333524e-01 4.90 -4.630168938e-01 -4.630168938e-01 4.92 -4.427237547e-01 -4.427237547e-01 4.94 -4.227075107e-01 -4.227075107e-01 4.96 -4.030299380e-01 -4.030299380e-01 4.98 -3.837584479e-01 -3.837584479e-01 5.00 -3.649630411e-01 -3.649630411e-01 5.02 -3.467129902e-01 -3.467129902e-01 5.04 -3.290735042e-01 -3.290735042e-01 5.06 -3.121026442e-01 -3.121026442e-01 5.08 -2.958487374e-01 -2.958487374e-01 5.10 -2.803484786e-01 -2.803484786e-01 5.12 -2.656258285e-01 -2.656258285e-01 5.14 -2.516917308e-01 -2.516917308e-01 5.16 -2.385445856e-01 -2.385445856e-01 5.18 -2.261713548e-01 -2.261713548e-01 5.20 -2.145491339e-01 -2.145491339e-01 5.22 -2.036470152e-01 -2.036470152e-01 5.24 -1.934280729e-01 -1.934280729e-01 5.26 -1.838513299e-01 -1.838513299e-01 5.28 -1.748735942e-01 -1.748735942e-01 5.30 -1.664510898e-01 -1.664510898e-01 5.32 -1.585408403e-01 -1.585408403e-01 5.34 -1.511017808e-01 -1.511017808e-01 5.36 -1.440955961e-01 -1.440955961e-01 5.38 -1.374871025e-01 -1.374871025e-01 5.40 -1.312450099e-01 -1.312450099e-01 5.42 -1.253419021e-01 -1.253419021e-01 5.44 -1.197539558e-01 -1.197539558e-01 5.46 -1.144607073e-01 -1.144607073e-01 5.48 -1.094446735e-01 -1.094446735e-01 5.50 -1.046908721e-01 -1.046908721e-01 5.52 -1.001862852e-01 -1.001862852e-01 5.54 -9.591931583e-02 -9.591931583e-02 5.56 -9.187927883e-02 -9.187927883e-02 5.58 -8.805596196e-02 -8.805596196e-02 5.60 -8.443928182e-02 -8.443928182e-02 5.62 -8.101902825e-02 -8.101902825e-02 5.64 -7.778460228e-02 -7.778460228e-02 5.66 -7.472536709e-02 -7.472536709e-02 5.68 -7.183046884e-02 -7.183046884e-02 5.70 -6.908886179e-02 -6.908886179e-02 5.72 -6.648944296e-02 -6.648944296e-02 5.74 -6.402119402e-02 -6.402119402e-02 5.76 -6.167331502e-02 -6.167331502e-02 5.78 -5.943533983e-02 -5.943533983e-02 5.80 -5.729722748e-02 -5.729722748e-02 5.82 -5.524942808e-02 -5.524942808e-02 5.84 -5.328292458e-02 -5.328292458e-02 5.86 -5.138925375e-02 -5.138925375e-02 5.88 -4.956051079e-02 -4.956051079e-02 5.90 -4.778934231e-02 -4.778934231e-02 5.92 -4.606893247e-02 -4.606893247e-02 5.94 -4.439298648e-02 -4.439298648e-02 5.96 -4.275571511e-02 -4.275571511e-02 5.98 -4.115182336e-02 -4.115182336e-02 6.00 -3.957650702e-02 -3.957650702e-02