# 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 = FeMoW2 # 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 3.578543861e+02 3.578543861e+02 1.30 3.291262840e+02 3.291262840e+02 1.32 3.027181846e+02 3.027181846e+02 1.34 2.784148132e+02 2.784148132e+02 1.36 2.560160334e+02 2.560160334e+02 1.38 2.353401369e+02 2.353401369e+02 1.40 2.162275707e+02 2.162275707e+02 1.42 1.985424959e+02 1.985424959e+02 1.44 1.821710034e+02 1.821710034e+02 1.46 1.670167820e+02 1.670167820e+02 1.48 1.529961007e+02 1.529961007e+02 1.50 1.400337089e+02 1.400337089e+02 1.52 1.280602881e+02 1.280602881e+02 1.54 1.170112112e+02 1.170112112e+02 1.56 1.068259780e+02 1.068259780e+02 1.58 9.744776195e+01 9.744776195e+01 1.60 8.882280113e+01 8.882280113e+01 1.62 8.089965026e+01 8.089965026e+01 1.64 7.362846888e+01 7.362846888e+01 1.66 6.696052908e+01 6.696052908e+01 1.68 6.084804320e+01 6.084804320e+01 1.70 5.524430790e+01 5.524430790e+01 1.72 5.010409331e+01 5.010409331e+01 1.74 4.538418195e+01 4.538418195e+01 1.76 4.104396369e+01 4.104396369e+01 1.78 3.704601117e+01 3.704601117e+01 1.80 3.335658957e+01 3.335658957e+01 1.82 2.994606413e+01 2.994606413e+01 1.84 2.678914081e+01 2.678914081e+01 1.86 2.386579247e+01 2.386579247e+01 1.88 2.115950705e+01 2.115950705e+01 1.90 1.865734469e+01 1.865734469e+01 1.92 1.634903061e+01 1.634903061e+01 1.94 1.422351982e+01 1.422351982e+01 1.96 1.227043043e+01 1.227043043e+01 1.98 1.047952955e+01 1.047952955e+01 2.00 8.840505806e+00 8.840505806e+00 2.02 7.342911719e+00 7.342911719e+00 2.04 5.976204827e+00 5.976204827e+00 2.06 4.729838378e+00 4.729838378e+00 2.08 3.593381000e+00 3.593381000e+00 2.10 2.556665242e+00 2.556665242e+00 2.12 1.609967778e+00 1.609967778e+00 2.14 7.442103930e-01 7.442103930e-01 2.16 -4.884877281e-02 -4.884877281e-02 2.18 -7.764748035e-01 -7.764748035e-01 2.20 -1.444899819e+00 -1.444899819e+00 2.22 -2.059361397e+00 -2.059361397e+00 2.24 -2.624219677e+00 -2.624219677e+00 2.26 -3.143120002e+00 -3.143120002e+00 2.28 -3.619164948e+00 -3.619164948e+00 2.30 -4.055067841e+00 -4.055067841e+00 2.32 -4.453272800e+00 -4.453272800e+00 2.34 -4.816038090e+00 -4.816038090e+00 2.36 -5.145487293e+00 -5.145487293e+00 2.38 -5.443636251e+00 -5.443636251e+00 2.40 -5.712404130e+00 -5.712404130e+00 2.42 -5.953615588e+00 -5.953615588e+00 2.44 -6.168999059e+00 -6.168999059e+00 2.46 -6.360177940e+00 -6.360177940e+00 2.48 -6.528522508e+00 -6.528522508e+00 2.50 -6.675532856e+00 -6.675532856e+00 2.52 -6.802701408e+00 -6.802701408e+00 2.54 -6.911392981e+00 -6.911392981e+00 2.56 -7.002851237e+00 -7.002851237e+00 2.58 -7.078205630e+00 -7.078205630e+00 2.60 -7.138479709e+00 -7.138479709e+00 2.62 -7.184593109e+00 -7.184593109e+00 2.64 -7.217063295e+00 -7.217063295e+00 2.66 -7.235987148e+00 -7.235987148e+00 2.68 -7.241499579e+00 -7.241499579e+00 2.70 -7.233688461e+00 -7.233688461e+00 2.72 -7.212816491e+00 -7.212816491e+00 2.74 -7.179319956e+00 -7.179319956e+00 2.76 -7.133658342e+00 -7.133658342e+00 2.78 -7.076311510e+00 -7.076311510e+00 2.80 -7.007778196e+00 -7.007778196e+00 2.82 -6.928576852e+00 -6.928576852e+00 2.84 -6.839248341e+00 -6.839248341e+00 2.86 -6.740254418e+00 -6.740254418e+00 2.88 -6.631941725e+00 -6.631941725e+00 2.90 -6.514752419e+00 -6.514752419e+00 2.92 -6.389246449e+00 -6.389246449e+00 2.94 -6.256097024e+00 -6.256097024e+00 2.96 -6.116081738e+00 -6.116081738e+00 2.98 -5.970051636e+00 -5.970051636e+00 3.00 -5.818898164e+00 -5.818898164e+00 3.02 -5.663523532e+00 -5.663523532e+00 3.04 -5.504797159e+00 -5.504797159e+00 3.06 -5.343513901e+00 -5.343513901e+00 3.08 -5.180343744e+00 -5.180343744e+00 3.10 -5.015627529e+00 -5.015627529e+00 3.12 -4.849480059e+00 -4.849480059e+00 3.14 -4.681949767e+00 -4.681949767e+00 3.16 -4.513024812e+00 -4.513024812e+00 3.18 -4.342646485e+00 -4.342646485e+00 3.20 -4.170730425e+00 -4.170730425e+00 3.22 -3.997192326e+00 -3.997192326e+00 3.24 -3.821975214e+00 -3.821975214e+00 3.26 -3.645076062e+00 -3.645076062e+00 3.28 -3.466570256e+00 -3.466570256e+00 3.30 -3.286632980e+00 -3.286632980e+00 3.32 -3.105556881e+00 -3.105556881e+00 3.34 -2.923765296e+00 -2.923765296e+00 3.36 -2.741820085e+00 -2.741820085e+00 3.38 -2.560422716e+00 -2.560422716e+00 3.40 -2.380407098e+00 -2.380407098e+00 3.42 -2.202722790e+00 -2.202722790e+00 3.44 -2.028407894e+00 -2.028407894e+00 3.46 -1.858552096e+00 -1.858552096e+00 3.48 -1.694251764e+00 -1.694251764e+00 3.50 -1.536560480e+00 -1.536560480e+00 3.52 -1.386439439e+00 -1.386439439e+00 3.54 -1.244712537e+00 -1.244712537e+00 3.56 -1.112030543e+00 -1.112030543e+00 3.58 -9.888475700e-01 -9.888475700e-01 3.60 -8.754113753e-01 -8.754113753e-01 3.62 -7.717672703e-01 -7.717672703e-01 3.64 -6.777738270e-01 -6.777738270e-01 3.66 -5.931275195e-01 -5.931275195e-01 3.68 -5.173929425e-01 -5.173929425e-01 3.70 -4.500353084e-01 -4.500353084e-01 3.72 -3.904523949e-01 -3.904523949e-01 3.74 -3.380038136e-01 -3.380038136e-01 3.76 -2.920362355e-01 -2.920362355e-01 3.78 -2.519039117e-01 -2.519039117e-01 3.80 -2.169843968e-01 -2.169843968e-01 3.82 -1.866897814e-01 -1.866897814e-01 3.84 -1.604739912e-01 -1.604739912e-01 3.86 -1.378368203e-01 -1.378368203e-01 3.88 -1.183253886e-01 -1.183253886e-01 3.90 -1.015336669e-01 -1.015336669e-01 3.92 -8.710062627e-02 -8.710062627e-02 3.94 -7.470748779e-02 -7.470748779e-02 3.96 -6.407443321e-02 -6.407443321e-02 3.98 -5.495685163e-02 -5.495685163e-02 4.00 -4.714193481e-02 -4.714193481e-02 4.02 -4.044584521e-02 -4.044584521e-02 4.04 -3.470956301e-02 -3.470956301e-02 4.06 -2.979591353e-02 -2.979591353e-02 4.08 -2.558684139e-02 -2.558684139e-02 4.10 -2.198067174e-02 -2.198067174e-02 4.12 -1.888997584e-02 -1.888997584e-02 4.14 -1.624077370e-02 -1.624077370e-02 4.16 -1.396955747e-02 -1.396955747e-02 4.18 -1.202185270e-02 -1.202185270e-02 4.20 -1.035100231e-02 -1.035100231e-02 4.22 -8.917085106e-03 -8.917085106e-03 4.24 -7.685965896e-03 -7.685965896e-03 4.26 -6.628468398e-03 -6.628468398e-03 4.28 -5.719659572e-03 -5.719659572e-03 4.30 -4.938233166e-03 -4.938233166e-03 4.32 -4.265980484e-03 -4.265980484e-03 4.34 -3.687337109e-03 -3.687337109e-03 4.36 -3.188995361e-03 -3.188995361e-03 4.38 -2.759573370e-03 -2.759573370e-03 4.40 -2.389332727e-03 -2.389332727e-03 4.42 -2.069937728e-03 -2.069937728e-03 4.44 -1.794250143e-03 -1.794250143e-03 4.46 -1.556154322e-03 -1.556154322e-03 4.48 -1.350408118e-03 -1.350408118e-03 4.50 -1.172515850e-03 -1.172515850e-03 4.52 -1.018619996e-03 -1.018619996e-03 4.54 -8.854088494e-04 -8.854088494e-04 4.56 -7.700377557e-04 -7.700377557e-04 4.58 -6.700619096e-04 -6.700619096e-04 4.60 -5.833789967e-04 -5.833789967e-04 4.62 -5.081802125e-04 -5.081802125e-04 4.64 -4.429084205e-04 -4.429084205e-04 4.66 -3.862223892e-04 -3.862223892e-04 4.68 -3.369662120e-04 -3.369662120e-04 4.70 -2.941431450e-04 -2.941431450e-04 4.72 -2.568932130e-04 -2.568932130e-04 4.74 -2.244740312e-04 -2.244740312e-04 4.76 -1.962443721e-04 -1.962443721e-04 4.78 -1.716500767e-04 -1.716500767e-04 4.80 -1.502119523e-04 -1.502119523e-04 4.82 -1.315154723e-04 -1.315154723e-04 4.84 -1.152017580e-04 -1.152017580e-04 4.86 -1.009600033e-04 -1.009600033e-04 4.88 -8.852087608e-05 -8.852087608e-05 4.90 -7.765085994e-05 -7.765085994e-05 4.92 -6.814738431e-05 -6.814738431e-05 4.94 -5.983463149e-05 -5.983463149e-05 4.96 -5.255992404e-05 -5.255992404e-05 4.98 -4.619061071e-05 -4.619061071e-05 5.00 -4.061138060e-05 -4.061138060e-05 5.02 -3.572194548e-05 -3.572194548e-05 5.04 -3.143503860e-05 -3.143503860e-05 5.06 -2.767468601e-05 -2.767468601e-05 5.08 -2.437471240e-05 -2.437471240e-05 5.10 -2.147744894e-05 -2.147744894e-05 5.12 -1.893261533e-05 -1.893261533e-05 5.14 -1.669635194e-05 -1.669635194e-05 5.16 -1.473038157e-05 -1.473038157e-05 5.18 -1.300128300e-05 -1.300128300e-05 5.20 -1.147986121e-05 -1.147986121e-05 5.22 -1.014060103e-05 -1.014060103e-05 5.24 -8.961192941e-06 -8.961192941e-06 5.26 -7.922121399e-06 -7.922121399e-06 5.28 -7.006307118e-06 -7.006307118e-06 5.30 -6.198796188e-06 -6.198796188e-06 5.32 -5.486489720e-06 -5.486489720e-06 5.34 -4.857908636e-06 -4.857908636e-06 5.36 -4.302988926e-06 -4.302988926e-06 5.38 -3.812903359e-06 -3.812903359e-06 5.40 -3.379906136e-06 -3.379906136e-06 5.42 -2.997197483e-06 -2.997197483e-06 5.44 -2.658805571e-06 -2.658805571e-06 5.46 -2.359483488e-06 -2.359483488e-06 5.48 -2.094619311e-06 -2.094619311e-06 5.50 -1.860157577e-06 -1.860157577e-06 5.52 -1.652530674e-06 -1.652530674e-06 5.54 -1.468598875e-06 -1.468598875e-06 5.56 -1.305597898e-06 -1.305597898e-06 5.58 -1.161093035e-06 -1.161093035e-06 5.60 -1.032939006e-06 -1.032939006e-06 5.62 -9.192448026e-07 -9.192448026e-07 5.64 -8.183429008e-07 -8.183429008e-07 5.66 -7.287622766e-07 -7.287622766e-07 5.68 -6.492047505e-07 -6.492047505e-07 5.70 -5.785242411e-07 -5.785242411e-07 5.72 -5.157085611e-07 -5.157085611e-07 5.74 -4.598634390e-07 -4.598634390e-07 5.76 -4.101984874e-07 -4.101984874e-07 5.78 -3.660148769e-07 -3.660148769e-07 5.80 -3.266945035e-07 -3.266945035e-07 5.82 -2.916904642e-07 -2.916904642e-07 5.84 -2.605186808e-07 -2.605186808e-07 5.86 -2.327505291e-07 -2.327505291e-07 5.88 -2.080063519e-07 -2.080063519e-07 5.90 -1.859497458e-07 -1.859497458e-07 5.92 -1.662825295e-07 -1.662825295e-07 5.94 -1.487403091e-07 -1.487403091e-07 5.96 -1.330885686e-07 -1.330885686e-07 5.98 -1.191192228e-07 -1.191192228e-07 6.00 -1.066475757e-07 -1.066475757e-07