# 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 = FeMo2Ti # 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 2.695410534e+02 2.695410534e+02 1.30 2.483751332e+02 2.483751332e+02 1.32 2.288742804e+02 2.288742804e+02 1.34 2.108889266e+02 2.108889266e+02 1.36 1.942815917e+02 1.942815917e+02 1.38 1.789283121e+02 1.789283121e+02 1.40 1.647195972e+02 1.647195972e+02 1.42 1.515602821e+02 1.515602821e+02 1.44 1.393682786e+02 1.393682786e+02 1.46 1.280724818e+02 1.280724818e+02 1.48 1.176102450e+02 1.176102450e+02 1.50 1.079250386e+02 1.079250386e+02 1.52 9.896476051e+01 9.896476051e+01 1.54 9.068076725e+01 9.068076725e+01 1.56 8.302740870e+01 8.302740870e+01 1.58 7.596173638e+01 7.596173638e+01 1.60 6.944316079e+01 6.944316079e+01 1.62 6.343306223e+01 6.343306223e+01 1.64 5.789444806e+01 5.789444806e+01 1.66 5.279170071e+01 5.279170071e+01 1.68 4.809045949e+01 4.809045949e+01 1.70 4.375770767e+01 4.375770767e+01 1.72 3.976206404e+01 3.976206404e+01 1.74 3.607414974e+01 3.607414974e+01 1.76 3.266686284e+01 3.266686284e+01 1.78 2.951550669e+01 2.951550669e+01 1.80 2.660034185e+01 2.660034185e+01 1.82 2.390501883e+01 2.390501883e+01 1.84 2.141171868e+01 2.141171868e+01 1.86 1.910517210e+01 1.910517210e+01 1.88 1.697230393e+01 1.697230393e+01 1.90 1.500176409e+01 1.500176409e+01 1.92 1.318340278e+01 1.318340278e+01 1.94 1.150780554e+01 1.150780554e+01 1.96 9.965970113e+00 9.965970113e+00 1.98 8.549137187e+00 8.549137187e+00 2.00 7.248729102e+00 7.248729102e+00 2.02 6.056340359e+00 6.056340359e+00 2.04 4.963751584e+00 4.963751584e+00 2.06 3.962966448e+00 3.962966448e+00 2.08 3.046277115e+00 3.046277115e+00 2.10 2.206353575e+00 2.206353575e+00 2.12 1.436340443e+00 1.436340443e+00 2.14 7.299421213e-01 7.299421213e-01 2.16 8.148122355e-02 8.148122355e-02 2.18 -5.140807360e-01 -5.140807360e-01 2.20 -1.061165475e+00 -1.061165475e+00 2.22 -1.563639352e+00 -1.563639352e+00 2.24 -2.024899105e+00 -2.024899105e+00 2.26 -2.447961568e+00 -2.447961568e+00 2.28 -2.835540298e+00 -2.835540298e+00 2.30 -3.190100853e+00 -3.190100853e+00 2.32 -3.513897100e+00 -3.513897100e+00 2.34 -3.808992940e+00 -3.808992940e+00 2.36 -4.077277570e+00 -4.077277570e+00 2.38 -4.320479612e+00 -4.320479612e+00 2.40 -4.540183953e+00 -4.540183953e+00 2.42 -4.737850835e+00 -4.737850835e+00 2.44 -4.914834071e+00 -4.914834071e+00 2.46 -5.072395965e+00 -5.072395965e+00 2.48 -5.211717664e+00 -5.211717664e+00 2.50 -5.333905217e+00 -5.333905217e+00 2.52 -5.439992058e+00 -5.439992058e+00 2.54 -5.530902020e+00 -5.530902020e+00 2.56 -5.607274284e+00 -5.607274284e+00 2.58 -5.670113414e+00 -5.670113414e+00 2.60 -5.720415103e+00 -5.720415103e+00 2.62 -5.759069764e+00 -5.759069764e+00 2.64 -5.786878428e+00 -5.786878428e+00 2.66 -5.804568757e+00 -5.804568757e+00 2.68 -5.812838140e+00 -5.812838140e+00 2.70 -5.812313430e+00 -5.812313430e+00 2.72 -5.803155756e+00 -5.803155756e+00 2.74 -5.785305437e+00 -5.785305437e+00 2.76 -5.758771944e+00 -5.758771944e+00 2.78 -5.723631088e+00 -5.723631088e+00 2.80 -5.680018153e+00 -5.680018153e+00 2.82 -5.628124925e+00 -5.628124925e+00 2.84 -5.568162524e+00 -5.568162524e+00 2.86 -5.500305586e+00 -5.500305586e+00 2.88 -5.424810937e+00 -5.424810937e+00 2.90 -5.342046567e+00 -5.342046567e+00 2.92 -5.252483895e+00 -5.252483895e+00 2.94 -5.156695356e+00 -5.156695356e+00 2.96 -5.055346918e+00 -5.055346918e+00 2.98 -4.949179920e+00 -4.949179920e+00 3.00 -4.838985823e+00 -4.838985823e+00 3.02 -4.725574412e+00 -4.725574412e+00 3.04 -4.609737246e+00 -4.609737246e+00 3.06 -4.492194610e+00 -4.492194610e+00 3.08 -4.373471398e+00 -4.373471398e+00 3.10 -4.253947838e+00 -4.253947838e+00 3.12 -4.133896182e+00 -4.133896182e+00 3.14 -4.013481961e+00 -4.013481961e+00 3.16 -3.892777805e+00 -3.892777805e+00 3.18 -3.771786925e+00 -3.771786925e+00 3.20 -3.650470222e+00 -3.650470222e+00 3.22 -3.528773229e+00 -3.528773229e+00 3.24 -3.406650043e+00 -3.406650043e+00 3.26 -3.284082988e+00 -3.284082988e+00 3.28 -3.161097850e+00 -3.161097850e+00 3.30 -3.037775179e+00 -3.037775179e+00 3.32 -2.914258331e+00 -2.914258331e+00 3.34 -2.790758781e+00 -2.790758781e+00 3.36 -2.667558849e+00 -2.667558849e+00 3.38 -2.545011515e+00 -2.545011515e+00 3.40 -2.423536648e+00 -2.423536648e+00 3.42 -2.303612973e+00 -2.303612973e+00 3.44 -2.185765034e+00 -2.185765034e+00 3.46 -2.070545521e+00 -2.070545521e+00 3.48 -1.958513514e+00 -1.958513514e+00 3.50 -1.850210273e+00 -1.850210273e+00 3.52 -1.746134567e+00 -1.746134567e+00 3.54 -1.646719771e+00 -1.646719771e+00 3.56 -1.552314765e+00 -1.552314765e+00 3.58 -1.463170317e+00 -1.463170317e+00 3.60 -1.379432023e+00 -1.379432023e+00 3.62 -1.301140159e+00 -1.301140159e+00 3.64 -1.228236097e+00 -1.228236097e+00 3.66 -1.160574136e+00 -1.160574136e+00 3.68 -1.097937122e+00 -1.097937122e+00 3.70 -1.040053913e+00 -1.040053913e+00 3.72 -9.866169107e-01 -9.866169107e-01 3.74 -9.372981675e-01 -9.372981675e-01 3.76 -8.917631588e-01 -8.917631588e-01 3.78 -8.496817635e-01 -8.496817635e-01 3.80 -8.107364350e-01 -8.107364350e-01 3.82 -7.746278084e-01 -7.746278084e-01 3.84 -7.410781407e-01 -7.410781407e-01 3.86 -7.098330246e-01 -7.098330246e-01 3.88 -6.806618010e-01 -6.806618010e-01 3.90 -6.533570418e-01 -6.533570418e-01 3.92 -6.277333821e-01 -6.277333821e-01 3.94 -6.036261143e-01 -6.036261143e-01 3.96 -5.808892763e-01 -5.808892763e-01 3.98 -5.593939849e-01 -5.593939849e-01 4.00 -5.390266187e-01 -5.390266187e-01 4.02 -5.196871166e-01 -5.196871166e-01 4.04 -5.012873886e-01 -5.012873886e-01 4.06 -4.837497579e-01 -4.837497579e-01 4.08 -4.670056605e-01 -4.670056605e-01 4.10 -4.509948756e-01 -4.509948756e-01 4.12 -4.356643251e-01 -4.356643251e-01 4.14 -4.209666241e-01 -4.209666241e-01 4.16 -4.068597066e-01 -4.068597066e-01 4.18 -3.933060421e-01 -3.933060421e-01 4.20 -3.802720380e-01 -3.802720380e-01 4.22 -3.677275190e-01 -3.677275190e-01 4.24 -3.556452730e-01 -3.556452730e-01 4.26 -3.440006595e-01 -3.440006595e-01 4.28 -3.327712693e-01 -3.327712693e-01 4.30 -3.219366324e-01 -3.219366324e-01 4.32 -3.114779644e-01 -3.114779644e-01 4.34 -3.013779488e-01 -3.013779488e-01 4.36 -2.916205478e-01 -2.916205478e-01 4.38 -2.821908392e-01 -2.821908392e-01 4.40 -2.730748752e-01 -2.730748752e-01 4.42 -2.642595589e-01 -2.642595589e-01 4.44 -2.557325374e-01 -2.557325374e-01 4.46 -2.474821082e-01 -2.474821082e-01 4.48 -2.394971365e-01 -2.394971365e-01 4.50 -2.317669839e-01 -2.317669839e-01 4.52 -2.242814441e-01 -2.242814441e-01 4.54 -2.170306875e-01 -2.170306875e-01 4.56 -2.100052125e-01 -2.100052125e-01 4.58 -2.031958030e-01 -2.031958030e-01 4.60 -1.965934928e-01 -1.965934928e-01 4.62 -1.901895372e-01 -1.901895372e-01 4.64 -1.839753910e-01 -1.839753910e-01 4.66 -1.779426954e-01 -1.779426954e-01 4.68 -1.720832750e-01 -1.720832750e-01 4.70 -1.663891452e-01 -1.663891452e-01 4.72 -1.608525333e-01 -1.608525333e-01 4.74 -1.554659151e-01 -1.554659151e-01 4.76 -1.502220683e-01 -1.502220683e-01 4.78 -1.451141446e-01 -1.451141446e-01 4.80 -1.401357196e-01 -1.401357196e-01 4.82 -1.352810771e-01 -1.352810771e-01 4.84 -1.305450596e-01 -1.305450596e-01 4.86 -1.259233927e-01 -1.259233927e-01 4.88 -1.214127661e-01 -1.214127661e-01 4.90 -1.170109490e-01 -1.170109490e-01 4.92 -1.127168737e-01 -1.127168737e-01 4.94 -1.085306671e-01 -1.085306671e-01 4.96 -1.044536123e-01 -1.044536123e-01 4.98 -1.004880275e-01 -1.004880275e-01 5.00 -9.663705653e-02 -9.663705653e-02 5.02 -9.290437512e-02 -9.290437512e-02 5.04 -8.929383269e-02 -8.929383269e-02 5.06 -8.580905972e-02 -8.580905972e-02 5.08 -8.245299058e-02 -8.245299058e-02 5.10 -7.922748296e-02 -7.922748296e-02 5.12 -7.613354178e-02 -7.613354178e-02 5.14 -7.317077041e-02 -7.317077041e-02 5.16 -7.033729306e-02 -7.033729306e-02 5.18 -6.762981698e-02 -6.762981698e-02 5.20 -6.504378236e-02 -6.504378236e-02 5.22 -6.257357266e-02 -6.257357266e-02 5.24 -6.021275578e-02 -6.021275578e-02 5.26 -5.795432983e-02 -5.795432983e-02 5.28 -5.579095260e-02 -5.579095260e-02 5.30 -5.371514124e-02 -5.371514124e-02 5.32 -5.171943491e-02 -5.171943491e-02 5.34 -4.979652062e-02 -4.979652062e-02 5.36 -4.793932381e-02 -4.793932381e-02 5.38 -4.614106906e-02 -4.614106906e-02 5.40 -4.439531878e-02 -4.439531878e-02 5.42 -4.269599667e-02 -4.269599667e-02 5.44 -4.103740258e-02 -4.103740258e-02 5.46 -3.941422485e-02 -3.941422485e-02 5.48 -3.782155511e-02 -3.782155511e-02 5.50 -3.625490969e-02 -3.625490969e-02 5.52 -3.471026043e-02 -3.471026043e-02 5.54 -3.318407704e-02 -3.318407704e-02 5.56 -3.167337850e-02 -3.167337850e-02 5.58 -3.017579730e-02 -3.017579730e-02 5.60 -2.868965084e-02 -2.868965084e-02 5.62 -2.721401520e-02 -2.721401520e-02 5.64 -2.574879532e-02 -2.574879532e-02 5.66 -2.429478353e-02 -2.429478353e-02 5.68 -2.285369712e-02 -2.285369712e-02 5.70 -2.142818503e-02 -2.142818503e-02 5.72 -2.002179470e-02 -2.002179470e-02 5.74 -1.863889181e-02 -1.863889181e-02 5.76 -1.728452634e-02 -1.728452634e-02 5.78 -1.596409715e-02 -1.596409715e-02 5.80 -1.468341675e-02 -1.468341675e-02 5.82 -1.344843700e-02 -1.344843700e-02 5.84 -1.226486332e-02 -1.226486332e-02 5.86 -1.113789342e-02 -1.113789342e-02 5.88 -1.007198400e-02 -1.007198400e-02 5.90 -9.070663405e-03 -9.070663405e-03 5.92 -8.136403388e-03 -8.136403388e-03 5.94 -7.270556486e-03 -7.270556486e-03 5.96 -6.473358844e-03 -6.473358844e-03 5.98 -5.743991846e-03 -5.743991846e-03 6.00 -5.080691310e-03 -5.080691310e-03