# 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 = FePtW2 # 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 4.112870298e+02 4.112870298e+02 1.30 3.806426648e+02 3.806426648e+02 1.32 3.522790713e+02 3.522790713e+02 1.34 3.260078463e+02 3.260078463e+02 1.36 3.016658958e+02 3.016658958e+02 1.38 2.791083623e+02 2.791083623e+02 1.40 2.582020200e+02 2.582020200e+02 1.42 2.388211929e+02 2.388211929e+02 1.44 2.208467941e+02 2.208467941e+02 1.46 2.041678428e+02 2.041678428e+02 1.48 1.886833606e+02 1.886833606e+02 1.50 1.743025633e+02 1.743025633e+02 1.52 1.609431404e+02 1.609431404e+02 1.54 1.485290327e+02 1.485290327e+02 1.56 1.369890299e+02 1.369890299e+02 1.58 1.262563212e+02 1.262563212e+02 1.60 1.162683743e+02 1.162683743e+02 1.62 1.069667619e+02 1.069667619e+02 1.64 9.829706063e+01 9.829706063e+01 1.66 9.020902143e+01 9.020902143e+01 1.68 8.265696240e+01 8.265696240e+01 1.70 7.560016660e+01 7.560016660e+01 1.72 6.900305684e+01 6.900305684e+01 1.74 6.283497843e+01 6.283497843e+01 1.76 5.706962451e+01 5.706962451e+01 1.78 5.168436025e+01 5.168436025e+01 1.80 4.665958989e+01 4.665958989e+01 1.82 4.197799589e+01 4.197799589e+01 1.84 3.762391719e+01 3.762391719e+01 1.86 3.358225554e+01 3.358225554e+01 1.88 2.983589170e+01 2.983589170e+01 1.90 2.637731635e+01 2.637731635e+01 1.92 2.323493881e+01 2.323493881e+01 1.94 2.038414553e+01 2.038414553e+01 1.96 1.779550245e+01 1.779550245e+01 1.98 1.544267871e+01 1.544267871e+01 2.00 1.330242577e+01 1.330242577e+01 2.02 1.135429109e+01 1.135429109e+01 2.04 9.580204116e+00 9.580204116e+00 2.06 7.964052074e+00 7.964052074e+00 2.08 6.491315097e+00 6.491315097e+00 2.10 5.148787835e+00 5.148787835e+00 2.12 3.924393320e+00 3.924393320e+00 2.14 2.807086797e+00 2.807086797e+00 2.16 1.786835966e+00 1.786835966e+00 2.18 8.546448356e-01 8.546448356e-01 2.20 2.574531303e-03 2.574531303e-03 2.22 -7.762792239e-01 -7.762792239e-01 2.24 -1.487867467e+00 -1.487867467e+00 2.26 -2.137316967e+00 -2.137316967e+00 2.28 -2.729081344e+00 -2.729081344e+00 2.30 -3.267089239e+00 -3.267089239e+00 2.32 -3.754873236e+00 -3.754873236e+00 2.34 -4.195672780e+00 -4.195672780e+00 2.36 -4.592511093e+00 -4.592511093e+00 2.38 -4.948249142e+00 -4.948249142e+00 2.40 -5.265620563e+00 -5.265620563e+00 2.42 -5.547251656e+00 -5.547251656e+00 2.44 -5.795671038e+00 -5.795671038e+00 2.46 -6.013224861e+00 -6.013224861e+00 2.48 -6.202178824e+00 -6.202178824e+00 2.50 -6.364977693e+00 -6.364977693e+00 2.52 -6.503956017e+00 -6.503956017e+00 2.54 -6.621315061e+00 -6.621315061e+00 2.56 -6.719090785e+00 -6.719090785e+00 2.58 -6.799112417e+00 -6.799112417e+00 2.60 -6.862964562e+00 -6.862964562e+00 2.62 -6.911705768e+00 -6.911705768e+00 2.64 -6.945740515e+00 -6.945740515e+00 2.66 -6.965397693e+00 -6.965397693e+00 2.68 -6.972008332e+00 -6.972008332e+00 2.70 -6.966296286e+00 -6.966296286e+00 2.72 -6.948207005e+00 -6.948207005e+00 2.74 -6.917759790e+00 -6.917759790e+00 2.76 -6.875045379e+00 -6.875045379e+00 2.78 -6.820223241e+00 -6.820223241e+00 2.80 -6.753520603e+00 -6.753520603e+00 2.82 -6.675234998e+00 -6.675234998e+00 2.84 -6.585741433e+00 -6.585741433e+00 2.86 -6.485504216e+00 -6.485504216e+00 2.88 -6.375092188e+00 -6.375092188e+00 2.90 -6.255194718e+00 -6.255194718e+00 2.92 -6.126634353e+00 -6.126634353e+00 2.94 -5.990371064e+00 -5.990371064e+00 2.96 -5.847492999e+00 -5.847492999e+00 2.98 -5.699190239e+00 -5.699190239e+00 3.00 -5.546711432e+00 -5.546711432e+00 3.02 -5.391310586e+00 -5.391310586e+00 3.04 -5.234177210e+00 -5.234177210e+00 3.06 -5.076381871e+00 -5.076381871e+00 3.08 -4.918835806e+00 -4.918835806e+00 3.10 -4.762265379e+00 -4.762265379e+00 3.12 -4.607206635e+00 -4.607206635e+00 3.14 -4.454017796e+00 -4.454017796e+00 3.16 -4.302904572e+00 -4.302904572e+00 3.18 -4.153882602e+00 -4.153882602e+00 3.20 -4.006753196e+00 -4.006753196e+00 3.22 -3.861270395e+00 -3.861270395e+00 3.24 -3.717186558e+00 -3.717186558e+00 3.26 -3.574276130e+00 -3.574276130e+00 3.28 -3.432354589e+00 -3.432354589e+00 3.30 -3.291293099e+00 -3.291293099e+00 3.32 -3.151030504e+00 -3.151030504e+00 3.34 -3.011731150e+00 -3.011731150e+00 3.36 -2.873952089e+00 -2.873952089e+00 3.38 -2.738327788e+00 -2.738327788e+00 3.40 -2.605510713e+00 -2.605510713e+00 3.42 -2.476152208e+00 -2.476152208e+00 3.44 -2.350878998e+00 -2.350878998e+00 3.46 -2.230267707e+00 -2.230267707e+00 3.48 -2.114820113e+00 -2.114820113e+00 3.50 -2.004941947e+00 -2.004941947e+00 3.52 -1.900927638e+00 -1.900927638e+00 3.54 -1.802952571e+00 -1.802952571e+00 3.56 -1.711073316e+00 -1.711073316e+00 3.58 -1.625235218e+00 -1.625235218e+00 3.60 -1.545285818e+00 -1.545285818e+00 3.62 -1.470992127e+00 -1.470992127e+00 3.64 -1.402059628e+00 -1.402059628e+00 3.66 -1.338151154e+00 -1.338151154e+00 3.68 -1.278904221e+00 -1.278904221e+00 3.70 -1.223945918e+00 -1.223945918e+00 3.72 -1.172904921e+00 -1.172904921e+00 3.74 -1.125420607e+00 -1.125420607e+00 3.76 -1.081149486e+00 -1.081149486e+00 3.78 -1.039769314e+00 -1.039769314e+00 3.80 -1.000981336e+00 -1.000981336e+00 3.82 -9.645110898e-01 -9.645110898e-01 3.84 -9.301081618e-01 -9.301081618e-01 3.86 -8.975452421e-01 -8.975452421e-01 3.88 -8.666167668e-01 -8.666167668e-01 3.90 -8.371373688e-01 -8.371373688e-01 3.92 -8.089403183e-01 -8.089403183e-01 3.94 -7.818760951e-01 -7.818760951e-01 3.96 -7.558111730e-01 -7.558111730e-01 3.98 -7.306271133e-01 -7.306271133e-01 4.00 -7.062199817e-01 -7.062199817e-01 4.02 -6.825000971e-01 -6.825000971e-01 4.04 -6.593921045e-01 -6.593921045e-01 4.06 -6.368352328e-01 -6.368352328e-01 4.08 -6.147836523e-01 -6.147836523e-01 4.10 -5.932070519e-01 -5.932070519e-01 4.12 -5.720904661e-01 -5.720904661e-01 4.14 -5.514324430e-01 -5.514324430e-01 4.16 -5.312451546e-01 -5.312451546e-01 4.18 -5.115521634e-01 -5.115521634e-01 4.20 -4.923853373e-01 -4.923853373e-01 4.22 -4.737811227e-01 -4.737811227e-01 4.24 -4.557764527e-01 -4.557764527e-01 4.26 -4.384046781e-01 -4.384046781e-01 4.28 -4.216919418e-01 -4.216919418e-01 4.30 -4.056543660e-01 -4.056543660e-01 4.32 -3.902962917e-01 -3.902962917e-01 4.34 -3.756096489e-01 -3.756096489e-01 4.36 -3.615743695e-01 -3.615743695e-01 4.38 -3.481596337e-01 -3.481596337e-01 4.40 -3.353256717e-01 -3.353256717e-01 4.42 -3.230258398e-01 -3.230258398e-01 4.44 -3.112087279e-01 -3.112087279e-01 4.46 -2.998201221e-01 -2.998201221e-01 4.48 -2.888047158e-01 -2.888047158e-01 4.50 -2.781075442e-01 -2.781075442e-01 4.52 -2.676751318e-01 -2.676751318e-01 4.54 -2.574560170e-01 -2.574560170e-01 4.56 -2.474026111e-01 -2.474026111e-01 4.58 -2.374713517e-01 -2.374713517e-01 4.60 -2.276230686e-01 -2.276230686e-01 4.62 -2.178237625e-01 -2.178237625e-01 4.64 -2.080453874e-01 -2.080453874e-01 4.66 -1.982666536e-01 -1.982666536e-01 4.68 -1.884738389e-01 -1.884738389e-01 4.70 -1.786615584e-01 -1.786615584e-01 4.72 -1.688334204e-01 -1.688334204e-01 4.74 -1.590024677e-01 -1.590024677e-01 4.76 -1.491912967e-01 -1.491912967e-01 4.78 -1.394317488e-01 -1.394317488e-01 4.80 -1.297640905e-01 -1.297640905e-01 4.82 -1.202356451e-01 -1.202356451e-01 4.84 -1.108988906e-01 -1.108988906e-01 4.86 -1.018091197e-01 -1.018091197e-01 4.88 -9.302181040e-02 -9.302181040e-02 4.90 -8.458991573e-02 -8.458991573e-02 4.92 -7.656130098e-02 -7.656130098e-02 4.94 -6.897654712e-02 -6.897654712e-02 4.96 -6.186729690e-02 -6.186729690e-02 4.98 -5.525525245e-02 -5.525525245e-02 5.00 -4.915185464e-02 -4.915185464e-02 5.02 -4.355859866e-02 -4.355859866e-02 5.04 -3.846788043e-02 -3.846788043e-02 5.06 -3.386423114e-02 -3.386423114e-02 5.08 -2.972578420e-02 -2.972578420e-02 5.10 -2.602582653e-02 -2.602582653e-02 5.12 -2.273431572e-02 -2.273431572e-02 5.14 -1.981926691e-02 -1.981926691e-02 5.16 -1.724788905e-02 -1.724788905e-02 5.18 -1.498731626e-02 -1.498731626e-02 5.20 -1.300632018e-02 -1.300632018e-02 5.22 -1.127521317e-02 -1.127521317e-02 5.24 -9.766130497e-03 -9.766130497e-03 5.26 -8.453303211e-03 -8.453303211e-03 5.28 -7.313189585e-03 -7.313189585e-03 5.30 -6.324499547e-03 -6.324499547e-03 5.32 -5.468141699e-03 -5.468141699e-03 5.34 -4.727117426e-03 -4.727117426e-03 5.36 -4.086381586e-03 -4.086381586e-03 5.38 -3.532684762e-03 -3.532684762e-03 5.40 -3.054408135e-03 -3.054408135e-03 5.42 -2.641398935e-03 -2.641398935e-03 5.44 -2.284811812e-03 -2.284811812e-03 5.46 -1.976959602e-03 -1.976959602e-03 5.48 -1.711175449e-03 -1.711175449e-03 5.50 -1.481687213e-03 -1.481687213e-03 5.52 -1.283504341e-03 -1.283504341e-03 5.54 -1.112316871e-03 -1.112316871e-03 5.56 -9.644059318e-04 -9.644059318e-04 5.58 -8.365648899e-04 -8.365648899e-04 5.60 -7.260302207e-04 -7.260302207e-04 5.62 -6.304211521e-04 -6.304211521e-04 5.64 -5.476871391e-04 -5.476871391e-04 5.66 -4.760622792e-04 -4.760622792e-04 5.68 -4.140258426e-04 -4.140258426e-04 5.70 -3.602681586e-04 -3.602681586e-04 5.72 -3.136611773e-04 -3.136611773e-04 5.74 -2.732330962e-04 -2.732330962e-04 5.76 -2.381465113e-04 -2.381465113e-04 5.78 -2.076796184e-04 -2.076796184e-04 5.80 -1.812100470e-04 -1.812100470e-04 5.82 -1.582009651e-04 -1.582009651e-04 5.84 -1.381891381e-04 -1.381891381e-04 5.86 -1.207746694e-04 -1.207746694e-04 5.88 -1.056121871e-04 -1.056121871e-04 5.90 -9.240327051e-05 -9.240327051e-05 5.92 -8.088994472e-05 -8.088994472e-05 5.94 -7.084908865e-05 -7.084908865e-05 5.96 -6.208762922e-05 -6.208762922e-05 5.98 -5.443840934e-05 -5.443840934e-05 6.00 -4.775663410e-05 -4.775663410e-05