# 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 = Fe2PtTa # 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 3.052730363e+02 3.052730363e+02 1.30 2.821173332e+02 2.821173332e+02 1.32 2.606522253e+02 2.606522253e+02 1.34 2.407465641e+02 2.407465641e+02 1.36 2.222845147e+02 2.222845147e+02 1.38 2.051568558e+02 2.051568558e+02 1.40 1.892575872e+02 1.892575872e+02 1.42 1.744865482e+02 1.744865482e+02 1.44 1.607544020e+02 1.607544020e+02 1.46 1.479862415e+02 1.479862415e+02 1.48 1.361213451e+02 1.361213451e+02 1.50 1.251084642e+02 1.251084642e+02 1.52 1.148987848e+02 1.148987848e+02 1.54 1.054403751e+02 1.054403751e+02 1.56 9.667667423e+01 9.667667423e+01 1.58 8.854856945e+01 8.854856945e+01 1.60 8.099780956e+01 8.099780956e+01 1.62 7.396998066e+01 7.396998066e+01 1.64 6.741659406e+01 6.741659406e+01 1.66 6.129645465e+01 6.129645465e+01 1.68 5.557629202e+01 5.557629202e+01 1.70 5.023036862e+01 5.023036862e+01 1.72 4.523886113e+01 4.523886113e+01 1.74 4.058544887e+01 4.058544887e+01 1.76 3.625844064e+01 3.625844064e+01 1.78 3.224155733e+01 3.224155733e+01 1.80 2.855687635e+01 2.855687635e+01 1.82 2.520883957e+01 2.520883957e+01 1.84 2.216640106e+01 2.216640106e+01 1.86 1.940171587e+01 1.940171587e+01 1.88 1.689011572e+01 1.689011572e+01 1.90 1.460957398e+01 1.460957398e+01 1.92 1.254000076e+01 1.254000076e+01 1.94 1.066265209e+01 1.066265209e+01 1.96 8.959806296e+00 8.959806296e+00 1.98 7.414719856e+00 7.414719856e+00 2.00 6.011773962e+00 6.011773962e+00 2.02 4.736693420e+00 4.736693420e+00 2.04 3.576739602e+00 3.576739602e+00 2.06 2.520809700e+00 2.520809700e+00 2.08 1.559403990e+00 1.559403990e+00 2.10 6.844604530e-01 6.844604530e-01 2.12 -1.109019439e-01 -1.109019439e-01 2.14 -8.326642880e-01 -8.326642880e-01 2.16 -1.486151173e+00 -1.486151173e+00 2.18 -2.076205178e+00 -2.076205178e+00 2.20 -2.607295292e+00 -2.607295292e+00 2.22 -3.083581465e+00 -3.083581465e+00 2.24 -3.508958387e+00 -3.508958387e+00 2.26 -3.887092746e+00 -3.887092746e+00 2.28 -4.221458789e+00 -4.221458789e+00 2.30 -4.515370827e+00 -4.515370827e+00 2.32 -4.772008672e+00 -4.772008672e+00 2.34 -4.994431891e+00 -4.994431891e+00 2.36 -5.185581108e+00 -5.185581108e+00 2.38 -5.348209553e+00 -5.348209553e+00 2.40 -5.484899277e+00 -5.484899277e+00 2.42 -5.598376162e+00 -5.598376162e+00 2.44 -5.691156348e+00 -5.691156348e+00 2.46 -5.765522430e+00 -5.765522430e+00 2.48 -5.823540246e+00 -5.823540246e+00 2.50 -5.867915823e+00 -5.867915823e+00 2.52 -5.900766637e+00 -5.900766637e+00 2.54 -5.922870249e+00 -5.922870249e+00 2.56 -5.935075877e+00 -5.935075877e+00 2.58 -5.938234160e+00 -5.938234160e+00 2.60 -5.933134293e+00 -5.933134293e+00 2.62 -5.920464106e+00 -5.920464106e+00 2.64 -5.900795758e+00 -5.900795758e+00 2.66 -5.874592079e+00 -5.874592079e+00 2.68 -5.842224426e+00 -5.842224426e+00 2.70 -5.803993243e+00 -5.803993243e+00 2.72 -5.760145821e+00 -5.760145821e+00 2.74 -5.710889437e+00 -5.710889437e+00 2.76 -5.656400528e+00 -5.656400528e+00 2.78 -5.596831619e+00 -5.596831619e+00 2.80 -5.532317830e+00 -5.532317830e+00 2.82 -5.462984279e+00 -5.462984279e+00 2.84 -5.388957799e+00 -5.388957799e+00 2.86 -5.310377728e+00 -5.310377728e+00 2.88 -5.227394832e+00 -5.227394832e+00 2.90 -5.140198476e+00 -5.140198476e+00 2.92 -5.049028088e+00 -5.049028088e+00 2.94 -4.954178479e+00 -4.954178479e+00 2.96 -4.855997087e+00 -4.855997087e+00 2.98 -4.754871374e+00 -4.754871374e+00 3.00 -4.651207118e+00 -4.651207118e+00 3.02 -4.545374404e+00 -4.545374404e+00 3.04 -4.437575935e+00 -4.437575935e+00 3.06 -4.327955926e+00 -4.327955926e+00 3.08 -4.216639100e+00 -4.216639100e+00 3.10 -4.103727281e+00 -4.103727281e+00 3.12 -3.989308547e+00 -3.989308547e+00 3.14 -3.873489035e+00 -3.873489035e+00 3.16 -3.756677712e+00 -3.756677712e+00 3.18 -3.639544828e+00 -3.639544828e+00 3.20 -3.522762683e+00 -3.522762683e+00 3.22 -3.407005764e+00 -3.407005764e+00 3.24 -3.292946878e+00 -3.292946878e+00 3.26 -3.181240008e+00 -3.181240008e+00 3.28 -3.072493665e+00 -3.072493665e+00 3.30 -2.967239905e+00 -2.967239905e+00 3.32 -2.865904795e+00 -2.865904795e+00 3.34 -2.768785689e+00 -2.768785689e+00 3.36 -2.676039165e+00 -2.676039165e+00 3.38 -2.587681290e+00 -2.587681290e+00 3.40 -2.503599490e+00 -2.503599490e+00 3.42 -2.423573381e+00 -2.423573381e+00 3.44 -2.347300809e+00 -2.347300809e+00 3.46 -2.274425284e+00 -2.274425284e+00 3.48 -2.204561605e+00 -2.204561605e+00 3.50 -2.137317636e+00 -2.137317636e+00 3.52 -2.072311304e+00 -2.072311304e+00 3.54 -2.009182881e+00 -2.009182881e+00 3.56 -1.947603207e+00 -1.947603207e+00 3.58 -1.887278830e+00 -1.887278830e+00 3.60 -1.827955027e+00 -1.827955027e+00 3.62 -1.769417554e+00 -1.769417554e+00 3.64 -1.711493712e+00 -1.711493712e+00 3.66 -1.654053090e+00 -1.654053090e+00 3.68 -1.597008068e+00 -1.597008068e+00 3.70 -1.540313982e+00 -1.540313982e+00 3.72 -1.483968698e+00 -1.483968698e+00 3.74 -1.428011235e+00 -1.428011235e+00 3.76 -1.372519110e+00 -1.372519110e+00 3.78 -1.317604097e+00 -1.317604097e+00 3.80 -1.263406288e+00 -1.263406288e+00 3.82 -1.210086529e+00 -1.210086529e+00 3.84 -1.157817505e+00 -1.157817505e+00 3.86 -1.106774294e+00 -1.106774294e+00 3.88 -1.057124860e+00 -1.057124860e+00 3.90 -1.009019085e+00 -1.009019085e+00 3.92 -9.625829771e-01 -9.625829771e-01 3.94 -9.179131245e-01 -9.179131245e-01 3.96 -8.750734372e-01 -8.750734372e-01 3.98 -8.340945267e-01 -8.340945267e-01 4.00 -7.949755102e-01 -7.949755102e-01 4.02 -7.576878652e-01 -7.576878652e-01 4.04 -7.221808050e-01 -7.221808050e-01 4.06 -6.883875667e-01 -6.883875667e-01 4.08 -6.562319889e-01 -6.562319889e-01 4.10 -6.256347774e-01 -6.256347774e-01 4.12 -5.965189552e-01 -5.965189552e-01 4.14 -5.688140090e-01 -5.688140090e-01 4.16 -5.424585198e-01 -5.424585198e-01 4.18 -5.174010840e-01 -5.174010840e-01 4.20 -4.935996134e-01 -4.935996134e-01 4.22 -4.710192637e-01 -4.710192637e-01 4.24 -4.496294136e-01 -4.496294136e-01 4.26 -4.294002251e-01 -4.294002251e-01 4.28 -4.102993306e-01 -4.102993306e-01 4.30 -3.922891175e-01 -3.922891175e-01 4.32 -3.753249289e-01 -3.753249289e-01 4.34 -3.593543078e-01 -3.593543078e-01 4.36 -3.443172294e-01 -3.443172294e-01 4.38 -3.301471315e-01 -3.301471315e-01 4.40 -3.167724742e-01 -3.167724742e-01 4.42 -3.041185453e-01 -3.041185453e-01 4.44 -2.921092993e-01 -2.921092993e-01 4.46 -2.806690385e-01 -2.806690385e-01 4.48 -2.697238284e-01 -2.697238284e-01 4.50 -2.592026239e-01 -2.592026239e-01 4.52 -2.490380923e-01 -2.490380923e-01 4.54 -2.391671149e-01 -2.391671149e-01 4.56 -2.295319549e-01 -2.295319549e-01 4.58 -2.200801632e-01 -2.200801632e-01 4.60 -2.107649454e-01 -2.107649454e-01 4.62 -2.015456453e-01 -2.015456453e-01 4.64 -1.923882658e-01 -1.923882658e-01 4.66 -1.832660370e-01 -1.832660370e-01 4.68 -1.741600204e-01 -1.741600204e-01 4.70 -1.650597006e-01 -1.650597006e-01 4.72 -1.559634972e-01 -1.559634972e-01 4.74 -1.468791033e-01 -1.468791033e-01 4.76 -1.378235481e-01 -1.378235481e-01 4.78 -1.288228839e-01 -1.288228839e-01 4.80 -1.199114140e-01 -1.199114140e-01 4.82 -1.111304245e-01 -1.111304245e-01 4.84 -1.025264223e-01 -1.025264223e-01 4.86 -9.414896596e-02 -9.414896596e-02 4.88 -8.604821858e-02 -8.604821858e-02 4.90 -7.827241312e-02 -7.827241312e-02 4.92 -7.086543983e-02 -7.086543983e-02 4.94 -6.386476037e-02 -6.386476037e-02 4.96 -5.729981522e-02 -5.729981522e-02 4.98 -5.119103047e-02 -5.119103047e-02 5.00 -4.554945714e-02 -4.554945714e-02 5.02 -4.037700572e-02 -4.037700572e-02 5.04 -3.566718164e-02 -3.566718164e-02 5.06 -3.140619175e-02 -3.140619175e-02 5.08 -2.757427695e-02 -2.757427695e-02 5.10 -2.414712954e-02 -2.414712954e-02 5.12 -2.109729488e-02 -2.109729488e-02 5.14 -1.839545520e-02 -1.839545520e-02 5.16 -1.601144427e-02 -1.601144427e-02 5.18 -1.391468169e-02 -1.391468169e-02 5.20 -1.207658235e-02 -1.207658235e-02 5.22 -1.046995132e-02 -1.046995132e-02 5.24 -9.069145763e-03 -9.069145763e-03 5.26 -7.850378057e-03 -7.850378057e-03 5.28 -6.791871399e-03 -6.791871399e-03 5.30 -5.873904552e-03 -5.873904552e-03 5.32 -5.078776796e-03 -5.078776796e-03 5.34 -4.390718465e-03 -4.390718465e-03 5.36 -3.795767000e-03 -3.795767000e-03 5.38 -3.281623651e-03 -3.281623651e-03 5.40 -2.837501980e-03 -2.837501980e-03 5.42 -2.453976042e-03 -2.453976042e-03 5.44 -2.122833595e-03 -2.122833595e-03 5.46 -1.836937751e-03 -1.836937751e-03 5.48 -1.590099027e-03 -1.590099027e-03 5.50 -1.376958730e-03 -1.376958730e-03 5.52 -1.192883895e-03 -1.192883895e-03 5.54 -1.033873471e-03 -1.033873471e-03 5.56 -8.964751930e-04 -8.964751930e-04 5.58 -7.777123407e-04 -7.777123407e-04 5.60 -6.750195418e-04 -6.750195418e-04 5.62 -5.861867229e-04 -5.861867229e-04 5.64 -5.093103389e-04 -5.093103389e-04 5.66 -4.427510517e-04 -4.427510517e-04 5.68 -3.850970881e-04 -3.850970881e-04 5.70 -3.351325741e-04 -3.351325741e-04 5.72 -2.918102100e-04 -2.918102100e-04 5.74 -2.542277199e-04 -2.542277199e-04 5.76 -2.216075738e-04 -2.216075738e-04 5.78 -1.932795407e-04 -1.932795407e-04 5.80 -1.686656859e-04 -1.686656859e-04 5.82 -1.472674751e-04 -1.472674751e-04 5.84 -1.286546935e-04 -1.286546935e-04 5.86 -1.124559239e-04 -1.124559239e-04 5.88 -9.835036733e-05 -9.835036733e-05 5.90 -8.606081539e-05 -8.606081539e-05 5.92 -7.534761139e-05 -7.534761139e-05 5.94 -6.600346108e-05 -6.600346108e-05 5.96 -5.784897191e-05 -5.784897191e-05 5.98 -5.072881766e-05 -5.072881766e-05 6.00 -4.450843984e-05 -4.450843984e-05