# 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 = AuMg2Ta # 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 4.497094403e+02 4.497094403e+02 1.30 4.173070833e+02 4.173070833e+02 1.32 3.872895114e+02 3.872895114e+02 1.34 3.594614627e+02 3.594614627e+02 1.36 3.336477573e+02 3.336477573e+02 1.38 3.096912987e+02 3.096912987e+02 1.40 2.874504759e+02 2.874504759e+02 1.42 2.667967813e+02 2.667967813e+02 1.44 2.476130550e+02 2.476130550e+02 1.46 2.297921306e+02 2.297921306e+02 1.48 2.132355403e+02 2.132355403e+02 1.50 1.978521477e+02 1.978521477e+02 1.52 1.835568021e+02 1.835568021e+02 1.54 1.702693365e+02 1.702693365e+02 1.56 1.579142845e+02 1.579142845e+02 1.58 1.464211917e+02 1.464211917e+02 1.60 1.357250308e+02 1.357250308e+02 1.62 1.257662763e+02 1.257662763e+02 1.64 1.164905829e+02 1.164905829e+02 1.66 1.078482496e+02 1.078482496e+02 1.68 9.979371974e+01 9.979371974e+01 1.70 9.228522361e+01 9.228522361e+01 1.72 8.528776549e+01 8.528776549e+01 1.74 7.876894037e+01 7.876894037e+01 1.76 7.270531528e+01 7.270531528e+01 1.78 6.706944499e+01 6.706944499e+01 1.80 6.183212996e+01 6.183212996e+01 1.82 5.696599112e+01 5.696599112e+01 1.84 5.244587860e+01 5.244587860e+01 1.86 4.824856093e+01 4.824856093e+01 1.88 4.435250703e+01 4.435250703e+01 1.90 4.073766525e+01 4.073766525e+01 1.92 3.738517720e+01 3.738517720e+01 1.94 3.427708713e+01 3.427708713e+01 1.96 3.139613951e+01 3.139613951e+01 1.98 2.872571661e+01 2.872571661e+01 2.00 2.624992625e+01 2.624992625e+01 2.02 2.395378876e+01 2.395378876e+01 2.04 2.182344108e+01 2.182344108e+01 2.06 1.984627540e+01 1.984627540e+01 2.08 1.801096635e+01 1.801096635e+01 2.10 1.630739310e+01 1.630739310e+01 2.12 1.472648871e+01 1.472648871e+01 2.14 1.326006671e+01 1.326006671e+01 2.16 1.190065762e+01 1.190065762e+01 2.18 1.064137195e+01 1.064137195e+01 2.20 9.475795783e+00 9.475795783e+00 2.22 8.397910228e+00 8.397910228e+00 2.24 7.402032661e+00 7.402032661e+00 2.26 6.482772735e+00 6.482772735e+00 2.28 5.634996448e+00 5.634996448e+00 2.30 4.853801597e+00 4.853801597e+00 2.32 4.134496428e+00 4.134496428e+00 2.34 3.472607086e+00 3.472607086e+00 2.36 2.864006703e+00 2.864006703e+00 2.38 2.304489978e+00 2.304489978e+00 2.40 1.790055490e+00 1.790055490e+00 2.42 1.317040167e+00 1.317040167e+00 2.44 8.821270186e-01 8.821270186e-01 2.46 4.823402268e-01 4.823402268e-01 2.48 1.152549075e-01 1.152549075e-01 2.50 -2.211199788e-01 -2.211199788e-01 2.52 -5.287160346e-01 -5.287160346e-01 2.54 -8.094078292e-01 -8.094078292e-01 2.56 -1.065000150e+00 -1.065000150e+00 2.58 -1.297219386e+00 -1.297219386e+00 2.60 -1.507706494e+00 -1.507706494e+00 2.62 -1.698009850e+00 -1.698009850e+00 2.64 -1.869579609e+00 -1.869579609e+00 2.66 -2.023761138e+00 -2.023761138e+00 2.68 -2.161795155e+00 -2.161795155e+00 2.70 -2.284821218e+00 -2.284821218e+00 2.72 -2.393885831e+00 -2.393885831e+00 2.74 -2.489983340e+00 -2.489983340e+00 2.76 -2.574051652e+00 -2.574051652e+00 2.78 -2.646844951e+00 -2.646844951e+00 2.80 -2.709073029e+00 -2.709073029e+00 2.82 -2.761409742e+00 -2.761409742e+00 2.84 -2.804495837e+00 -2.804495837e+00 2.86 -2.838940053e+00 -2.838940053e+00 2.88 -2.865320511e+00 -2.865320511e+00 2.90 -2.884185281e+00 -2.884185281e+00 2.92 -2.896047755e+00 -2.896047755e+00 2.94 -2.901393123e+00 -2.901393123e+00 2.96 -2.900683525e+00 -2.900683525e+00 2.98 -2.894359295e+00 -2.894359295e+00 3.00 -2.882839941e+00 -2.882839941e+00 3.02 -2.866524723e+00 -2.866524723e+00 3.04 -2.845792363e+00 -2.845792363e+00 3.06 -2.821001427e+00 -2.821001427e+00 3.08 -2.792487515e+00 -2.792487515e+00 3.10 -2.760563559e+00 -2.760563559e+00 3.12 -2.725519057e+00 -2.725519057e+00 3.14 -2.687623582e+00 -2.687623582e+00 3.16 -2.647127715e+00 -2.647127715e+00 3.18 -2.604271061e+00 -2.604271061e+00 3.20 -2.559289121e+00 -2.559289121e+00 3.22 -2.512421246e+00 -2.512421246e+00 3.24 -2.463917801e+00 -2.463917801e+00 3.26 -2.414045203e+00 -2.414045203e+00 3.28 -2.363087636e+00 -2.363087636e+00 3.30 -2.311344667e+00 -2.311344667e+00 3.32 -2.259124694e+00 -2.259124694e+00 3.34 -2.206734977e+00 -2.206734977e+00 3.36 -2.154469709e+00 -2.154469709e+00 3.38 -2.102597985e+00 -2.102597985e+00 3.40 -2.051353392e+00 -2.051353392e+00 3.42 -2.000926904e+00 -2.000926904e+00 3.44 -1.951473127e+00 -1.951473127e+00 3.46 -1.903119703e+00 -1.903119703e+00 3.48 -1.855886343e+00 -1.855886343e+00 3.50 -1.809752833e+00 -1.809752833e+00 3.52 -1.764671948e+00 -1.764671948e+00 3.54 -1.720575863e+00 -1.720575863e+00 3.56 -1.677382750e+00 -1.677382750e+00 3.58 -1.635003075e+00 -1.635003075e+00 3.60 -1.593325162e+00 -1.593325162e+00 3.62 -1.552156904e+00 -1.552156904e+00 3.64 -1.511299758e+00 -1.511299758e+00 3.66 -1.470577437e+00 -1.470577437e+00 3.68 -1.429839206e+00 -1.429839206e+00 3.70 -1.388963469e+00 -1.388963469e+00 3.72 -1.347861375e+00 -1.347861375e+00 3.74 -1.306480158e+00 -1.306480158e+00 3.76 -1.264805821e+00 -1.264805821e+00 3.78 -1.222864677e+00 -1.222864677e+00 3.80 -1.180723256e+00 -1.180723256e+00 3.82 -1.138486148e+00 -1.138486148e+00 3.84 -1.096291558e+00 -1.096291558e+00 3.86 -1.054304597e+00 -1.054304597e+00 3.88 -1.012708658e+00 -1.012708658e+00 3.90 -9.716955278e-01 -9.716955278e-01 3.92 -9.314549361e-01 -9.314549361e-01 3.94 -8.921655403e-01 -8.921655403e-01 3.96 -8.539855056e-01 -8.539855056e-01 3.98 -8.170470749e-01 -8.170470749e-01 4.00 -7.814525561e-01 -7.814525561e-01 4.02 -7.472729494e-01 -7.472729494e-01 4.04 -7.145487453e-01 -7.145487453e-01 4.06 -6.832924487e-01 -6.832924487e-01 4.08 -6.534923058e-01 -6.534923058e-01 4.10 -6.251160506e-01 -6.251160506e-01 4.12 -5.981183376e-01 -5.981183376e-01 4.14 -5.724408412e-01 -5.724408412e-01 4.16 -5.480195144e-01 -5.480195144e-01 4.18 -5.247873467e-01 -5.247873467e-01 4.20 -5.026773200e-01 -5.026773200e-01 4.22 -4.816246931e-01 -4.816246931e-01 4.24 -4.615686145e-01 -4.615686145e-01 4.26 -4.424530940e-01 -4.424530940e-01 4.28 -4.242273875e-01 -4.242273875e-01 4.30 -4.068458722e-01 -4.068458722e-01 4.32 -3.902675148e-01 -3.902675148e-01 4.34 -3.744550528e-01 -3.744550528e-01 4.36 -3.593740259e-01 -3.593740259e-01 4.38 -3.449917900e-01 -3.449917900e-01 4.40 -3.312766344e-01 -3.312766344e-01 4.42 -3.181970904e-01 -3.181970904e-01 4.44 -3.057214802e-01 -3.057214802e-01 4.46 -2.938177141e-01 -2.938177141e-01 4.48 -2.824533090e-01 -2.824533090e-01 4.50 -2.715955756e-01 -2.715955756e-01 4.52 -2.612119138e-01 -2.612119138e-01 4.54 -2.512701561e-01 -2.512701561e-01 4.56 -2.417389101e-01 -2.417389101e-01 4.58 -2.325878663e-01 -2.325878663e-01 4.60 -2.237880532e-01 -2.237880532e-01 4.62 -2.153120341e-01 -2.153120341e-01 4.64 -2.071340516e-01 -2.071340516e-01 4.66 -1.992301305e-01 -1.992301305e-01 4.68 -1.915781529e-01 -1.915781529e-01 4.70 -1.841579197e-01 -1.841579197e-01 4.72 -1.769512093e-01 -1.769512093e-01 4.74 -1.699418428e-01 -1.699418428e-01 4.76 -1.631157586e-01 -1.631157586e-01 4.78 -1.564610962e-01 -1.564610962e-01 4.80 -1.499678874e-01 -1.499678874e-01 4.82 -1.436297835e-01 -1.436297835e-01 4.84 -1.374415210e-01 -1.374415210e-01 4.86 -1.314007476e-01 -1.314007476e-01 4.88 -1.255074938e-01 -1.255074938e-01 4.90 -1.197640404e-01 -1.197640404e-01 4.92 -1.141746912e-01 -1.141746912e-01 4.94 -1.087454403e-01 -1.087454403e-01 4.96 -1.034835404e-01 -1.034835404e-01 4.98 -9.839698535e-02 -9.839698535e-02 5.00 -9.349393632e-02 -9.349393632e-02 5.02 -8.878212967e-02 -8.878212967e-02 5.04 -8.426831274e-02 -8.426831274e-02 5.06 -7.995774818e-02 -7.995774818e-02 5.08 -7.585381011e-02 -7.585381011e-02 5.10 -7.195774271e-02 -7.195774271e-02 5.12 -6.826855402e-02 -6.826855402e-02 5.14 -6.478305152e-02 -6.478305152e-02 5.16 -6.149600454e-02 -6.149600454e-02 5.18 -5.840040717e-02 -5.840040717e-02 5.20 -5.548738535e-02 -5.548738535e-02 5.22 -5.274681662e-02 -5.274681662e-02 5.24 -5.016898526e-02 -5.016898526e-02 5.26 -4.774368231e-02 -4.774368231e-02 5.28 -4.546053391e-02 -4.546053391e-02 5.30 -4.330931668e-02 -4.330931668e-02 5.32 -4.128021086e-02 -4.128021086e-02 5.34 -3.936399091e-02 -3.936399091e-02 5.36 -3.755215651e-02 -3.755215651e-02 5.38 -3.583700920e-02 -3.583700920e-02 5.40 -3.421167946e-02 -3.421167946e-02 5.42 -3.267011119e-02 -3.267011119e-02 5.44 -3.120701039e-02 -3.120701039e-02 5.46 -2.981776556e-02 -2.981776556e-02 5.48 -2.849834803e-02 -2.849834803e-02 5.50 -2.724520086e-02 -2.724520086e-02 5.52 -2.605512534e-02 -2.605512534e-02 5.54 -2.492517350e-02 -2.492517350e-02 5.56 -2.385255366e-02 -2.385255366e-02 5.58 -2.283455453e-02 -2.283455453e-02 5.60 -2.186849046e-02 -2.186849046e-02 5.62 -2.095166838e-02 -2.095166838e-02 5.64 -2.008137449e-02 -2.008137449e-02 5.66 -1.925487717e-02 -1.925487717e-02 5.68 -1.846944171e-02 -1.846944171e-02 5.70 -1.772235217e-02 -1.772235217e-02 5.72 -1.701093628e-02 -1.701093628e-02 5.74 -1.633258931e-02 -1.633258931e-02 5.76 -1.568476394e-02 -1.568476394e-02 5.78 -1.506503927e-02 -1.506503927e-02 5.80 -1.447113573e-02 -1.447113573e-02 5.82 -1.390089958e-02 -1.390089958e-02 5.84 -1.335230665e-02 -1.335230665e-02 5.86 -1.282346276e-02 -1.282346276e-02 5.88 -1.231260180e-02 -1.231260180e-02 5.90 -1.181808236e-02 -1.181808236e-02 5.92 -1.133838390e-02 -1.133838390e-02 5.94 -1.087210316e-02 -1.087210316e-02 5.96 -1.041795145e-02 -1.041795145e-02 5.98 -9.974753377e-03 -9.974753377e-03 6.00 -9.541447262e-03 -9.541447262e-03