# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CrNi2W # 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 2025-07-01 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 1.525428456e+03 1.525428456e+03 1.00 1.432518202e+03 1.432518202e+03 1.02 1.345816161e+03 1.345816161e+03 1.04 1.262316665e+03 1.262316665e+03 1.06 1.179294253e+03 1.179294253e+03 1.08 1.097992798e+03 1.097992798e+03 1.10 1.019370525e+03 1.019370525e+03 1.12 9.441014731e+02 9.441014731e+02 1.14 8.726331221e+02 8.726331221e+02 1.16 8.052338154e+02 8.052338154e+02 1.18 7.421764521e+02 7.421764521e+02 1.20 6.835661503e+02 6.835661503e+02 1.22 6.292153640e+02 6.292153640e+02 1.24 5.789151367e+02 5.789151367e+02 1.26 5.324440857e+02 5.324440857e+02 1.28 4.895746296e+02 4.895746296e+02 1.30 4.500778840e+02 4.500778840e+02 1.32 4.137274575e+02 4.137274575e+02 1.34 3.803023431e+02 3.803023431e+02 1.36 3.495890726e+02 3.495890726e+02 1.38 3.213832620e+02 3.213832620e+02 1.40 2.954906700e+02 2.954906700e+02 1.42 2.717278594e+02 2.717278594e+02 1.44 2.499225402e+02 2.499225402e+02 1.46 2.299136644e+02 2.299136644e+02 1.48 2.115513234e+02 2.115513234e+02 1.50 1.946964935e+02 1.946964935e+02 1.52 1.792206686e+02 1.792206686e+02 1.54 1.650054069e+02 1.650054069e+02 1.56 1.519418186e+02 1.519418186e+02 1.58 1.399300120e+02 1.399300120e+02 1.60 1.288785125e+02 1.288785125e+02 1.62 1.187036668e+02 1.187036668e+02 1.64 1.093290442e+02 1.093290442e+02 1.66 1.006848408e+02 1.006848408e+02 1.68 9.270729923e+01 9.270729923e+01 1.70 8.533815255e+01 8.533815255e+01 1.72 7.852410219e+01 7.852410219e+01 1.74 7.221634308e+01 7.221634308e+01 1.76 6.637014047e+01 6.637014047e+01 1.78 6.094446570e+01 6.094446570e+01 1.80 5.590170781e+01 5.590170781e+01 1.82 5.120745726e+01 5.120745726e+01 1.84 4.683034757e+01 4.683034757e+01 1.86 4.274194693e+01 4.274194693e+01 1.88 3.891669857e+01 3.891669857e+01 1.90 3.533188955e+01 3.533188955e+01 1.92 3.196762487e+01 3.196762487e+01 1.94 2.880678439e+01 2.880678439e+01 1.96 2.583494164e+01 2.583494164e+01 1.98 2.304022688e+01 2.304022688e+01 2.00 2.041311068e+01 2.041311068e+01 2.02 1.794609930e+01 1.794609930e+01 2.04 1.563339469e+01 1.563339469e+01 2.06 1.347051704e+01 1.347051704e+01 2.08 1.145386987e+01 1.145386987e+01 2.10 9.580291810e+00 9.580291810e+00 2.12 7.846702975e+00 7.846702975e+00 2.14 6.249815489e+00 6.249815489e+00 2.16 4.785912015e+00 4.785912015e+00 2.18 3.450702389e+00 3.450702389e+00 2.20 2.239258387e+00 2.239258387e+00 2.22 1.146017320e+00 1.146017320e+00 2.24 1.648454468e-01 1.648454468e-01 2.26 -7.108540818e-01 -7.108540818e-01 2.28 -1.487937868e+00 -1.487937868e+00 2.30 -2.173372253e+00 -2.173372253e+00 2.32 -2.774199937e+00 -2.774199937e+00 2.34 -3.297414912e+00 -3.297414912e+00 2.36 -3.749847718e+00 -3.749847718e+00 2.38 -4.138078142e+00 -4.138078142e+00 2.40 -4.468551798e+00 -4.468551798e+00 2.42 -4.747522011e+00 -4.747522011e+00 2.44 -4.980758734e+00 -4.980758734e+00 2.46 -5.173530858e+00 -5.173530858e+00 2.48 -5.330617205e+00 -5.330617205e+00 2.50 -5.456326295e+00 -5.456326295e+00 2.52 -5.554522328e+00 -5.554522328e+00 2.54 -5.628655198e+00 -5.628655198e+00 2.56 -5.681792690e+00 -5.681792690e+00 2.58 -5.716653441e+00 -5.716653441e+00 2.60 -5.735639573e+00 -5.735639573e+00 2.62 -5.740868198e+00 -5.740868198e+00 2.64 -5.734201265e+00 -5.734201265e+00 2.66 -5.717273396e+00 -5.717273396e+00 2.68 -5.691517539e+00 -5.691517539e+00 2.70 -5.658188369e+00 -5.658188369e+00 2.72 -5.618383448e+00 -5.618383448e+00 2.74 -5.573062231e+00 -5.573062231e+00 2.76 -5.523063032e+00 -5.523063032e+00 2.78 -5.469118081e+00 -5.469118081e+00 2.80 -5.411866836e+00 -5.411866836e+00 2.82 -5.351867694e+00 -5.351867694e+00 2.84 -5.289608251e+00 -5.289608251e+00 2.86 -5.225514258e+00 -5.225514258e+00 2.88 -5.159957407e+00 -5.159957407e+00 2.90 -5.093262059e+00 -5.093262059e+00 2.92 -5.025711038e+00 -5.025711038e+00 2.94 -4.957550582e+00 -4.957550582e+00 2.96 -4.888994542e+00 -4.888994542e+00 2.98 -4.820227908e+00 -4.820227908e+00 3.00 -4.751409728e+00 -4.751409728e+00 3.02 -4.682675489e+00 -4.682675489e+00 3.04 -4.614139017e+00 -4.614139017e+00 3.06 -4.545893949e+00 -4.545893949e+00 3.08 -4.478014838e+00 -4.478014838e+00 3.10 -4.410557947e+00 -4.410557947e+00 3.12 -4.343561802e+00 -4.343561802e+00 3.14 -4.277047579e+00 -4.277047579e+00 3.16 -4.211019409e+00 -4.211019409e+00 3.18 -4.145464714e+00 -4.145464714e+00 3.20 -4.080354683e+00 -4.080354683e+00 3.22 -4.015645028e+00 -4.015645028e+00 3.24 -3.951277176e+00 -3.951277176e+00 3.26 -3.887180036e+00 -3.887180036e+00 3.28 -3.823272510e+00 -3.823272510e+00 3.30 -3.759466866e+00 -3.759466866e+00 3.32 -3.695673037e+00 -3.695673037e+00 3.34 -3.631803811e+00 -3.631803811e+00 3.36 -3.567780716e+00 -3.567780716e+00 3.38 -3.503540205e+00 -3.503540205e+00 3.40 -3.439039545e+00 -3.439039545e+00 3.42 -3.374261660e+00 -3.374261660e+00 3.44 -3.309218182e+00 -3.309218182e+00 3.46 -3.243950086e+00 -3.243950086e+00 3.48 -3.178525657e+00 -3.178525657e+00 3.50 -3.113035963e+00 -3.113035963e+00 3.52 -3.047588440e+00 -3.047588440e+00 3.54 -2.982299507e+00 -2.982299507e+00 3.56 -2.917287238e+00 -2.917287238e+00 3.58 -2.852664972e+00 -2.852664972e+00 3.60 -2.788536495e+00 -2.788536495e+00 3.62 -2.724993063e+00 -2.724993063e+00 3.64 -2.662112198e+00 -2.662112198e+00 3.66 -2.599957948e+00 -2.599957948e+00 3.68 -2.538582157e+00 -2.538582157e+00 3.70 -2.478026289e+00 -2.478026289e+00 3.72 -2.418323387e+00 -2.418323387e+00 3.74 -2.359499879e+00 -2.359499879e+00 3.76 -2.301577082e+00 -2.301577082e+00 3.78 -2.244572345e+00 -2.244572345e+00 3.80 -2.188499853e+00 -2.188499853e+00 3.82 -2.133371181e+00 -2.133371181e+00 3.84 -2.079195656e+00 -2.079195656e+00 3.86 -2.025980598e+00 -2.025980598e+00 3.88 -1.973731498e+00 -1.973731498e+00 3.90 -1.922452160e+00 -1.922452160e+00 3.92 -1.872144814e+00 -1.872144814e+00 3.94 -1.822810227e+00 -1.822810227e+00 3.96 -1.774447802e+00 -1.774447802e+00 3.98 -1.727055670e+00 -1.727055670e+00 4.00 -1.680630785e+00 -1.680630785e+00 4.02 -1.635169002e+00 -1.635169002e+00 4.04 -1.590665162e+00 -1.590665162e+00 4.06 -1.547113167e+00 -1.547113167e+00 4.08 -1.504506050e+00 -1.504506050e+00 4.10 -1.462836047e+00 -1.462836047e+00 4.12 -1.422094659e+00 -1.422094659e+00 4.14 -1.382272716e+00 -1.382272716e+00 4.16 -1.343360431e+00 -1.343360431e+00 4.18 -1.305347461e+00 -1.305347461e+00 4.20 -1.268222954e+00 -1.268222954e+00 4.22 -1.231975599e+00 -1.231975599e+00 4.24 -1.196593677e+00 -1.196593677e+00 4.26 -1.161736774e+00 -1.161736774e+00 4.28 -1.120870278e+00 -1.120870278e+00 4.30 -1.056984140e+00 -1.056984140e+00 4.32 -9.676341495e-01 -9.676341495e-01 4.34 -9.228278792e-01 -9.228278792e-01 4.36 -8.961030340e-01 -8.961030340e-01 4.38 -8.700346746e-01 -8.700346746e-01 4.40 -8.446125128e-01 -8.446125128e-01 4.42 -8.198260960e-01 -8.198260960e-01 4.44 -7.956648316e-01 -7.956648316e-01 4.46 -7.721180111e-01 -7.721180111e-01 4.48 -7.491748319e-01 -7.491748319e-01 4.50 -7.268244184e-01 -7.268244184e-01 4.52 -7.050558415e-01 -7.050558415e-01 4.54 -6.838581368e-01 -6.838581368e-01 4.56 -6.632203219e-01 -6.632203219e-01 4.58 -6.431314122e-01 -6.431314122e-01 4.60 -6.235804364e-01 -6.235804364e-01 4.62 -6.045564498e-01 -6.045564498e-01 4.64 -5.860485477e-01 -5.860485477e-01 4.66 -5.680458773e-01 -5.680458773e-01 4.68 -5.505376492e-01 -5.505376492e-01 4.70 -5.335131472e-01 -5.335131472e-01 4.72 -5.169617383e-01 -5.169617383e-01 4.74 -5.008728813e-01 -5.008728813e-01 4.76 -4.852361349e-01 -4.852361349e-01 4.78 -4.700411653e-01 -4.700411653e-01 4.80 -4.552777526e-01 -4.552777526e-01 4.82 -4.409357973e-01 -4.409357973e-01 4.84 -4.270053256e-01 -4.270053256e-01 4.86 -4.134764946e-01 -4.134764946e-01 4.88 -4.003395965e-01 -4.003395965e-01 4.90 -3.875850631e-01 -3.875850631e-01 4.92 -3.740654543e-01 -3.740654543e-01 4.94 -3.457405066e-01 -3.457405066e-01 4.96 -2.700459889e-01 -2.700459889e-01 4.98 -1.248392572e-01 -1.248392572e-01 5.00 -1.478499582e-23 -1.478774239e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00