# 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 = FeTiZr2 # 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 3.102529007e+02 3.102529007e+02 1.30 2.871229106e+02 2.871229106e+02 1.32 2.657245478e+02 2.657245478e+02 1.34 2.459160009e+02 2.459160009e+02 1.36 2.275689556e+02 2.275689556e+02 1.38 2.105680851e+02 2.105680851e+02 1.40 1.948097508e+02 1.948097508e+02 1.42 1.801998190e+02 1.801998190e+02 1.44 1.666519065e+02 1.666519065e+02 1.46 1.540869313e+02 1.540869313e+02 1.48 1.424331164e+02 1.424331164e+02 1.50 1.316251248e+02 1.316251248e+02 1.52 1.216024058e+02 1.216024058e+02 1.54 1.123077602e+02 1.123077602e+02 1.56 1.036869389e+02 1.036869389e+02 1.58 9.568914859e+01 9.568914859e+01 1.60 8.826752930e+01 8.826752930e+01 1.62 8.137907560e+01 8.137907560e+01 1.64 7.498417010e+01 7.498417010e+01 1.66 6.904609137e+01 6.904609137e+01 1.68 6.353070179e+01 6.353070179e+01 1.70 5.840646686e+01 5.840646686e+01 1.72 5.364451930e+01 5.364451930e+01 1.74 4.921864900e+01 4.921864900e+01 1.76 4.510505671e+01 4.510505671e+01 1.78 4.128198703e+01 4.128198703e+01 1.80 3.772930029e+01 3.772930029e+01 1.82 3.442816292e+01 3.442816292e+01 1.84 3.136074391e+01 3.136074391e+01 1.86 2.851019287e+01 2.851019287e+01 1.88 2.586074634e+01 2.586074634e+01 1.90 2.339789568e+01 2.339789568e+01 1.92 2.110840899e+01 2.110840899e+01 1.94 1.898057700e+01 1.898057700e+01 1.96 1.700407199e+01 1.700407199e+01 1.98 1.516862224e+01 1.516862224e+01 2.00 1.346459514e+01 1.346459514e+01 2.02 1.188290505e+01 1.188290505e+01 2.04 1.041511335e+01 1.041511335e+01 2.06 9.053320046e+00 9.053320046e+00 2.08 7.790117286e+00 7.790117286e+00 2.10 6.618568650e+00 6.618568650e+00 2.12 5.532220376e+00 5.532220376e+00 2.14 4.525112462e+00 4.525112462e+00 2.16 3.591801429e+00 3.591801429e+00 2.18 2.727332603e+00 2.727332603e+00 2.20 1.927181109e+00 1.927181109e+00 2.22 1.187144732e+00 1.187144732e+00 2.24 5.032644230e-01 5.032644230e-01 2.26 -1.282080506e-01 -1.282080506e-01 2.28 -7.108128520e-01 -7.108128520e-01 2.30 -1.247824760e+00 -1.247824760e+00 2.32 -1.742274130e+00 -1.742274130e+00 2.34 -2.196910174e+00 -2.196910174e+00 2.36 -2.614259258e+00 -2.614259258e+00 2.38 -2.996658861e+00 -2.996658861e+00 2.40 -3.346302335e+00 -3.346302335e+00 2.42 -3.665287537e+00 -3.665287537e+00 2.44 -3.955642460e+00 -3.955642460e+00 2.46 -4.219350743e+00 -4.219350743e+00 2.48 -4.458350696e+00 -4.458350696e+00 2.50 -4.674519359e+00 -4.674519359e+00 2.52 -4.869645834e+00 -4.869645834e+00 2.54 -5.045401773e+00 -5.045401773e+00 2.56 -5.203316901e+00 -5.203316901e+00 2.58 -5.344766309e+00 -5.344766309e+00 2.60 -5.470972972e+00 -5.470972972e+00 2.62 -5.583019928e+00 -5.583019928e+00 2.64 -5.681889167e+00 -5.681889167e+00 2.66 -5.768458593e+00 -5.768458593e+00 2.68 -5.843538767e+00 -5.843538767e+00 2.70 -5.907879348e+00 -5.907879348e+00 2.72 -5.962175211e+00 -5.962175211e+00 2.74 -6.007153032e+00 -6.007153032e+00 2.76 -6.043418852e+00 -6.043418852e+00 2.78 -6.071382208e+00 -6.071382208e+00 2.80 -6.091440878e+00 -6.091440878e+00 2.82 -6.103962085e+00 -6.103962085e+00 2.84 -6.109298976e+00 -6.109298976e+00 2.86 -6.107793691e+00 -6.107793691e+00 2.88 -6.099785445e+00 -6.099785445e+00 2.90 -6.085587600e+00 -6.085587600e+00 2.92 -6.065302439e+00 -6.065302439e+00 2.94 -6.038994624e+00 -6.038994624e+00 2.96 -6.006841499e+00 -6.006841499e+00 2.98 -5.969034190e+00 -5.969034190e+00 3.00 -5.925787219e+00 -5.925787219e+00 3.02 -5.877365714e+00 -5.877365714e+00 3.04 -5.824068249e+00 -5.824068249e+00 3.06 -5.766230661e+00 -5.766230661e+00 3.08 -5.704187351e+00 -5.704187351e+00 3.10 -5.638281068e+00 -5.638281068e+00 3.12 -5.568848962e+00 -5.568848962e+00 3.14 -5.496224270e+00 -5.496224270e+00 3.16 -5.420673654e+00 -5.420673654e+00 3.18 -5.342464499e+00 -5.342464499e+00 3.20 -5.261882241e+00 -5.261882241e+00 3.22 -5.179224791e+00 -5.179224791e+00 3.24 -5.094807500e+00 -5.094807500e+00 3.26 -5.008962085e+00 -5.008962085e+00 3.28 -4.922033534e+00 -4.922033534e+00 3.30 -4.834374323e+00 -4.834374323e+00 3.32 -4.746335232e+00 -4.746335232e+00 3.34 -4.658253177e+00 -4.658253177e+00 3.36 -4.570437679e+00 -4.570437679e+00 3.38 -4.483129202e+00 -4.483129202e+00 3.40 -4.396466963e+00 -4.396466963e+00 3.42 -4.310557673e+00 -4.310557673e+00 3.44 -4.225472271e+00 -4.225472271e+00 3.46 -4.141257518e+00 -4.141257518e+00 3.48 -4.057939494e+00 -4.057939494e+00 3.50 -3.975529998e+00 -3.975529998e+00 3.52 -3.894032373e+00 -3.894032373e+00 3.54 -3.813445898e+00 -3.813445898e+00 3.56 -3.733768408e+00 -3.733768408e+00 3.58 -3.654997252e+00 -3.654997252e+00 3.60 -3.577129001e+00 -3.577129001e+00 3.62 -3.500158566e+00 -3.500158566e+00 3.64 -3.424078387e+00 -3.424078387e+00 3.66 -3.348878213e+00 -3.348878213e+00 3.68 -3.274545777e+00 -3.274545777e+00 3.70 -3.201068393e+00 -3.201068393e+00 3.72 -3.128435329e+00 -3.128435329e+00 3.74 -3.056640718e+00 -3.056640718e+00 3.76 -2.985686670e+00 -2.985686670e+00 3.78 -2.915586232e+00 -2.915586232e+00 3.80 -2.846365745e+00 -2.846365745e+00 3.82 -2.778066113e+00 -2.778066113e+00 3.84 -2.710742502e+00 -2.710742502e+00 3.86 -2.644462111e+00 -2.644462111e+00 3.88 -2.579299980e+00 -2.579299980e+00 3.90 -2.515333200e+00 -2.515333200e+00 3.92 -2.452630862e+00 -2.452630862e+00 3.94 -2.391262306e+00 -2.391262306e+00 3.96 -2.331269155e+00 -2.331269155e+00 3.98 -2.272678676e+00 -2.272678676e+00 4.00 -2.215498931e+00 -2.215498931e+00 4.02 -2.159720357e+00 -2.159720357e+00 4.04 -2.105318826e+00 -2.105318826e+00 4.06 -2.052259455e+00 -2.052259455e+00 4.08 -2.000500482e+00 -2.000500482e+00 4.10 -1.949988947e+00 -1.949988947e+00 4.12 -1.900695964e+00 -1.900695964e+00 4.14 -1.852567476e+00 -1.852567476e+00 4.16 -1.805561555e+00 -1.805561555e+00 4.18 -1.759639506e+00 -1.759639506e+00 4.20 -1.714766097e+00 -1.714766097e+00 4.22 -1.670909473e+00 -1.670909473e+00 4.24 -1.628040888e+00 -1.628040888e+00 4.26 -1.586134338e+00 -1.586134338e+00 4.28 -1.545166180e+00 -1.545166180e+00 4.30 -1.505114755e+00 -1.505114755e+00 4.32 -1.465960070e+00 -1.465960070e+00 4.34 -1.427683528e+00 -1.427683528e+00 4.36 -1.390267708e+00 -1.390267708e+00 4.38 -1.353696195e+00 -1.353696195e+00 4.40 -1.317953433e+00 -1.317953433e+00 4.42 -1.283024609e+00 -1.283024609e+00 4.44 -1.248895531e+00 -1.248895531e+00 4.46 -1.215552516e+00 -1.215552516e+00 4.48 -1.182982274e+00 -1.182982274e+00 4.50 -1.151171788e+00 -1.151171788e+00 4.52 -1.120108192e+00 -1.120108192e+00 4.54 -1.089778661e+00 -1.089778661e+00 4.56 -1.060170306e+00 -1.060170306e+00 4.58 -1.031270087e+00 -1.031270087e+00 4.60 -1.003064742e+00 -1.003064742e+00 4.62 -9.755407412e-01 -9.755407412e-01 4.64 -9.486842594e-01 -9.486842594e-01 4.66 -9.224811729e-01 -9.224811729e-01 4.68 -8.969170784e-01 -8.969170784e-01 4.70 -8.719773303e-01 -8.719773303e-01 4.72 -8.476470992e-01 -8.476470992e-01 4.74 -8.239114453e-01 -8.239114453e-01 4.76 -8.007554104e-01 -8.007554104e-01 4.78 -7.781641227e-01 -7.781641227e-01 4.80 -7.561167921e-01 -7.561167921e-01 4.82 -7.346123735e-01 -7.346123735e-01 4.84 -7.136296701e-01 -7.136296701e-01 4.86 -6.931554695e-01 -6.931554695e-01 4.88 -6.731772988e-01 -6.731772988e-01 4.90 -6.536835402e-01 -6.536835402e-01 4.92 -6.346635149e-01 -6.346635149e-01 4.94 -6.161075169e-01 -6.161075169e-01 4.96 -5.980067845e-01 -5.980067845e-01 4.98 -5.803533946e-01 -5.803533946e-01 5.00 -5.631400768e-01 -5.631400768e-01 5.02 -5.463599515e-01 -5.463599515e-01 5.04 -5.300062096e-01 -5.300062096e-01 5.06 -5.140717633e-01 -5.140717633e-01 5.08 -4.985489020e-01 -4.985489020e-01 5.10 -4.834289974e-01 -4.834289974e-01 5.12 -4.687022887e-01 -4.687022887e-01 5.14 -4.543577784e-01 -4.543577784e-01 5.16 -4.403832496e-01 -4.403832496e-01 5.18 -4.267654048e-01 -4.267654048e-01 5.20 -4.134901133e-01 -4.134901133e-01 5.22 -4.005427470e-01 -4.005427470e-01 5.24 -3.879085775e-01 -3.879085775e-01 5.26 -3.755732095e-01 -3.755732095e-01 5.28 -3.635230250e-01 -3.635230250e-01 5.30 -3.517456148e-01 -3.517456148e-01 5.32 -3.402301743e-01 -3.402301743e-01 5.34 -3.289678427e-01 -3.289678427e-01 5.36 -3.179519600e-01 -3.179519600e-01 5.38 -3.071782223e-01 -3.071782223e-01 5.40 -2.966447110e-01 -2.966447110e-01 5.42 -2.863517813e-01 -2.863517813e-01 5.44 -2.763018014e-01 -2.763018014e-01 5.46 -2.664987492e-01 -2.664987492e-01 5.48 -2.569476857e-01 -2.569476857e-01 5.50 -2.476541450e-01 -2.476541450e-01 5.52 -2.386234907e-01 -2.386234907e-01 5.54 -2.298602980e-01 -2.298602980e-01 5.56 -2.213678203e-01 -2.213678203e-01 5.58 -2.131475897e-01 -2.131475897e-01 5.60 -2.051991844e-01 -2.051991844e-01 5.62 -1.975201731e-01 -1.975201731e-01 5.64 -1.901062269e-01 -1.901062269e-01 5.66 -1.829513674e-01 -1.829513674e-01 5.68 -1.760483082e-01 -1.760483082e-01 5.70 -1.693888389e-01 -1.693888389e-01 5.72 -1.629642033e-01 -1.629642033e-01 5.74 -1.567654308e-01 -1.567654308e-01 5.76 -1.507835903e-01 -1.507835903e-01 5.78 -1.450099480e-01 -1.450099480e-01 5.80 -1.394360294e-01 -1.394360294e-01 5.82 -1.340535745e-01 -1.340535745e-01 5.84 -1.288542133e-01 -1.288542133e-01 5.86 -1.238299115e-01 -1.238299115e-01 5.88 -1.189725835e-01 -1.189725835e-01 5.90 -1.142738289e-01 -1.142738289e-01 5.92 -1.097248493e-01 -1.097248493e-01 5.94 -1.053164179e-01 -1.053164179e-01 5.96 -1.010389074e-01 -1.010389074e-01 5.98 -9.688237929e-02 -9.688237929e-02 6.00 -9.283672801e-02 -9.283672801e-02