# 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 = FeTa2Ti # 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 3.096064068e+02 3.096064068e+02 1.30 2.858588332e+02 2.858588332e+02 1.32 2.639266453e+02 2.639266453e+02 1.34 2.436576481e+02 2.436576481e+02 1.36 2.249155688e+02 2.249155688e+02 1.38 2.075784208e+02 2.075784208e+02 1.40 1.915367940e+02 1.915367940e+02 1.42 1.766921473e+02 1.766921473e+02 1.44 1.629550223e+02 1.629550223e+02 1.46 1.502431414e+02 1.502431414e+02 1.48 1.384795372e+02 1.384795372e+02 1.50 1.275911404e+02 1.275911404e+02 1.52 1.175082613e+02 1.175082613e+02 1.54 1.081650755e+02 1.081650755e+02 1.56 9.950072239e+01 9.950072239e+01 1.58 9.146027196e+01 9.146027196e+01 1.60 8.399499180e+01 8.399499180e+01 1.62 7.706187770e+01 7.706187770e+01 1.64 7.062276358e+01 7.062276358e+01 1.66 6.464333072e+01 6.464333072e+01 1.68 5.909223800e+01 5.909223800e+01 1.70 5.394049628e+01 5.394049628e+01 1.72 4.916108333e+01 4.916108333e+01 1.74 4.472869957e+01 4.472869957e+01 1.76 4.061957908e+01 4.061957908e+01 1.78 3.681135250e+01 3.681135250e+01 1.80 3.328298668e+01 3.328298668e+01 1.82 3.001478379e+01 3.001478379e+01 1.84 2.698837970e+01 2.698837970e+01 1.86 2.418668917e+01 2.418668917e+01 1.88 2.159811379e+01 2.159811379e+01 1.90 1.921336196e+01 1.921336196e+01 1.92 1.701755769e+01 1.701755769e+01 1.94 1.499645934e+01 1.499645934e+01 1.96 1.313611682e+01 1.313611682e+01 1.98 1.142315917e+01 1.142315917e+01 2.00 9.844848837e+00 9.844848837e+00 2.02 8.389295568e+00 8.389295568e+00 2.04 7.045691936e+00 7.045691936e+00 2.06 5.804490442e+00 5.804490442e+00 2.08 4.657464799e+00 4.657464799e+00 2.10 3.597637436e+00 3.597637436e+00 2.12 2.619096953e+00 2.619096953e+00 2.14 1.716758346e+00 1.716758346e+00 2.16 8.861231621e-01 8.861231621e-01 2.18 1.230788832e-01 1.230788832e-01 2.20 -5.762486894e-01 -5.762486894e-01 2.22 -1.215595537e+00 -1.215595537e+00 2.24 -1.798622939e+00 -1.798622939e+00 2.26 -2.328953718e+00 -2.328953718e+00 2.28 -2.810187473e+00 -2.810187473e+00 2.30 -3.245898545e+00 -3.245898545e+00 2.32 -3.639619825e+00 -3.639619825e+00 2.34 -3.994810686e+00 -3.994810686e+00 2.36 -4.314809665e+00 -4.314809665e+00 2.38 -4.602776290e+00 -4.602776290e+00 2.40 -4.861633416e+00 -4.861633416e+00 2.42 -5.094023227e+00 -5.094023227e+00 2.44 -5.302286421e+00 -5.302286421e+00 2.46 -5.488467861e+00 -5.488467861e+00 2.48 -5.654344657e+00 -5.654344657e+00 2.50 -5.801468141e+00 -5.801468141e+00 2.52 -5.931209683e+00 -5.931209683e+00 2.54 -6.044801977e+00 -6.044801977e+00 2.56 -6.143208749e+00 -6.143208749e+00 2.58 -6.227488306e+00 -6.227488306e+00 2.60 -6.298821499e+00 -6.298821499e+00 2.62 -6.358279386e+00 -6.358279386e+00 2.64 -6.406835264e+00 -6.406835264e+00 2.66 -6.445371109e+00 -6.445371109e+00 2.68 -6.474681257e+00 -6.474681257e+00 2.70 -6.495474401e+00 -6.495474401e+00 2.72 -6.508248741e+00 -6.508248741e+00 2.74 -6.513116335e+00 -6.513116335e+00 2.76 -6.510155730e+00 -6.510155730e+00 2.78 -6.499467285e+00 -6.499467285e+00 2.80 -6.481165884e+00 -6.481165884e+00 2.82 -6.455379122e+00 -6.455379122e+00 2.84 -6.422293668e+00 -6.422293668e+00 2.86 -6.382054734e+00 -6.382054734e+00 2.88 -6.334793317e+00 -6.334793317e+00 2.90 -6.280678090e+00 -6.280678090e+00 2.92 -6.219915279e+00 -6.219915279e+00 2.94 -6.152746547e+00 -6.152746547e+00 2.96 -6.079445239e+00 -6.079445239e+00 2.98 -6.000311360e+00 -6.000311360e+00 3.00 -5.915654375e+00 -5.915654375e+00 3.02 -5.825728359e+00 -5.825728359e+00 3.04 -5.730781978e+00 -5.730781978e+00 3.06 -5.631081741e+00 -5.631081741e+00 3.08 -5.526892450e+00 -5.526892450e+00 3.10 -5.418468543e+00 -5.418468543e+00 3.12 -5.306056206e+00 -5.306056206e+00 3.14 -5.189900409e+00 -5.189900409e+00 3.16 -5.070259063e+00 -5.070259063e+00 3.18 -4.947422617e+00 -4.947422617e+00 3.20 -4.821734482e+00 -4.821734482e+00 3.22 -4.693608798e+00 -4.693608798e+00 3.24 -4.563527394e+00 -4.563527394e+00 3.26 -4.431984771e+00 -4.431984771e+00 3.28 -4.299543741e+00 -4.299543741e+00 3.30 -4.166842094e+00 -4.166842094e+00 3.32 -4.034562000e+00 -4.034562000e+00 3.34 -3.903392788e+00 -3.903392788e+00 3.36 -3.773991105e+00 -3.773991105e+00 3.38 -3.646943006e+00 -3.646943006e+00 3.40 -3.522732286e+00 -3.522732286e+00 3.42 -3.401718432e+00 -3.401718432e+00 3.44 -3.284125779e+00 -3.284125779e+00 3.46 -3.170044098e+00 -3.170044098e+00 3.48 -3.059438973e+00 -3.059438973e+00 3.50 -2.952169471e+00 -2.952169471e+00 3.52 -2.848010190e+00 -2.848010190e+00 3.54 -2.746674855e+00 -2.746674855e+00 3.56 -2.647839300e+00 -2.647839300e+00 3.58 -2.551162457e+00 -2.551162457e+00 3.60 -2.456304846e+00 -2.456304846e+00 3.62 -2.362944704e+00 -2.362944704e+00 3.64 -2.270792234e+00 -2.270792234e+00 3.66 -2.179602384e+00 -2.179602384e+00 3.68 -2.089186341e+00 -2.089186341e+00 3.70 -1.999421477e+00 -1.999421477e+00 3.72 -1.910259176e+00 -1.910259176e+00 3.74 -1.821729755e+00 -1.821729755e+00 3.76 -1.733943657e+00 -1.733943657e+00 3.78 -1.647088247e+00 -1.647088247e+00 3.80 -1.561419873e+00 -1.561419873e+00 3.82 -1.477251264e+00 -1.477251264e+00 3.84 -1.394934876e+00 -1.394934876e+00 3.86 -1.314843309e+00 -1.314843309e+00 3.88 -1.237348323e+00 -1.237348323e+00 3.90 -1.162800226e+00 -1.162800226e+00 3.92 -1.091509361e+00 -1.091509361e+00 3.94 -1.023731310e+00 -1.023731310e+00 3.96 -9.596564656e-01 -9.596564656e-01 3.98 -8.994049114e-01 -8.994049114e-01 4.00 -8.430260628e-01 -8.430260628e-01 4.02 -7.905025940e-01 -7.905025940e-01 4.04 -7.417576610e-01 -7.417576610e-01 4.06 -6.966643084e-01 -6.966643084e-01 4.08 -6.550559657e-01 -6.550559657e-01 4.10 -6.167369953e-01 -6.167369953e-01 4.12 -5.814930843e-01 -5.814930843e-01 4.14 -5.490995928e-01 -5.490995928e-01 4.16 -5.193294826e-01 -5.193294826e-01 4.18 -4.919592419e-01 -4.919592419e-01 4.20 -4.667734622e-01 -4.667734622e-01 4.22 -4.435680916e-01 -4.435680916e-01 4.24 -4.221525461e-01 -4.221525461e-01 4.26 -4.023508800e-01 -4.023508800e-01 4.28 -3.840022153e-01 -3.840022153e-01 4.30 -3.669606114e-01 -3.669606114e-01 4.32 -3.510945335e-01 -3.510945335e-01 4.34 -3.362860494e-01 -3.362860494e-01 4.36 -3.224298621e-01 -3.224298621e-01 4.38 -3.094322534e-01 -3.094322534e-01 4.40 -2.972100046e-01 -2.972100046e-01 4.42 -2.856893343e-01 -2.856893343e-01 4.44 -2.748048325e-01 -2.748048325e-01 4.46 -2.644983736e-01 -2.644983736e-01 4.48 -2.547188245e-01 -2.547188245e-01 4.50 -2.454207971e-01 -2.454207971e-01 4.52 -2.365638922e-01 -2.365638922e-01 4.54 -2.281120922e-01 -2.281120922e-01 4.56 -2.200332101e-01 -2.200332101e-01 4.58 -2.122983981e-01 -2.122983981e-01 4.60 -2.048817124e-01 -2.048817124e-01 4.62 -1.977597321e-01 -1.977597321e-01 4.64 -1.909112298e-01 -1.909112298e-01 4.66 -1.843168883e-01 -1.843168883e-01 4.68 -1.779590631e-01 -1.779590631e-01 4.70 -1.718215869e-01 -1.718215869e-01 4.72 -1.658896140e-01 -1.658896140e-01 4.74 -1.601495045e-01 -1.601495045e-01 4.76 -1.545887460e-01 -1.545887460e-01 4.78 -1.491959120e-01 -1.491959120e-01 4.80 -1.439606136e-01 -1.439606136e-01 4.82 -1.388736999e-01 -1.388736999e-01 4.84 -1.339270347e-01 -1.339270347e-01 4.86 -1.291137589e-01 -1.291137589e-01 4.88 -1.244283172e-01 -1.244283172e-01 4.90 -1.198665271e-01 -1.198665271e-01 4.92 -1.154256221e-01 -1.154256221e-01 4.94 -1.111042492e-01 -1.111042492e-01 4.96 -1.069024008e-01 -1.069024008e-01 4.98 -1.028212674e-01 -1.028212674e-01 5.00 -9.886300618e-02 -9.886300618e-02 5.02 -9.503042854e-02 -9.503042854e-02 5.04 -9.132662526e-02 -9.132662526e-02 5.06 -8.775455958e-02 -8.775455958e-02 5.08 -8.431660166e-02 -8.431660166e-02 5.10 -8.101406318e-02 -8.101406318e-02 5.12 -7.784747560e-02 -7.784747560e-02 5.14 -7.481604032e-02 -7.481604032e-02 5.16 -7.191752196e-02 -7.191752196e-02 5.18 -6.914830506e-02 -6.914830506e-02 5.20 -6.650353926e-02 -6.650353926e-02 5.22 -6.397734546e-02 -6.397734546e-02 5.24 -6.156305333e-02 -6.156305333e-02 5.26 -5.925344392e-02 -5.925344392e-02 5.28 -5.704097633e-02 -5.704097633e-02 5.30 -5.491798501e-02 -5.491798501e-02 5.32 -5.287684105e-02 -5.287684105e-02 5.34 -5.091007491e-02 -5.091007491e-02 5.36 -4.901046519e-02 -4.901046519e-02 5.38 -4.717109900e-02 -4.717109900e-02 5.40 -4.538540966e-02 -4.538540966e-02 5.42 -4.364719948e-02 -4.364719948e-02 5.44 -4.195065419e-02 -4.195065419e-02 5.46 -4.029035511e-02 -4.029035511e-02 5.48 -3.866129423e-02 -3.866129423e-02 5.50 -3.705889595e-02 -3.705889595e-02 5.52 -3.547904868e-02 -3.547904868e-02 5.54 -3.391814730e-02 -3.391814730e-02 5.56 -3.237314913e-02 -3.237314913e-02 5.58 -3.084163828e-02 -3.084163828e-02 5.60 -2.932189798e-02 -2.932189798e-02 5.62 -2.781298605e-02 -2.781298605e-02 5.64 -2.631480676e-02 -2.631480676e-02 5.66 -2.482817062e-02 -2.482817062e-02 5.68 -2.335483277e-02 -2.335483277e-02 5.70 -2.189749979e-02 -2.189749979e-02 5.72 -2.045979572e-02 -2.045979572e-02 5.74 -1.904617990e-02 -1.904617990e-02 5.76 -1.766181039e-02 -1.766181039e-02 5.78 -1.631221741e-02 -1.631221741e-02 5.80 -1.500333756e-02 -1.500333756e-02 5.82 -1.374123719e-02 -1.374123719e-02 5.84 -1.253173149e-02 -1.253173149e-02 5.86 -1.138011792e-02 -1.138011792e-02 5.88 -1.029093809e-02 -1.029093809e-02 5.90 -9.267786534e-03 -9.267786534e-03 5.92 -8.313179799e-03 -8.313179799e-03 5.94 -7.428492458e-03 -7.428492458e-03 5.96 -6.613959907e-03 -6.613959907e-03 5.98 -5.868741195e-03 -5.868741195e-03 6.00 -5.191030400e-03 -5.191030400e-03