# 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 = Cu2FePt # 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 1.759416963e+02 1.759416963e+02 1.30 1.618389005e+02 1.618389005e+02 1.32 1.488023961e+02 1.488023961e+02 1.34 1.367587748e+02 1.367587748e+02 1.36 1.256366835e+02 1.256366835e+02 1.38 1.153625294e+02 1.153625294e+02 1.40 1.058605624e+02 1.058605624e+02 1.42 9.705674579e+01 9.705674579e+01 1.44 8.888378359e+01 8.888378359e+01 1.46 8.128509530e+01 8.128509530e+01 1.48 7.421600095e+01 7.421600095e+01 1.50 6.764130873e+01 6.764130873e+01 1.52 6.153055803e+01 6.153055803e+01 1.54 5.585371105e+01 5.585371105e+01 1.56 5.057939046e+01 5.057939046e+01 1.58 4.567556762e+01 4.567556762e+01 1.60 4.111125073e+01 4.111125073e+01 1.62 3.688011812e+01 3.688011812e+01 1.64 3.301017030e+01 3.301017030e+01 1.66 2.947354562e+01 2.947354562e+01 1.68 2.624373668e+01 2.624373668e+01 1.70 2.329770848e+01 2.329770848e+01 1.72 2.061466713e+01 2.061466713e+01 1.74 1.817495081e+01 1.817495081e+01 1.76 1.595931742e+01 1.595931742e+01 1.78 1.394881263e+01 1.394881263e+01 1.80 1.212509559e+01 1.212509559e+01 1.82 1.047088650e+01 1.047088650e+01 1.84 8.970251508e+00 8.970251508e+00 1.86 7.608638038e+00 7.608638038e+00 1.88 6.372744295e+00 6.372744295e+00 1.90 5.250373751e+00 5.250373751e+00 1.92 4.230384400e+00 4.230384400e+00 1.94 3.302743009e+00 3.302743009e+00 1.96 2.458613047e+00 2.458613047e+00 1.98 1.690383283e+00 1.690383283e+00 2.00 9.915794132e-01 9.915794132e-01 2.02 3.566682773e-01 3.566682773e-01 2.04 -2.191813353e-01 -2.191813353e-01 2.06 -7.403118615e-01 -7.403118615e-01 2.08 -1.210728804e+00 -1.210728804e+00 2.10 -1.634191529e+00 -1.634191529e+00 2.12 -2.014258291e+00 -2.014258291e+00 2.14 -2.354300380e+00 -2.354300380e+00 2.16 -2.657497940e+00 -2.657497940e+00 2.18 -2.926829707e+00 -2.926829707e+00 2.20 -3.165066738e+00 -3.165066738e+00 2.22 -3.374774773e+00 -3.374774773e+00 2.24 -3.558325375e+00 -3.558325375e+00 2.26 -3.717915321e+00 -3.717915321e+00 2.28 -3.856353208e+00 -3.856353208e+00 2.30 -3.976683156e+00 -3.976683156e+00 2.32 -4.080186033e+00 -4.080186033e+00 2.34 -4.168090419e+00 -4.168090419e+00 2.36 -4.241583694e+00 -4.241583694e+00 2.38 -4.301776980e+00 -4.301776980e+00 2.40 -4.349681987e+00 -4.349681987e+00 2.42 -4.386209995e+00 -4.386209995e+00 2.44 -4.412191644e+00 -4.412191644e+00 2.46 -4.428408343e+00 -4.428408343e+00 2.48 -4.435624848e+00 -4.435624848e+00 2.50 -4.434614497e+00 -4.434614497e+00 2.52 -4.426170013e+00 -4.426170013e+00 2.54 -4.411094824e+00 -4.411094824e+00 2.56 -4.390175130e+00 -4.390175130e+00 2.58 -4.364141921e+00 -4.364141921e+00 2.60 -4.333922893e+00 -4.333922893e+00 2.62 -4.300168569e+00 -4.300168569e+00 2.64 -4.262784624e+00 -4.262784624e+00 2.66 -4.221715764e+00 -4.221715764e+00 2.68 -4.176961664e+00 -4.176961664e+00 2.70 -4.128581375e+00 -4.128581375e+00 2.72 -4.076691864e+00 -4.076691864e+00 2.74 -4.021458690e+00 -4.021458690e+00 2.76 -3.963095602e+00 -3.963095602e+00 2.78 -3.901819092e+00 -3.901819092e+00 2.80 -3.837800724e+00 -3.837800724e+00 2.82 -3.771210502e+00 -3.771210502e+00 2.84 -3.702221537e+00 -3.702221537e+00 2.86 -3.631019046e+00 -3.631019046e+00 2.88 -3.557813223e+00 -3.557813223e+00 2.90 -3.482852302e+00 -3.482852302e+00 2.92 -3.406432064e+00 -3.406432064e+00 2.94 -3.328898320e+00 -3.328898320e+00 2.96 -3.250706464e+00 -3.250706464e+00 2.98 -3.172500418e+00 -3.172500418e+00 3.00 -3.094870586e+00 -3.094870586e+00 3.02 -3.018286995e+00 -3.018286995e+00 3.04 -2.943084641e+00 -2.943084641e+00 3.06 -2.869462771e+00 -2.869462771e+00 3.08 -2.797498783e+00 -2.797498783e+00 3.10 -2.727173317e+00 -2.727173317e+00 3.12 -2.658400660e+00 -2.658400660e+00 3.14 -2.591058836e+00 -2.591058836e+00 3.16 -2.525015312e+00 -2.525015312e+00 3.18 -2.460146475e+00 -2.460146475e+00 3.20 -2.396350637e+00 -2.396350637e+00 3.22 -2.333555299e+00 -2.333555299e+00 3.24 -2.271719777e+00 -2.271719777e+00 3.26 -2.210834222e+00 -2.210834222e+00 3.28 -2.150915956e+00 -2.150915956e+00 3.30 -2.092003908e+00 -2.092003908e+00 3.32 -2.034151878e+00 -2.034151878e+00 3.34 -1.977421341e+00 -1.977421341e+00 3.36 -1.921874488e+00 -1.921874488e+00 3.38 -1.867568102e+00 -1.867568102e+00 3.40 -1.814548743e+00 -1.814548743e+00 3.42 -1.762849469e+00 -1.762849469e+00 3.44 -1.712488149e+00 -1.712488149e+00 3.46 -1.663467192e+00 -1.663467192e+00 3.48 -1.615774403e+00 -1.615774403e+00 3.50 -1.569384623e+00 -1.569384623e+00 3.52 -1.524261811e+00 -1.524261811e+00 3.54 -1.480361298e+00 -1.480361298e+00 3.56 -1.437631995e+00 -1.437631995e+00 3.58 -1.396018482e+00 -1.396018482e+00 3.60 -1.355462899e+00 -1.355462899e+00 3.62 -1.315906694e+00 -1.315906694e+00 3.64 -1.277292258e+00 -1.277292258e+00 3.66 -1.239564498e+00 -1.239564498e+00 3.68 -1.202672411e+00 -1.202672411e+00 3.70 -1.166570630e+00 -1.166570630e+00 3.72 -1.131220896e+00 -1.131220896e+00 3.74 -1.096593342e+00 -1.096593342e+00 3.76 -1.062667388e+00 -1.062667388e+00 3.78 -1.029432042e+00 -1.029432042e+00 3.80 -9.968853953e-01 -9.968853953e-01 3.82 -9.650331730e-01 -9.650331730e-01 3.84 -9.338863438e-01 -9.338863438e-01 3.86 -9.034579620e-01 -9.034579620e-01 3.88 -8.737596006e-01 -8.737596006e-01 3.90 -8.447978530e-01 -8.447978530e-01 3.92 -8.165714149e-01 -8.165714149e-01 3.94 -7.890691794e-01 -7.890691794e-01 3.96 -7.622695860e-01 -7.622695860e-01 3.98 -7.361412962e-01 -7.361412962e-01 4.00 -7.106450328e-01 -7.106450328e-01 4.02 -6.857363068e-01 -6.857363068e-01 4.04 -6.613686833e-01 -6.613686833e-01 4.06 -6.374972305e-01 -6.374972305e-01 4.08 -6.140818233e-01 -6.140818233e-01 4.10 -5.910900142e-01 -5.910900142e-01 4.12 -5.684992482e-01 -5.684992482e-01 4.14 -5.462981832e-01 -5.462981832e-01 4.16 -5.244870465e-01 -5.244870465e-01 4.18 -5.030769343e-01 -5.030769343e-01 4.20 -4.820881374e-01 -4.820881374e-01 4.22 -4.615476867e-01 -4.615476867e-01 4.24 -4.414864286e-01 -4.414864286e-01 4.26 -4.219360207e-01 -4.219360207e-01 4.28 -4.029262397e-01 -4.029262397e-01 4.30 -3.844829231e-01 -3.844829231e-01 4.32 -3.666267209e-01 -3.666267209e-01 4.34 -3.493726648e-01 -3.493726648e-01 4.36 -3.327303996e-01 -3.327303996e-01 4.38 -3.167048133e-01 -3.167048133e-01 4.40 -3.012967692e-01 -3.012967692e-01 4.42 -2.865036791e-01 -2.865036791e-01 4.44 -2.723197582e-01 -2.723197582e-01 4.46 -2.587359191e-01 -2.587359191e-01 4.48 -2.457393815e-01 -2.457393815e-01 4.50 -2.333131578e-01 -2.333131578e-01 4.52 -2.214356068e-01 -2.214356068e-01 4.54 -2.100802389e-01 -2.100802389e-01 4.56 -1.992159002e-01 -1.992159002e-01 4.58 -1.888073937e-01 -1.888073937e-01 4.60 -1.788165227e-01 -1.788165227e-01 4.62 -1.692034787e-01 -1.692034787e-01 4.64 -1.599284732e-01 -1.599284732e-01 4.66 -1.509534816e-01 -1.509534816e-01 4.68 -1.422439396e-01 -1.422439396e-01 4.70 -1.337703256e-01 -1.337703256e-01 4.72 -1.255101501e-01 -1.255101501e-01 4.74 -1.174472943e-01 -1.174472943e-01 4.76 -1.095732341e-01 -1.095732341e-01 4.78 -1.018883563e-01 -1.018883563e-01 4.80 -9.440074270e-02 -9.440074270e-02 4.82 -8.712529699e-02 -8.712529699e-02 4.84 -8.008242153e-02 -8.008242153e-02 4.86 -7.329632792e-02 -7.329632792e-02 4.88 -6.679310310e-02 -6.679310310e-02 4.90 -6.059869291e-02 -6.059869291e-02 4.92 -5.473697449e-02 -5.473697449e-02 4.94 -4.922807867e-02 -4.922807867e-02 4.96 -4.408709149e-02 -4.408709149e-02 4.98 -3.932321503e-02 -3.932321503e-02 5.00 -3.493941152e-02 -3.493941152e-02 5.02 -3.093250093e-02 -3.093250093e-02 5.04 -2.729363958e-02 -2.729363958e-02 5.06 -2.400908100e-02 -2.400908100e-02 5.08 -2.106111014e-02 -2.106111014e-02 5.10 -1.842904712e-02 -1.842904712e-02 5.12 -1.609023856e-02 -1.609023856e-02 5.14 -1.402096716e-02 -1.402096716e-02 5.16 -1.219718871e-02 -1.219718871e-02 5.18 -1.059497435e-02 -1.059497435e-02 5.20 -9.191768392e-03 -9.191768392e-03 5.22 -7.966224226e-03 -7.966224226e-03 5.24 -6.898367337e-03 -6.898367337e-03 5.26 -5.969771045e-03 -5.969771045e-03 5.28 -5.163635237e-03 -5.163635237e-03 5.30 -4.464792044e-03 -4.464792044e-03 5.32 -3.859659045e-03 -3.859659045e-03 5.34 -3.336156993e-03 -3.336156993e-03 5.36 -2.883605512e-03 -2.883605512e-03 5.38 -2.492607048e-03 -2.492607048e-03 5.40 -2.154926653e-03 -2.154926653e-03 5.42 -1.863373011e-03 -1.863373011e-03 5.44 -1.611684288e-03 -1.611684288e-03 5.46 -1.394421136e-03 -1.394421136e-03 5.48 -1.206868104e-03 -1.206868104e-03 5.50 -1.044944033e-03 -1.044944033e-03 5.52 -9.051214859e-04 -9.051214859e-04 5.54 -7.843549152e-04 -7.843549152e-04 5.56 -6.800170866e-04 -6.800170866e-04 5.58 -5.898431188e-04 -5.898431188e-04 5.60 -5.118814669e-04 -5.118814669e-04 5.62 -4.444511544e-04 -4.444511544e-04 5.64 -3.861045771e-04 -3.861045771e-04 5.66 -3.355952390e-04 -3.355952390e-04 5.68 -2.918498281e-04 -2.918498281e-04 5.70 -2.539440910e-04 -2.539440910e-04 5.72 -2.210820210e-04 -2.210820210e-04 5.74 -1.925779250e-04 -1.925779250e-04 5.76 -1.678409850e-04 -1.678409850e-04 5.78 -1.463619783e-04 -1.463619783e-04 5.80 -1.277018594e-04 -1.277018594e-04 5.82 -1.114819476e-04 -1.114819476e-04 5.84 -9.737549534e-05 -9.737549534e-05 5.86 -8.510044606e-05 -8.510044606e-05 5.88 -7.441321203e-05 -7.441321203e-05 5.90 -6.510332975e-05 -6.510332975e-05 5.92 -5.698886803e-05 -5.698886803e-05 5.94 -4.991248225e-05 -4.991248225e-05 5.96 -4.373802301e-05 -4.373802301e-05 5.98 -3.834762062e-05 -3.834762062e-05 6.00 -3.363917786e-05 -3.363917786e-05