# 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 = FeTa2W # 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 3.577893953e+02 3.577893953e+02 1.30 3.300386561e+02 3.300386561e+02 1.32 3.044352675e+02 3.044352675e+02 1.34 2.807942166e+02 2.807942166e+02 1.36 2.589501153e+02 2.589501153e+02 1.38 2.387551201e+02 2.387551201e+02 1.40 2.200773095e+02 2.200773095e+02 1.42 2.027990422e+02 2.027990422e+02 1.44 1.868146599e+02 1.868146599e+02 1.46 1.720276333e+02 1.720276333e+02 1.48 1.583478594e+02 1.583478594e+02 1.50 1.456898969e+02 1.456898969e+02 1.52 1.339725840e+02 1.339725840e+02 1.54 1.231199024e+02 1.231199024e+02 1.56 1.130623705e+02 1.130623705e+02 1.58 1.037380088e+02 1.037380088e+02 1.60 9.509226363e+01 9.509226363e+01 1.62 8.707694701e+01 8.707694701e+01 1.64 7.964873235e+01 7.964873235e+01 1.66 7.276777932e+01 7.276777932e+01 1.68 6.639678100e+01 6.639678100e+01 1.70 6.050043816e+01 6.050043816e+01 1.72 5.504522810e+01 5.504522810e+01 1.74 4.999934305e+01 4.999934305e+01 1.76 4.533272998e+01 4.533272998e+01 1.78 4.101719479e+01 4.101719479e+01 1.80 3.702652927e+01 3.702652927e+01 1.82 3.333660678e+01 3.333660678e+01 1.84 2.992539296e+01 2.992539296e+01 1.86 2.677283319e+01 2.677283319e+01 1.88 2.386060624e+01 2.386060624e+01 1.90 2.117177090e+01 2.117177090e+01 1.92 1.869442565e+01 1.869442565e+01 1.94 1.641997465e+01 1.641997465e+01 1.96 1.433256087e+01 1.433256087e+01 1.98 1.241642379e+01 1.241642379e+01 2.00 1.065644133e+01 1.065644133e+01 2.02 9.038375737e+00 9.038375737e+00 2.04 7.549145068e+00 7.549145068e+00 2.06 6.177056006e+00 6.177056006e+00 2.08 4.911883640e+00 4.911883640e+00 2.10 3.744791543e+00 3.744791543e+00 2.12 2.668145906e+00 2.668145906e+00 2.14 1.675298147e+00 1.675298147e+00 2.16 7.603913004e-01 7.603913004e-01 2.18 -8.179018548e-02 -8.179018548e-02 2.20 -8.559356079e-01 -8.559356079e-01 2.22 -1.566306103e+00 -1.566306103e+00 2.24 -2.216828651e+00 -2.216828651e+00 2.26 -2.811188499e+00 -2.811188499e+00 2.28 -3.352913819e+00 -3.352913819e+00 2.30 -3.845442371e+00 -3.845442371e+00 2.32 -4.292160456e+00 -4.292160456e+00 2.34 -4.696408508e+00 -4.696408508e+00 2.36 -5.061454370e+00 -5.061454370e+00 2.38 -5.390442872e+00 -5.390442872e+00 2.40 -5.686336351e+00 -5.686336351e+00 2.42 -5.951862559e+00 -5.951862559e+00 2.44 -6.189483010e+00 -6.189483010e+00 2.46 -6.401387590e+00 -6.401387590e+00 2.48 -6.589513318e+00 -6.589513318e+00 2.50 -6.755579399e+00 -6.755579399e+00 2.52 -6.901128680e+00 -6.901128680e+00 2.54 -7.027566862e+00 -7.027566862e+00 2.56 -7.136193860e+00 -7.136193860e+00 2.58 -7.228216929e+00 -7.228216929e+00 2.60 -7.304712278e+00 -7.304712278e+00 2.62 -7.366632456e+00 -7.366632456e+00 2.64 -7.415068054e+00 -7.415068054e+00 2.66 -7.451199957e+00 -7.451199957e+00 2.68 -7.476095926e+00 -7.476095926e+00 2.70 -7.490716494e+00 -7.490716494e+00 2.72 -7.495920992e+00 -7.495920992e+00 2.74 -7.492474387e+00 -7.492474387e+00 2.76 -7.481038574e+00 -7.481038574e+00 2.78 -7.461928813e+00 -7.461928813e+00 2.80 -7.434997833e+00 -7.434997833e+00 2.82 -7.400102962e+00 -7.400102962e+00 2.84 -7.357190188e+00 -7.357190188e+00 2.86 -7.306285835e+00 -7.306285835e+00 2.88 -7.247488852e+00 -7.247488852e+00 2.90 -7.180962227e+00 -7.180962227e+00 2.92 -7.106922535e+00 -7.106922535e+00 2.94 -7.025627209e+00 -7.025627209e+00 2.96 -6.937359706e+00 -6.937359706e+00 2.98 -6.842413325e+00 -6.842413325e+00 3.00 -6.741074901e+00 -6.741074901e+00 3.02 -6.633612994e+00 -6.633612994e+00 3.04 -6.520260230e+00 -6.520260230e+00 3.06 -6.401202792e+00 -6.401202792e+00 3.08 -6.276588525e+00 -6.276588525e+00 3.10 -6.146531101e+00 -6.146531101e+00 3.12 -6.011120425e+00 -6.011120425e+00 3.14 -5.870438852e+00 -5.870438852e+00 3.16 -5.724559953e+00 -5.724559953e+00 3.18 -5.573471745e+00 -5.573471745e+00 3.20 -5.417224370e+00 -5.417224370e+00 3.22 -5.256003425e+00 -5.256003425e+00 3.24 -5.090136491e+00 -5.090136491e+00 3.26 -4.920095548e+00 -4.920095548e+00 3.28 -4.746493140e+00 -4.746493140e+00 3.30 -4.570070549e+00 -4.570070549e+00 3.32 -4.391677340e+00 -4.391677340e+00 3.34 -4.212242934e+00 -4.212242934e+00 3.36 -4.032742148e+00 -4.032742148e+00 3.38 -3.854157527e+00 -3.854157527e+00 3.40 -3.677441632e+00 -3.677441632e+00 3.42 -3.503482195e+00 -3.503482195e+00 3.44 -3.333072373e+00 -3.333072373e+00 3.46 -3.166887499e+00 -3.166887499e+00 3.48 -3.005468931e+00 -3.005468931e+00 3.50 -2.849215109e+00 -2.849215109e+00 3.52 -2.698379592e+00 -2.698379592e+00 3.54 -2.553075736e+00 -2.553075736e+00 3.56 -2.413287554e+00 -2.413287554e+00 3.58 -2.278886139e+00 -2.278886139e+00 3.60 -2.149650825e+00 -2.149650825e+00 3.62 -2.025293966e+00 -2.025293966e+00 3.64 -1.905487972e+00 -1.905487972e+00 3.66 -1.789893066e+00 -1.789893066e+00 3.68 -1.678184113e+00 -1.678184113e+00 3.70 -1.570074908e+00 -1.570074908e+00 3.72 -1.465338423e+00 -1.465338423e+00 3.74 -1.363821699e+00 -1.363821699e+00 3.76 -1.265454409e+00 -1.265454409e+00 3.78 -1.170250475e+00 -1.170250475e+00 3.80 -1.078302664e+00 -1.078302664e+00 3.82 -9.897706597e-01 -9.897706597e-01 3.84 -9.048636857e-01 -9.048636857e-01 3.86 -8.238193560e-01 -8.238193560e-01 3.88 -7.468807661e-01 -7.468807661e-01 3.90 -6.742740307e-01 -6.742740307e-01 3.92 -6.061883047e-01 -6.061883047e-01 3.94 -5.427599784e-01 -5.427599784e-01 3.96 -4.840621093e-01 -4.840621093e-01 3.98 -4.300994462e-01 -4.300994462e-01 4.00 -3.808087352e-01 -3.808087352e-01 4.02 -3.360635811e-01 -3.360635811e-01 4.04 -2.956824440e-01 -2.956824440e-01 4.06 -2.594393604e-01 -2.594393604e-01 4.08 -2.270758726e-01 -2.270758726e-01 4.10 -1.983114530e-01 -1.983114530e-01 4.12 -1.728540285e-01 -1.728540285e-01 4.14 -1.504091303e-01 -1.504091303e-01 4.16 -1.306874089e-01 -1.306874089e-01 4.18 -1.134104575e-01 -1.134104575e-01 4.20 -9.831503211e-02 -9.831503211e-02 4.22 -8.515584577e-02 -8.515584577e-02 4.24 -7.370715523e-02 -7.370715523e-02 4.26 -6.376337707e-02 -6.376337707e-02 4.28 -5.513895672e-02 -5.513895672e-02 4.30 -4.766769224e-02 -4.766769224e-02 4.32 -4.120168417e-02 -4.120168417e-02 4.34 -3.561005125e-02 -3.561005125e-02 4.36 -3.077752269e-02 -3.077752269e-02 4.38 -2.660298151e-02 -2.660298151e-02 4.40 -2.299803362e-02 -2.299803362e-02 4.42 -1.988563244e-02 -1.988563244e-02 4.44 -1.719867445e-02 -1.719867445e-02 4.46 -1.487849288e-02 -1.487849288e-02 4.48 -1.287514353e-02 -1.287514353e-02 4.50 -1.114538137e-02 -1.114538137e-02 4.52 -9.651703062e-03 -9.651703062e-03 4.54 -8.361656458e-03 -8.361656458e-03 4.56 -7.247206080e-03 -7.247206080e-03 4.58 -6.284160809e-03 -6.284160809e-03 4.60 -5.451664400e-03 -5.451664400e-03 4.62 -4.731746176e-03 -4.731746176e-03 4.64 -4.108927522e-03 -4.108927522e-03 4.66 -3.569879007e-03 -3.569879007e-03 4.68 -3.103122783e-03 -3.103122783e-03 4.70 -2.698775015e-03 -2.698775015e-03 4.72 -2.348323460e-03 -2.348323460e-03 4.74 -2.044435707e-03 -2.044435707e-03 4.76 -1.780794059e-03 -1.780794059e-03 4.78 -1.551953479e-03 -1.551953479e-03 4.80 -1.353219330e-03 -1.353219330e-03 4.82 -1.180542965e-03 -1.180542965e-03 4.84 -1.030430720e-03 -1.030430720e-03 4.86 -8.998670405e-04 -8.998670405e-04 4.88 -7.862477968e-04 -7.862477968e-04 4.90 -6.873231336e-04 -6.873231336e-04 4.92 -6.011483673e-04 -6.011483673e-04 4.94 -5.260417921e-04 -5.260417921e-04 4.96 -4.605484134e-04 -4.605484134e-04 4.98 -4.034087669e-04 -4.034087669e-04 5.00 -3.535321014e-04 -3.535321014e-04 5.02 -3.099733063e-04 -3.099733063e-04 5.04 -2.719130534e-04 -2.719130534e-04 5.06 -2.386406978e-04 -2.386406978e-04 5.08 -2.095395500e-04 -2.095395500e-04 5.10 -1.840741821e-04 -1.840741821e-04 5.12 -1.617794853e-04 -1.617794853e-04 5.14 -1.422512295e-04 -1.422512295e-04 5.16 -1.251379184e-04 -1.251379184e-04 5.18 -1.101337555e-04 -1.101337555e-04 5.20 -9.697256964e-05 -9.697256964e-05 5.22 -8.542256420e-05 -8.542256420e-05 5.24 -7.528177769e-05 -7.528177769e-05 5.26 -6.637415648e-05 -6.637415648e-05 5.28 -5.854615587e-05 -5.854615587e-05 5.30 -5.166379678e-05 -5.166379678e-05 5.32 -4.561011577e-05 -4.561011577e-05 5.34 -4.028295473e-05 -4.028295473e-05 5.36 -3.559304402e-05 -3.559304402e-05 5.38 -3.146233929e-05 -3.146233929e-05 5.40 -2.782257766e-05 -2.782257766e-05 5.42 -2.461402379e-05 -2.461402379e-05 5.44 -2.178438021e-05 -2.178438021e-05 5.46 -1.928784005e-05 -1.928784005e-05 5.48 -1.708426307e-05 -1.708426307e-05 5.50 -1.513845867e-05 -1.513845867e-05 5.52 -1.341956158e-05 -1.341956158e-05 5.54 -1.190048811e-05 -1.190048811e-05 5.56 -1.055746227e-05 -1.055746227e-05 5.58 -9.369602589e-06 -9.369602589e-06 5.60 -8.318561709e-06 -8.318561709e-06 5.62 -7.388211850e-06 -7.388211850e-06 5.64 -6.564370193e-06 -6.564370193e-06 5.66 -5.834559001e-06 -5.834559001e-06 5.68 -5.187795976e-06 -5.187795976e-06 5.70 -4.614410974e-06 -4.614410974e-06 5.72 -4.105885681e-06 -4.105885681e-06 5.74 -3.654713314e-06 -3.654713314e-06 5.76 -3.254275795e-06 -3.254275795e-06 5.78 -2.898736161e-06 -2.898736161e-06 5.80 -2.582944300e-06 -2.582944300e-06 5.82 -2.302354307e-06 -2.302354307e-06 5.84 -2.052952007e-06 -2.052952007e-06 5.86 -1.831191365e-06 -1.831191365e-06 5.88 -1.633938666e-06 -1.633938666e-06 5.90 -1.458423503e-06 -1.458423503e-06 5.92 -1.302195712e-06 -1.302195712e-06 5.94 -1.163087531e-06 -1.163087531e-06 5.96 -1.039180325e-06 -1.039180325e-06 5.98 -9.287753190e-07 -9.287753190e-07 6.00 -8.303678432e-07 -8.303678432e-07