# 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 = FeNiTi2 # 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 1.978996642e+02 1.978996642e+02 1.30 1.818681204e+02 1.818681204e+02 1.32 1.671086527e+02 1.671086527e+02 1.34 1.535091891e+02 1.535091891e+02 1.36 1.409699799e+02 1.409699799e+02 1.38 1.294035286e+02 1.294035286e+02 1.40 1.187323993e+02 1.187323993e+02 1.42 1.088868368e+02 1.088868368e+02 1.44 9.980351185e+01 9.980351185e+01 1.46 9.142497643e+01 9.142497643e+01 1.48 8.369884287e+01 8.369884287e+01 1.50 7.657661038e+01 7.657661038e+01 1.52 7.001272449e+01 7.001272449e+01 1.54 6.396419836e+01 6.396419836e+01 1.56 5.839065923e+01 5.839065923e+01 1.58 5.325448111e+01 5.325448111e+01 1.60 4.852082135e+01 4.852082135e+01 1.62 4.415761657e+01 4.415761657e+01 1.64 4.013553143e+01 4.013553143e+01 1.66 3.642770356e+01 3.642770356e+01 1.68 3.300928916e+01 3.300928916e+01 1.70 2.985707919e+01 2.985707919e+01 1.72 2.694941902e+01 2.694941902e+01 1.74 2.426650579e+01 2.426650579e+01 1.76 2.179069124e+01 2.179069124e+01 1.78 1.950577325e+01 1.950577325e+01 1.80 1.739734315e+01 1.739734315e+01 1.82 1.545253827e+01 1.545253827e+01 1.84 1.365981132e+01 1.365981132e+01 1.86 1.200867057e+01 1.200867057e+01 1.88 1.048938581e+01 1.048938581e+01 1.90 9.092721533e+00 9.092721533e+00 1.92 7.809760431e+00 7.809760431e+00 1.94 6.631855790e+00 6.631855790e+00 1.96 5.550706849e+00 5.550706849e+00 1.98 4.558498248e+00 4.558498248e+00 2.00 3.648011065e+00 3.648011065e+00 2.02 2.812649058e+00 2.812649058e+00 2.04 2.046398976e+00 2.046398976e+00 2.06 1.343782951e+00 1.343782951e+00 2.08 6.998391075e-01 6.998391075e-01 2.10 1.101205390e-01 1.101205390e-01 2.12 -4.293222925e-01 -4.293222925e-01 2.14 -9.219987221e-01 -9.219987221e-01 2.16 -1.371067983e+00 -1.371067983e+00 2.18 -1.779440133e+00 -1.779440133e+00 2.20 -2.149866826e+00 -2.149866826e+00 2.22 -2.485010564e+00 -2.485010564e+00 2.24 -2.787484939e+00 -2.787484939e+00 2.26 -3.059862698e+00 -3.059862698e+00 2.28 -3.304655004e+00 -3.304655004e+00 2.30 -3.524271740e+00 -3.524271740e+00 2.32 -3.720977908e+00 -3.720977908e+00 2.34 -3.896852963e+00 -3.896852963e+00 2.36 -4.053761160e+00 -4.053761160e+00 2.38 -4.193336900e+00 -4.193336900e+00 2.40 -4.316990831e+00 -4.316990831e+00 2.42 -4.425936619e+00 -4.425936619e+00 2.44 -4.521231183e+00 -4.521231183e+00 2.46 -4.603818577e+00 -4.603818577e+00 2.48 -4.674567832e+00 -4.674567832e+00 2.50 -4.734299450e+00 -4.734299450e+00 2.52 -4.783799067e+00 -4.783799067e+00 2.54 -4.823833890e+00 -4.823833890e+00 2.56 -4.855233149e+00 -4.855233149e+00 2.58 -4.878577795e+00 -4.878577795e+00 2.60 -4.894381427e+00 -4.894381427e+00 2.62 -4.903144834e+00 -4.903144834e+00 2.64 -4.905350342e+00 -4.905350342e+00 2.66 -4.901463533e+00 -4.901463533e+00 2.68 -4.891936311e+00 -4.891936311e+00 2.70 -4.877171970e+00 -4.877171970e+00 2.72 -4.857361319e+00 -4.857361319e+00 2.74 -4.832660316e+00 -4.832660316e+00 2.76 -4.803264292e+00 -4.803264292e+00 2.78 -4.769299664e+00 -4.769299664e+00 2.80 -4.730822667e+00 -4.730822667e+00 2.82 -4.687932267e+00 -4.687932267e+00 2.84 -4.640763829e+00 -4.640763829e+00 2.86 -4.589491744e+00 -4.589491744e+00 2.88 -4.534327376e+00 -4.534327376e+00 2.90 -4.475516322e+00 -4.475516322e+00 2.92 -4.413334149e+00 -4.413334149e+00 2.94 -4.348080502e+00 -4.348080502e+00 2.96 -4.280072603e+00 -4.280072603e+00 2.98 -4.209614568e+00 -4.209614568e+00 3.00 -4.136933195e+00 -4.136933195e+00 3.02 -4.062257828e+00 -4.062257828e+00 3.04 -3.985835771e+00 -3.985835771e+00 3.06 -3.907921865e+00 -3.907921865e+00 3.08 -3.828765930e+00 -3.828765930e+00 3.10 -3.748602409e+00 -3.748602409e+00 3.12 -3.667643559e+00 -3.667643559e+00 3.14 -3.586078807e+00 -3.586078807e+00 3.16 -3.504078727e+00 -3.504078727e+00 3.18 -3.421803058e+00 -3.421803058e+00 3.20 -3.339409029e+00 -3.339409029e+00 3.22 -3.257058213e+00 -3.257058213e+00 3.24 -3.174920444e+00 -3.174920444e+00 3.26 -3.093174291e+00 -3.093174291e+00 3.28 -3.012004304e+00 -3.012004304e+00 3.30 -2.931595725e+00 -2.931595725e+00 3.32 -2.852127683e+00 -2.852127683e+00 3.34 -2.773766002e+00 -2.773766002e+00 3.36 -2.696656758e+00 -2.696656758e+00 3.38 -2.620921557e+00 -2.620921557e+00 3.40 -2.546655165e+00 -2.546655165e+00 3.42 -2.473925963e+00 -2.473925963e+00 3.44 -2.402778625e+00 -2.402778625e+00 3.46 -2.333239136e+00 -2.333239136e+00 3.48 -2.265320728e+00 -2.265320728e+00 3.50 -2.199029854e+00 -2.199029854e+00 3.52 -2.134370958e+00 -2.134370958e+00 3.54 -2.071349091e+00 -2.071349091e+00 3.56 -2.009969889e+00 -2.009969889e+00 3.58 -1.950237120e+00 -1.950237120e+00 3.60 -1.892148738e+00 -1.892148738e+00 3.62 -1.835692767e+00 -1.835692767e+00 3.64 -1.780844391e+00 -1.780844391e+00 3.66 -1.727565085e+00 -1.727565085e+00 3.68 -1.675804015e+00 -1.675804015e+00 3.70 -1.625501240e+00 -1.625501240e+00 3.72 -1.576591968e+00 -1.576591968e+00 3.74 -1.529011024e+00 -1.529011024e+00 3.76 -1.482696881e+00 -1.482696881e+00 3.78 -1.437594864e+00 -1.437594864e+00 3.80 -1.393659314e+00 -1.393659314e+00 3.82 -1.350854658e+00 -1.350854658e+00 3.84 -1.309155428e+00 -1.309155428e+00 3.86 -1.268545285e+00 -1.268545285e+00 3.88 -1.229015214e+00 -1.229015214e+00 3.90 -1.190561106e+00 -1.190561106e+00 3.92 -1.153180968e+00 -1.153180968e+00 3.94 -1.116872426e+00 -1.116872426e+00 3.96 -1.081630032e+00 -1.081630032e+00 3.98 -1.047443771e+00 -1.047443771e+00 4.00 -1.014298005e+00 -1.014298005e+00 4.02 -9.821712359e-01 -9.821712359e-01 4.04 -9.510364987e-01 -9.510364987e-01 4.06 -9.208621869e-01 -9.208621869e-01 4.08 -8.916131193e-01 -8.916131193e-01 4.10 -8.632515283e-01 -8.632515283e-01 4.12 -8.357386626e-01 -8.357386626e-01 4.14 -8.090348216e-01 -8.090348216e-01 4.16 -7.831007108e-01 -7.831007108e-01 4.18 -7.578978700e-01 -7.578978700e-01 4.20 -7.333891507e-01 -7.333891507e-01 4.22 -7.095391235e-01 -7.095391235e-01 4.24 -6.863144604e-01 -6.863144604e-01 4.26 -6.636843269e-01 -6.636843269e-01 4.28 -6.416208066e-01 -6.416208066e-01 4.30 -6.200993642e-01 -6.200993642e-01 4.32 -5.990993320e-01 -5.990993320e-01 4.34 -5.786043853e-01 -5.786043853e-01 4.36 -5.586029502e-01 -5.586029502e-01 4.38 -5.390884724e-01 -5.390884724e-01 4.40 -5.200594655e-01 -5.200594655e-01 4.42 -5.015192659e-01 -5.015192659e-01 4.44 -4.834754389e-01 -4.834754389e-01 4.46 -4.659388217e-01 -4.659388217e-01 4.48 -4.489222408e-01 -4.489222408e-01 4.50 -4.324389945e-01 -4.324389945e-01 4.52 -4.165012408e-01 -4.165012408e-01 4.54 -4.011184561e-01 -4.011184561e-01 4.56 -3.862961294e-01 -3.862961294e-01 4.58 -3.720348220e-01 -3.720348220e-01 4.60 -3.583296709e-01 -3.583296709e-01 4.62 -3.451703476e-01 -3.451703476e-01 4.64 -3.325414243e-01 -3.325414243e-01 4.66 -3.204230591e-01 -3.204230591e-01 4.68 -3.087918878e-01 -3.087918878e-01 4.70 -2.976220132e-01 -2.976220132e-01 4.72 -2.868859969e-01 -2.868859969e-01 4.74 -2.765557891e-01 -2.765557891e-01 4.76 -2.666035539e-01 -2.666035539e-01 4.78 -2.570023768e-01 -2.570023768e-01 4.80 -2.477267716e-01 -2.477267716e-01 4.82 -2.387535144e-01 -2.387535144e-01 4.84 -2.300614967e-01 -2.300614967e-01 4.86 -2.216324261e-01 -2.216324261e-01 4.88 -2.134509736e-01 -2.134509736e-01 4.90 -2.055049433e-01 -2.055049433e-01 4.92 -1.977853510e-01 -1.977853510e-01 4.94 -1.902863894e-01 -1.902863894e-01 4.96 -1.830052579e-01 -1.830052579e-01 4.98 -1.759418382e-01 -1.759418382e-01 5.00 -1.690982118e-01 -1.690982118e-01 5.02 -1.624780328e-01 -1.624780328e-01 5.04 -1.560857902e-01 -1.560857902e-01 5.06 -1.499260165e-01 -1.499260165e-01 5.08 -1.440024609e-01 -1.440024609e-01 5.10 -1.383171576e-01 -1.383171576e-01 5.12 -1.328706999e-01 -1.328706999e-01 5.14 -1.276614399e-01 -1.276614399e-01 5.16 -1.226852433e-01 -1.226852433e-01 5.18 -1.179355711e-01 -1.179355711e-01 5.20 -1.134037248e-01 -1.134037248e-01 5.22 -1.090792051e-01 -1.090792051e-01 5.24 -1.049501297e-01 -1.049501297e-01 5.26 -1.010036629e-01 -1.010036629e-01 5.28 -9.722641817e-02 -9.722641817e-02 5.30 -9.360480964e-02 -9.360480964e-02 5.32 -9.012533814e-02 -9.012533814e-02 5.34 -8.677481066e-02 -8.677481066e-02 5.36 -8.354049758e-02 -8.354049758e-02 5.38 -8.041023757e-02 -8.041023757e-02 5.40 -7.737250240e-02 -7.737250240e-02 5.42 -7.441643421e-02 -7.441643421e-02 5.44 -7.153186735e-02 -7.153186735e-02 5.46 -6.870934554e-02 -6.870934554e-02 5.48 -6.594014342e-02 -6.594014342e-02 5.50 -6.321629956e-02 -6.321629956e-02 5.52 -6.053066624e-02 -6.053066624e-02 5.54 -5.787697890e-02 -5.787697890e-02 5.56 -5.524994598e-02 -5.524994598e-02 5.58 -5.264535729e-02 -5.264535729e-02 5.60 -5.006020595e-02 -5.006020595e-02 5.62 -4.749281608e-02 -4.749281608e-02 5.64 -4.494296484e-02 -4.494296484e-02 5.66 -4.241198492e-02 -4.241198492e-02 5.68 -3.990283088e-02 -3.990283088e-02 5.70 -3.742009242e-02 -3.742009242e-02 5.72 -3.496993813e-02 -3.496993813e-02 5.74 -3.255997722e-02 -3.255997722e-02 5.76 -3.019903268e-02 -3.019903268e-02 5.78 -2.789682808e-02 -2.789682808e-02 5.80 -2.566359715e-02 -2.566359715e-02 5.82 -2.350964128e-02 -2.350964128e-02 5.84 -2.144486347e-02 -2.144486347e-02 5.86 -1.947831282e-02 -1.947831282e-02 5.88 -1.761777565e-02 -1.761777565e-02 5.90 -1.586944486e-02 -1.586944486e-02 5.92 -1.423756080e-02 -1.423756080e-02 5.94 -1.272425070e-02 -1.272425070e-02 5.96 -1.133022736e-02 -1.133022736e-02 5.98 -1.005432798e-02 -1.005432798e-02 6.00 -8.893668999e-03 -8.893668999e-03