# 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 = Fe2NiPt # 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 2.108680945e+02 2.108680945e+02 1.30 1.937799894e+02 1.937799894e+02 1.32 1.779956509e+02 1.779956509e+02 1.34 1.634219349e+02 1.634219349e+02 1.36 1.499742209e+02 1.499742209e+02 1.38 1.375688119e+02 1.375688119e+02 1.40 1.261201003e+02 1.261201003e+02 1.42 1.155429151e+02 1.155429151e+02 1.44 1.057573822e+02 1.057573822e+02 1.46 9.669322905e+01 9.669322905e+01 1.48 8.829136651e+01 8.829136651e+01 1.50 8.050219324e+01 8.050219324e+01 1.52 7.328197529e+01 7.328197529e+01 1.54 6.658945452e+01 6.658945452e+01 1.56 6.038403156e+01 6.038403156e+01 1.58 5.462550877e+01 5.462550877e+01 1.60 4.927473553e+01 4.927473553e+01 1.62 4.429469575e+01 4.429469575e+01 1.64 3.965187089e+01 3.965187089e+01 1.66 3.531751423e+01 3.531751423e+01 1.68 3.130988861e+01 3.130988861e+01 1.70 2.766030256e+01 2.766030256e+01 1.72 2.434650200e+01 2.434650200e+01 1.74 2.134753446e+01 2.134753446e+01 1.76 1.864164480e+01 1.864164480e+01 1.78 1.620524129e+01 1.620524129e+01 1.80 1.401345388e+01 1.401345388e+01 1.82 1.204159144e+01 1.204159144e+01 1.84 1.026650649e+01 1.026650649e+01 1.86 8.667303740e+00 8.667303740e+00 1.88 7.225415360e+00 7.225415360e+00 1.90 5.924358617e+00 5.924358617e+00 1.92 4.749459832e+00 4.749459832e+00 1.94 3.687665006e+00 3.687665006e+00 1.96 2.727427852e+00 2.727427852e+00 1.98 1.858617687e+00 1.858617687e+00 2.00 1.072399259e+00 1.072399259e+00 2.02 3.610747696e-01 3.610747696e-01 2.04 -2.820866586e-01 -2.820866586e-01 2.06 -8.630024715e-01 -8.630024715e-01 2.08 -1.386904350e+00 -1.386904350e+00 2.10 -1.858448331e+00 -1.858448331e+00 2.12 -2.281814090e+00 -2.281814090e+00 2.14 -2.660790158e+00 -2.660790158e+00 2.16 -2.998838982e+00 -2.998838982e+00 2.18 -3.299142510e+00 -3.299142510e+00 2.20 -3.564635972e+00 -3.564635972e+00 2.22 -3.798037499e+00 -3.798037499e+00 2.24 -4.001875875e+00 -4.001875875e+00 2.26 -4.178514430e+00 -4.178514430e+00 2.28 -4.330169012e+00 -4.330169012e+00 2.30 -4.458920329e+00 -4.458920329e+00 2.32 -4.567631845e+00 -4.567631845e+00 2.34 -4.659031208e+00 -4.659031208e+00 2.36 -4.734258836e+00 -4.734258836e+00 2.38 -4.794432022e+00 -4.794432022e+00 2.40 -4.840634604e+00 -4.840634604e+00 2.42 -4.873907211e+00 -4.873907211e+00 2.44 -4.895251301e+00 -4.895251301e+00 2.46 -4.905643893e+00 -4.905643893e+00 2.48 -4.906053744e+00 -4.906053744e+00 2.50 -4.897456586e+00 -4.897456586e+00 2.52 -4.880840432e+00 -4.880840432e+00 2.54 -4.857190978e+00 -4.857190978e+00 2.56 -4.827459586e+00 -4.827459586e+00 2.58 -4.792521245e+00 -4.792521245e+00 2.60 -4.753135643e+00 -4.753135643e+00 2.62 -4.709837216e+00 -4.709837216e+00 2.64 -4.662932966e+00 -4.662932966e+00 2.66 -4.612648569e+00 -4.612648569e+00 2.68 -4.559156880e+00 -4.559156880e+00 2.70 -4.502602274e+00 -4.502602274e+00 2.72 -4.443121246e+00 -4.443121246e+00 2.74 -4.380855347e+00 -4.380855347e+00 2.76 -4.315910482e+00 -4.315910482e+00 2.78 -4.248179333e+00 -4.248179333e+00 2.80 -4.177541495e+00 -4.177541495e+00 2.82 -4.103940544e+00 -4.103940544e+00 2.84 -4.027377831e+00 -4.027377831e+00 2.86 -3.947912341e+00 -3.947912341e+00 2.88 -3.865664805e+00 -3.865664805e+00 2.90 -3.780822953e+00 -3.780822953e+00 2.92 -3.693644334e+00 -3.693644334e+00 2.94 -3.604453195e+00 -3.604453195e+00 2.96 -3.513628722e+00 -3.513628722e+00 2.98 -3.421589298e+00 -3.421589298e+00 3.00 -3.328913473e+00 -3.328913473e+00 3.02 -3.236286128e+00 -3.236286128e+00 3.04 -3.144269943e+00 -3.144269943e+00 3.06 -3.053283213e+00 -3.053283213e+00 3.08 -2.963607744e+00 -2.963607744e+00 3.10 -2.875412691e+00 -2.875412691e+00 3.12 -2.788787502e+00 -2.788787502e+00 3.14 -2.703776444e+00 -2.703776444e+00 3.16 -2.620408724e+00 -2.620408724e+00 3.18 -2.538720761e+00 -2.538720761e+00 3.20 -2.458769450e+00 -2.458769450e+00 3.22 -2.380636943e+00 -2.380636943e+00 3.24 -2.304428407e+00 -2.304428407e+00 3.26 -2.230264647e+00 -2.230264647e+00 3.28 -2.158271605e+00 -2.158271605e+00 3.30 -2.088568713e+00 -2.088568713e+00 3.32 -2.021257852e+00 -2.021257852e+00 3.34 -1.956414335e+00 -1.956414335e+00 3.36 -1.894080853e+00 -1.894080853e+00 3.38 -1.834264778e+00 -1.834264778e+00 3.40 -1.776938694e+00 -1.776938694e+00 3.42 -1.722043614e+00 -1.722043614e+00 3.44 -1.669494091e+00 -1.669494091e+00 3.46 -1.619184355e+00 -1.619184355e+00 3.48 -1.570994685e+00 -1.570994685e+00 3.50 -1.524797404e+00 -1.524797404e+00 3.52 -1.480462077e+00 -1.480462077e+00 3.54 -1.437859705e+00 -1.437859705e+00 3.56 -1.396865869e+00 -1.396865869e+00 3.58 -1.357362897e+00 -1.357362897e+00 3.60 -1.319241172e+00 -1.319241172e+00 3.62 -1.282399780e+00 -1.282399780e+00 3.64 -1.246746629e+00 -1.246746629e+00 3.66 -1.212198227e+00 -1.212198227e+00 3.68 -1.178679219e+00 -1.178679219e+00 3.70 -1.146121790e+00 -1.146121790e+00 3.72 -1.114465015e+00 -1.114465015e+00 3.74 -1.083654170e+00 -1.083654170e+00 3.76 -1.053640054e+00 -1.053640054e+00 3.78 -1.024378293e+00 -1.024378293e+00 3.80 -9.958286416e-01 -9.958286416e-01 3.82 -9.679542561e-01 -9.679542561e-01 3.84 -9.407209371e-01 -9.407209371e-01 3.86 -9.140963669e-01 -9.140963669e-01 3.88 -8.880493718e-01 -8.880493718e-01 3.90 -8.625492783e-01 -8.625492783e-01 3.92 -8.375654365e-01 -8.375654365e-01 3.94 -8.130669970e-01 -8.130669970e-01 3.96 -7.890229832e-01 -7.890229832e-01 3.98 -7.654027161e-01 -7.654027161e-01 4.00 -7.421765591e-01 -7.421765591e-01 4.02 -7.193169818e-01 -7.193169818e-01 4.04 -6.967997978e-01 -6.967997978e-01 4.06 -6.746055204e-01 -6.746055204e-01 4.08 -6.527215270e-01 -6.527215270e-01 4.10 -6.311412175e-01 -6.311412175e-01 4.12 -6.098654155e-01 -6.098654155e-01 4.14 -5.889034909e-01 -5.889034909e-01 4.16 -5.682726826e-01 -5.682726826e-01 4.18 -5.479967534e-01 -5.479967534e-01 4.20 -5.281040118e-01 -5.281040118e-01 4.22 -5.086248279e-01 -5.086248279e-01 4.24 -4.895888986e-01 -4.895888986e-01 4.26 -4.710225926e-01 -4.710225926e-01 4.28 -4.529467205e-01 -4.529467205e-01 4.30 -4.353750166e-01 -4.353750166e-01 4.32 -4.183134964e-01 -4.183134964e-01 4.34 -4.017607044e-01 -4.017607044e-01 4.36 -3.857087162e-01 -3.857087162e-01 4.38 -3.701446466e-01 -3.701446466e-01 4.40 -3.550523578e-01 -3.550523578e-01 4.42 -3.404140644e-01 -3.404140644e-01 4.44 -3.262115857e-01 -3.262115857e-01 4.46 -3.124270909e-01 -3.124270909e-01 4.48 -2.990432919e-01 -2.990432919e-01 4.50 -2.860431544e-01 -2.860431544e-01 4.52 -2.734092321e-01 -2.734092321e-01 4.54 -2.611227880e-01 -2.611227880e-01 4.56 -2.491637827e-01 -2.491637827e-01 4.58 -2.375100590e-01 -2.375100590e-01 4.60 -2.261374125e-01 -2.261374125e-01 4.62 -2.150202315e-01 -2.150202315e-01 4.64 -2.041325798e-01 -2.041325798e-01 4.66 -1.934496376e-01 -1.934496376e-01 4.68 -1.829493666e-01 -1.829493666e-01 4.70 -1.726142358e-01 -1.726142358e-01 4.72 -1.624328383e-01 -1.624328383e-01 4.74 -1.524012303e-01 -1.524012303e-01 4.76 -1.425238467e-01 -1.425238467e-01 4.78 -1.328138711e-01 -1.328138711e-01 4.80 -1.232929828e-01 -1.232929828e-01 4.82 -1.139904528e-01 -1.139904528e-01 4.84 -1.049416193e-01 -1.049416193e-01 4.86 -9.618585063e-02 -9.618585063e-02 4.88 -8.776415136e-02 -8.776415136e-02 4.90 -7.971662348e-02 -7.971662348e-02 4.92 -7.208001056e-02 -7.208001056e-02 4.94 -6.488554436e-02 -6.488554436e-02 4.96 -5.815727154e-02 -5.815727154e-02 4.98 -5.191097435e-02 -5.191097435e-02 5.00 -4.615372435e-02 -4.615372435e-02 5.02 -4.088403501e-02 -4.088403501e-02 5.04 -3.609252128e-02 -3.609252128e-02 5.06 -3.176293694e-02 -3.176293694e-02 5.08 -2.787344640e-02 -2.787344640e-02 5.10 -2.439798697e-02 -2.439798697e-02 5.12 -2.130762304e-02 -2.130762304e-02 5.14 -1.857178905e-02 -1.857178905e-02 5.16 -1.615930064e-02 -1.615930064e-02 5.18 -1.403867579e-02 -1.403867579e-02 5.20 -1.218053373e-02 -1.218053373e-02 5.22 -1.055707893e-02 -1.055707893e-02 5.24 -9.142157939e-03 -9.142157939e-03 5.26 -7.911550733e-03 -7.911550733e-03 5.28 -6.843115499e-03 -6.843115499e-03 5.30 -5.916823570e-03 -5.916823570e-03 5.32 -5.114715729e-03 -5.114715729e-03 5.34 -4.420805224e-03 -4.420805224e-03 5.36 -3.820947337e-03 -3.820947337e-03 5.38 -3.302690557e-03 -3.302690557e-03 5.40 -2.855120374e-03 -2.855120374e-03 5.42 -2.468703495e-03 -2.468703495e-03 5.44 -2.135137705e-03 -2.135137705e-03 5.46 -1.847210697e-03 -1.847210697e-03 5.48 -1.598669768e-03 -1.598669768e-03 5.50 -1.384103222e-03 -1.384103222e-03 5.52 -1.198833647e-03 -1.198833647e-03 5.54 -1.038822716e-03 -1.038822716e-03 5.56 -9.005868923e-04 -9.005868923e-04 5.58 -7.811232201e-04 -7.811232201e-04 5.60 -6.778443098e-04 -6.778443098e-04 5.62 -5.885216089e-04 -5.885216089e-04 5.64 -5.112360598e-04 -5.112360598e-04 5.66 -4.443353012e-04 -4.443353012e-04 5.68 -3.863966251e-04 -3.863966251e-04 5.70 -3.361949756e-04 -3.361949756e-04 5.72 -2.926753425e-04 -2.926753425e-04 5.74 -2.549289752e-04 -2.549289752e-04 5.76 -2.221729067e-04 -2.221729067e-04 5.78 -1.937323409e-04 -1.937323409e-04 5.80 -1.690255105e-04 -1.690255105e-04 5.82 -1.475506640e-04 -1.475506640e-04 5.84 -1.288748863e-04 -1.288748863e-04 5.86 -1.126244950e-04 -1.126244950e-04 5.88 -9.847679108e-05 -9.847679108e-05 5.90 -8.615297301e-05 -8.615297301e-05 5.92 -7.541204919e-05 -7.541204919e-05 5.94 -6.604560729e-05 -6.604560729e-05 5.96 -5.787331889e-05 -5.787331889e-05 5.98 -5.073907502e-05 -5.073907502e-05 6.00 -4.450766305e-05 -4.450766305e-05