# 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 = Cu2NiW # 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 1.642869051e+02 1.642869051e+02 1.30 1.507737121e+02 1.507737121e+02 1.32 1.383546039e+02 1.383546039e+02 1.34 1.269338493e+02 1.269338493e+02 1.36 1.164222867e+02 1.164222867e+02 1.38 1.067379618e+02 1.067379618e+02 1.40 9.780679845e+01 9.780679845e+01 1.42 8.956345591e+01 8.956345591e+01 1.44 8.195122757e+01 8.195122757e+01 1.46 7.492044146e+01 7.492044146e+01 1.48 6.842628227e+01 6.842628227e+01 1.50 6.242736199e+01 6.242736199e+01 1.52 5.688551005e+01 5.688551005e+01 1.54 5.176609959e+01 5.176609959e+01 1.56 4.703799885e+01 4.703799885e+01 1.58 4.267306516e+01 4.267306516e+01 1.60 3.864572941e+01 3.864572941e+01 1.62 3.493290865e+01 3.493290865e+01 1.64 3.151415233e+01 3.151415233e+01 1.66 2.837134557e+01 2.837134557e+01 1.68 2.548697492e+01 2.548697492e+01 1.70 2.284386774e+01 2.284386774e+01 1.72 2.042457223e+01 2.042457223e+01 1.74 1.821106496e+01 1.821106496e+01 1.76 1.618479348e+01 1.618479348e+01 1.78 1.432747292e+01 1.432747292e+01 1.80 1.262183444e+01 1.262183444e+01 1.82 1.105233802e+01 1.105233802e+01 1.84 9.605669517e+00 9.605669517e+00 1.86 8.270855212e+00 8.270855212e+00 1.88 7.039025817e+00 7.039025817e+00 1.90 5.902967680e+00 5.902967680e+00 1.92 4.856623703e+00 4.856623703e+00 1.94 3.894669138e+00 3.894669138e+00 1.96 3.012219449e+00 3.012219449e+00 1.98 2.204659077e+00 2.204659077e+00 2.00 1.467541755e+00 1.467541755e+00 2.02 7.965172562e-01 7.965172562e-01 2.04 1.872682087e-01 1.872682087e-01 2.06 -3.645346581e-01 -3.645346581e-01 2.08 -8.632430935e-01 -8.632430935e-01 2.10 -1.313198643e+00 -1.313198643e+00 2.12 -1.718660375e+00 -1.718660375e+00 2.14 -2.083709530e+00 -2.083709530e+00 2.16 -2.412155830e+00 -2.412155830e+00 2.18 -2.707437466e+00 -2.707437466e+00 2.20 -2.972546907e+00 -2.972546907e+00 2.22 -3.210444997e+00 -3.210444997e+00 2.24 -3.423768674e+00 -3.423768674e+00 2.26 -3.614850313e+00 -3.614850313e+00 2.28 -3.785798723e+00 -3.785798723e+00 2.30 -3.938493730e+00 -3.938493730e+00 2.32 -4.074267081e+00 -4.074267081e+00 2.34 -4.194361422e+00 -4.194361422e+00 2.36 -4.300078326e+00 -4.300078326e+00 2.38 -4.392655916e+00 -4.392655916e+00 2.40 -4.473178355e+00 -4.473178355e+00 2.42 -4.542537125e+00 -4.542537125e+00 2.44 -4.601442695e+00 -4.601442695e+00 2.46 -4.650467683e+00 -4.650467683e+00 2.48 -4.690098066e+00 -4.690098066e+00 2.50 -4.720775884e+00 -4.720775884e+00 2.52 -4.742927151e+00 -4.742927151e+00 2.54 -4.756973481e+00 -4.756973481e+00 2.56 -4.763340356e+00 -4.763340356e+00 2.58 -4.762458254e+00 -4.762458254e+00 2.60 -4.754762971e+00 -4.754762971e+00 2.62 -4.740697890e+00 -4.740697890e+00 2.64 -4.720718460e+00 -4.720718460e+00 2.66 -4.695270467e+00 -4.695270467e+00 2.68 -4.664671169e+00 -4.664671169e+00 2.70 -4.629229206e+00 -4.629229206e+00 2.72 -4.589503425e+00 -4.589503425e+00 2.74 -4.546084547e+00 -4.546084547e+00 2.76 -4.498890566e+00 -4.498890566e+00 2.78 -4.447886249e+00 -4.447886249e+00 2.80 -4.393082398e+00 -4.393082398e+00 2.82 -4.334515957e+00 -4.334515957e+00 2.84 -4.272240708e+00 -4.272240708e+00 2.86 -4.206327903e+00 -4.206327903e+00 2.88 -4.136879306e+00 -4.136879306e+00 2.90 -4.064073467e+00 -4.064073467e+00 2.92 -3.988143947e+00 -3.988143947e+00 2.94 -3.909366424e+00 -3.909366424e+00 2.96 -3.828062647e+00 -3.828062647e+00 2.98 -3.744597892e+00 -3.744597892e+00 3.00 -3.659371691e+00 -3.659371691e+00 3.02 -3.572802775e+00 -3.572802775e+00 3.04 -3.485310008e+00 -3.485310008e+00 3.06 -3.397291639e+00 -3.397291639e+00 3.08 -3.309105474e+00 -3.309105474e+00 3.10 -3.221052384e+00 -3.221052384e+00 3.12 -3.133364947e+00 -3.133364947e+00 3.14 -3.046202230e+00 -3.046202230e+00 3.16 -2.959650798e+00 -2.959650798e+00 3.18 -2.873731335e+00 -2.873731335e+00 3.20 -2.788409783e+00 -2.788409783e+00 3.22 -2.703611710e+00 -2.703611710e+00 3.24 -2.619238622e+00 -2.619238622e+00 3.26 -2.535185052e+00 -2.535185052e+00 3.28 -2.451355371e+00 -2.451355371e+00 3.30 -2.367679380e+00 -2.367679380e+00 3.32 -2.284125786e+00 -2.284125786e+00 3.34 -2.200712730e+00 -2.200712730e+00 3.36 -2.117514593e+00 -2.117514593e+00 3.38 -2.034664510e+00 -2.034664510e+00 3.40 -1.952352226e+00 -1.952352226e+00 3.42 -1.870817329e+00 -1.870817329e+00 3.44 -1.790338262e+00 -1.790338262e+00 3.46 -1.711217980e+00 -1.711217980e+00 3.48 -1.633767465e+00 -1.633767465e+00 3.50 -1.558288570e+00 -1.558288570e+00 3.52 -1.485057747e+00 -1.485057747e+00 3.54 -1.414312106e+00 -1.414312106e+00 3.56 -1.346238912e+00 -1.346238912e+00 3.58 -1.280969240e+00 -1.280969240e+00 3.60 -1.218575969e+00 -1.218575969e+00 3.62 -1.159075879e+00 -1.159075879e+00 3.64 -1.102435215e+00 -1.102435215e+00 3.66 -1.048577893e+00 -1.048577893e+00 3.68 -9.973954003e-01 -9.973954003e-01 3.70 -9.487574870e-01 -9.487574870e-01 3.72 -9.025228053e-01 -9.025228053e-01 3.74 -8.585487666e-01 -8.585487666e-01 3.76 -8.166999925e-01 -8.166999925e-01 3.78 -7.768548372e-01 -7.768548372e-01 3.80 -7.389095773e-01 -7.389095773e-01 3.82 -7.027800238e-01 -7.027800238e-01 3.84 -6.684005345e-01 -6.684005345e-01 3.86 -6.357206838e-01 -6.357206838e-01 3.88 -6.047001491e-01 -6.047001491e-01 3.90 -5.753026220e-01 -5.753026220e-01 3.92 -5.474896886e-01 -5.474896886e-01 3.94 -5.212155747e-01 -5.212155747e-01 3.96 -4.964234393e-01 -4.964234393e-01 3.98 -4.730435620e-01 -4.730435620e-01 4.00 -4.509934044e-01 -4.509934044e-01 4.02 -4.301792226e-01 -4.301792226e-01 4.04 -4.104987304e-01 -4.104987304e-01 4.06 -3.918442694e-01 -3.918442694e-01 4.08 -3.741060182e-01 -3.741060182e-01 4.10 -3.571749079e-01 -3.571749079e-01 4.12 -3.409450691e-01 -3.409450691e-01 4.14 -3.253157711e-01 -3.253157711e-01 4.16 -3.101929120e-01 -3.101929120e-01 4.18 -2.954901765e-01 -2.954901765e-01 4.20 -2.811299940e-01 -2.811299940e-01 4.22 -2.670444220e-01 -2.670444220e-01 4.24 -2.531760477e-01 -2.531760477e-01 4.26 -2.394789526e-01 -2.394789526e-01 4.28 -2.259197348e-01 -2.259197348e-01 4.30 -2.124785209e-01 -2.124785209e-01 4.32 -1.991498443e-01 -1.991498443e-01 4.34 -1.859432189e-01 -1.859432189e-01 4.36 -1.728832088e-01 -1.728832088e-01 4.38 -1.600087958e-01 -1.600087958e-01 4.40 -1.473718899e-01 -1.473718899e-01 4.42 -1.350349072e-01 -1.350349072e-01 4.44 -1.230674609e-01 -1.230674609e-01 4.46 -1.115423467e-01 -1.115423467e-01 4.48 -1.005311307e-01 -1.005311307e-01 4.50 -9.009974260e-02 -9.009974260e-02 4.52 -8.030450019e-02 -8.030450019e-02 4.54 -7.118895224e-02 -7.118895224e-02 4.56 -6.278181249e-02 -6.278181249e-02 4.58 -5.509611264e-02 -5.509611264e-02 4.60 -4.812953627e-02 -4.812953627e-02 4.62 -4.186575917e-02 -4.186575917e-02 4.64 -3.627638372e-02 -3.627638372e-02 4.66 -3.132353168e-02 -3.132353168e-02 4.68 -2.696304931e-02 -2.696304931e-02 4.70 -2.314649194e-02 -2.314649194e-02 4.72 -1.982303345e-02 -1.982303345e-02 4.74 -1.694224411e-02 -1.694224411e-02 4.76 -1.445548207e-02 -1.445548207e-02 4.78 -1.231649459e-02 -1.231649459e-02 4.80 -1.048223230e-02 -1.048223230e-02 4.82 -8.913315960e-03 -8.913315960e-03 4.84 -7.574231247e-03 -7.574231247e-03 4.86 -6.433322898e-03 -6.433322898e-03 4.88 -5.462648514e-03 -5.462648514e-03 4.90 -4.637741909e-03 -4.637741909e-03 4.92 -3.937324594e-03 -3.937324594e-03 4.94 -3.342994027e-03 -3.342994027e-03 4.96 -2.838908978e-03 -2.838908978e-03 4.98 -2.411485641e-03 -2.411485641e-03 5.00 -2.049113015e-03 -2.049113015e-03 5.02 -1.741892287e-03 -1.741892287e-03 5.04 -1.481402249e-03 -1.481402249e-03 5.06 -1.260490956e-03 -1.260490956e-03 5.08 -1.073092619e-03 -1.073092619e-03 5.10 -9.140680461e-04 -9.140680461e-04 5.12 -7.790665267e-04 -7.790665267e-04 5.14 -6.644069496e-04 -6.644069496e-04 5.16 -5.669759231e-04 -5.669759231e-04 5.18 -4.841407880e-04 -4.841407880e-04 5.20 -4.136755609e-04 -4.136755609e-04 5.22 -3.536980372e-04 -3.536980372e-04 5.24 -3.026164730e-04 -3.026164730e-04 5.26 -2.590844561e-04 -2.590844561e-04 5.28 -2.219627504e-04 -2.219627504e-04 5.30 -1.902870682e-04 -1.902870682e-04 5.32 -1.632408645e-04 -1.632408645e-04 5.34 -1.401323822e-04 -1.401323822e-04 5.36 -1.203752904e-04 -1.203752904e-04 5.38 -1.034723531e-04 -1.034723531e-04 5.40 -8.900165706e-05 -8.900165706e-05 5.42 -7.660499430e-05 -7.660499430e-05 5.44 -6.597806218e-05 -6.597806218e-05 5.46 -5.686219339e-05 -5.686219339e-05 5.48 -4.903737523e-05 -4.903737523e-05 5.50 -4.231635493e-05 -4.231635493e-05 5.52 -3.653965978e-05 -3.653965978e-05 5.54 -3.157138823e-05 -3.157138823e-05 5.56 -2.729565081e-05 -2.729565081e-05 5.58 -2.361355892e-05 -2.361355892e-05 5.60 -2.044067577e-05 -2.044067577e-05 5.62 -1.770485732e-05 -1.770485732e-05 5.64 -1.534442248e-05 -1.534442248e-05 5.66 -1.330660134e-05 -1.330660134e-05 5.68 -1.154621851e-05 -1.154621851e-05 5.70 -1.002457514e-05 -1.002457514e-05 5.72 -8.708499116e-06 -8.708499116e-06 5.74 -7.569537582e-06 -7.569537582e-06 5.76 -6.583270029e-06 -6.583270029e-06 5.78 -5.728723592e-06 -5.728723592e-06 5.80 -4.987875025e-06 -4.987875025e-06 5.82 -4.345226211e-06 -4.345226211e-06 5.84 -3.787442152e-06 -3.787442152e-06 5.86 -3.303042013e-06 -3.303042013e-06 5.88 -2.882135295e-06 -2.882135295e-06 5.90 -2.516196401e-06 -2.516196401e-06 5.92 -2.197871879e-06 -2.197871879e-06 5.94 -1.920815501e-06 -1.920815501e-06 5.96 -1.679547084e-06 -1.679547084e-06 5.98 -1.469331539e-06 -1.469331539e-06 6.00 -1.286075204e-06 -1.286075204e-06