# 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 = Al2NiZr # 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 1.429062935e+02 1.429062935e+02 1.30 1.327254894e+02 1.327254894e+02 1.32 1.232743602e+02 1.232743602e+02 1.34 1.144958788e+02 1.144958788e+02 1.36 1.063382097e+02 1.063382097e+02 1.38 9.875556693e+01 9.875556693e+01 1.40 9.170732844e+01 9.170732844e+01 1.42 8.515582680e+01 8.515582680e+01 1.44 7.906427228e+01 7.906427228e+01 1.46 7.339599955e+01 7.339599955e+01 1.48 6.811552717e+01 6.811552717e+01 1.50 6.319065880e+01 6.319065880e+01 1.52 5.859399202e+01 5.859399202e+01 1.54 5.430270861e+01 5.430270861e+01 1.56 5.029720133e+01 5.029720133e+01 1.58 4.655958830e+01 4.655958830e+01 1.60 4.307274150e+01 4.307274150e+01 1.62 3.981982365e+01 3.981982365e+01 1.64 3.678420278e+01 3.678420278e+01 1.66 3.394956818e+01 3.394956818e+01 1.68 3.130026691e+01 3.130026691e+01 1.70 2.882183876e+01 2.882183876e+01 1.72 2.650161448e+01 2.650161448e+01 1.74 2.432881375e+01 2.432881375e+01 1.76 2.229349871e+01 2.229349871e+01 1.78 2.038673127e+01 2.038673127e+01 1.80 1.860038301e+01 1.860038301e+01 1.82 1.692786444e+01 1.692786444e+01 1.84 1.536496077e+01 1.536496077e+01 1.86 1.390525212e+01 1.390525212e+01 1.88 1.254255505e+01 1.254255505e+01 1.90 1.127104453e+01 1.127104453e+01 1.92 1.008512449e+01 1.008512449e+01 1.94 8.979300573e+00 8.979300573e+00 1.96 7.948140535e+00 7.948140535e+00 1.98 6.986355363e+00 6.986355363e+00 2.00 6.088969970e+00 6.088969970e+00 2.02 5.251493983e+00 5.251493983e+00 2.04 4.470013321e+00 4.470013321e+00 2.06 3.741156313e+00 3.741156313e+00 2.08 3.061950498e+00 3.061950498e+00 2.10 2.429657456e+00 2.429657456e+00 2.12 1.841635527e+00 1.841635527e+00 2.14 1.295275905e+00 1.295275905e+00 2.16 7.880028890e-01 7.880028890e-01 2.18 3.172999023e-01 3.172999023e-01 2.20 -1.192506597e-01 -1.192506597e-01 2.22 -5.239480022e-01 -5.239480022e-01 2.24 -8.989537795e-01 -8.989537795e-01 2.26 -1.246272171e+00 -1.246272171e+00 2.28 -1.567739999e+00 -1.567739999e+00 2.30 -1.864997791e+00 -1.864997791e+00 2.32 -2.139507309e+00 -2.139507309e+00 2.34 -2.392555728e+00 -2.392555728e+00 2.36 -2.625288080e+00 -2.625288080e+00 2.38 -2.838734390e+00 -2.838734390e+00 2.40 -3.033838976e+00 -3.033838976e+00 2.42 -3.211494611e+00 -3.211494611e+00 2.44 -3.372568348e+00 -3.372568348e+00 2.46 -3.517930701e+00 -3.517930701e+00 2.48 -3.648470742e+00 -3.648470742e+00 2.50 -3.765155164e+00 -3.765155164e+00 2.52 -3.868915654e+00 -3.868915654e+00 2.54 -3.960652132e+00 -3.960652132e+00 2.56 -4.041302452e+00 -4.041302452e+00 2.58 -4.111837527e+00 -4.111837527e+00 2.60 -4.173247554e+00 -4.173247554e+00 2.62 -4.226513277e+00 -4.226513277e+00 2.64 -4.272570523e+00 -4.272570523e+00 2.66 -4.312184475e+00 -4.312184475e+00 2.68 -4.345901795e+00 -4.345901795e+00 2.70 -4.374179573e+00 -4.374179573e+00 2.72 -4.397396892e+00 -4.397396892e+00 2.74 -4.415865245e+00 -4.415865245e+00 2.76 -4.429844345e+00 -4.429844345e+00 2.78 -4.439552230e+00 -4.439552230e+00 2.80 -4.445180782e+00 -4.445180782e+00 2.82 -4.446888437e+00 -4.446888437e+00 2.84 -4.444813330e+00 -4.444813330e+00 2.86 -4.439076201e+00 -4.439076201e+00 2.88 -4.429776212e+00 -4.429776212e+00 2.90 -4.416950663e+00 -4.416950663e+00 2.92 -4.400635186e+00 -4.400635186e+00 2.94 -4.381163626e+00 -4.381163626e+00 2.96 -4.359630573e+00 -4.359630573e+00 2.98 -4.335883912e+00 -4.335883912e+00 3.00 -4.309704144e+00 -4.309704144e+00 3.02 -4.280955178e+00 -4.280955178e+00 3.04 -4.249576379e+00 -4.249576379e+00 3.06 -4.215582637e+00 -4.215582637e+00 3.08 -4.179041674e+00 -4.179041674e+00 3.10 -4.140070227e+00 -4.140070227e+00 3.12 -4.098818688e+00 -4.098818688e+00 3.14 -4.055479278e+00 -4.055479278e+00 3.16 -4.010249615e+00 -4.010249615e+00 3.18 -3.963320221e+00 -3.963320221e+00 3.20 -3.914868638e+00 -3.914868638e+00 3.22 -3.865058796e+00 -3.865058796e+00 3.24 -3.814042966e+00 -3.814042966e+00 3.26 -3.761965111e+00 -3.761965111e+00 3.28 -3.708964303e+00 -3.708964303e+00 3.30 -3.655176855e+00 -3.655176855e+00 3.32 -3.600736293e+00 -3.600736293e+00 3.34 -3.545771056e+00 -3.545771056e+00 3.36 -3.490400690e+00 -3.490400690e+00 3.38 -3.434731915e+00 -3.434731915e+00 3.40 -3.378854939e+00 -3.378854939e+00 3.42 -3.322846843e+00 -3.322846843e+00 3.44 -3.266766396e+00 -3.266766396e+00 3.46 -3.210661440e+00 -3.210661440e+00 3.48 -3.154570960e+00 -3.154570960e+00 3.50 -3.098528236e+00 -3.098528236e+00 3.52 -3.042563318e+00 -3.042563318e+00 3.54 -2.986704696e+00 -2.986704696e+00 3.56 -2.930980190e+00 -2.930980190e+00 3.58 -2.875417238e+00 -2.875417238e+00 3.60 -2.820042777e+00 -2.820042777e+00 3.62 -2.764882911e+00 -2.764882911e+00 3.64 -2.709962534e+00 -2.709962534e+00 3.66 -2.655305054e+00 -2.655305054e+00 3.68 -2.600932354e+00 -2.600932354e+00 3.70 -2.546865097e+00 -2.546865097e+00 3.72 -2.493123458e+00 -2.493123458e+00 3.74 -2.439728289e+00 -2.439728289e+00 3.76 -2.386702658e+00 -2.386702658e+00 3.78 -2.334073562e+00 -2.334073562e+00 3.80 -2.281873513e+00 -2.281873513e+00 3.82 -2.230141595e+00 -2.230141595e+00 3.84 -2.178923560e+00 -2.178923560e+00 3.86 -2.128270639e+00 -2.128270639e+00 3.88 -2.078236952e+00 -2.078236952e+00 3.90 -2.028875728e+00 -2.028875728e+00 3.92 -1.980233590e+00 -1.980233590e+00 3.94 -1.932351642e+00 -1.932351642e+00 3.96 -1.885253492e+00 -1.885253492e+00 3.98 -1.838949313e+00 -1.838949313e+00 4.00 -1.793433976e+00 -1.793433976e+00 4.02 -1.748688374e+00 -1.748688374e+00 4.04 -1.704681943e+00 -1.704681943e+00 4.06 -1.661375887e+00 -1.661375887e+00 4.08 -1.618726640e+00 -1.618726640e+00 4.10 -1.576685274e+00 -1.576685274e+00 4.12 -1.535217129e+00 -1.535217129e+00 4.14 -1.494278409e+00 -1.494278409e+00 4.16 -1.453836911e+00 -1.453836911e+00 4.18 -1.413869142e+00 -1.413869142e+00 4.20 -1.374361970e+00 -1.374361970e+00 4.22 -1.335313850e+00 -1.335313850e+00 4.24 -1.296735536e+00 -1.296735536e+00 4.26 -1.258650129e+00 -1.258650129e+00 4.28 -1.221092367e+00 -1.221092367e+00 4.30 -1.184107081e+00 -1.184107081e+00 4.32 -1.147746854e+00 -1.147746854e+00 4.34 -1.112069055e+00 -1.112069055e+00 4.36 -1.077132462e+00 -1.077132462e+00 4.38 -1.042993834e+00 -1.042993834e+00 4.40 -1.009704701e+00 -1.009704701e+00 4.42 -9.773086856e-01 -9.773086856e-01 4.44 -9.458394704e-01 -9.458394704e-01 4.46 -9.153194922e-01 -9.153194922e-01 4.48 -8.857592980e-01 -8.857592980e-01 4.50 -8.571574621e-01 -8.571574621e-01 4.52 -8.295009414e-01 -8.295009414e-01 4.54 -8.027657646e-01 -8.027657646e-01 4.56 -7.769179808e-01 -7.769179808e-01 4.58 -7.519148208e-01 -7.519148208e-01 4.60 -7.277060413e-01 -7.277060413e-01 4.62 -7.042354212e-01 -7.042354212e-01 4.64 -6.814423747e-01 -6.814423747e-01 4.66 -6.592636392e-01 -6.592636392e-01 4.68 -6.376349922e-01 -6.376349922e-01 4.70 -6.164929589e-01 -6.164929589e-01 4.72 -5.957764796e-01 -5.957764796e-01 4.74 -5.754285180e-01 -5.754285180e-01 4.76 -5.553975983e-01 -5.553975983e-01 4.78 -5.356392583e-01 -5.356392583e-01 4.80 -5.161143494e-01 -5.161143494e-01 4.82 -4.968029586e-01 -4.968029586e-01 4.84 -4.776855003e-01 -4.776855003e-01 4.86 -4.587573971e-01 -4.587573971e-01 4.88 -4.400258010e-01 -4.400258010e-01 4.90 -4.215095332e-01 -4.215095332e-01 4.92 -4.032384876e-01 -4.032384876e-01 4.94 -3.852524447e-01 -3.852524447e-01 4.96 -3.675992915e-01 -3.675992915e-01 4.98 -3.503327005e-01 -3.503327005e-01 5.00 -3.335093924e-01 -3.335093924e-01 5.02 -3.171861633e-01 -3.171861633e-01 5.04 -3.014168986e-01 -3.014168986e-01 5.06 -2.862498079e-01 -2.862498079e-01 5.08 -2.717250976e-01 -2.717250976e-01 5.10 -2.578732443e-01 -2.578732443e-01 5.12 -2.447139684e-01 -2.447139684e-01 5.14 -2.322559240e-01 -2.322559240e-01 5.16 -2.204970538e-01 -2.204970538e-01 5.18 -2.094254998e-01 -2.094254998e-01 5.20 -1.990209262e-01 -1.990209262e-01 5.22 -1.892561000e-01 -1.892561000e-01 5.24 -1.800985833e-01 -1.800985833e-01 5.26 -1.715124123e-01 -1.715124123e-01 5.28 -1.634596673e-01 -1.634596673e-01 5.30 -1.559018653e-01 -1.559018653e-01 5.32 -1.488011411e-01 -1.488011411e-01 5.34 -1.421211960e-01 -1.421211960e-01 5.36 -1.358280123e-01 -1.358280123e-01 5.38 -1.298901519e-01 -1.298901519e-01 5.40 -1.242794749e-01 -1.242794749e-01 5.42 -1.189711140e-01 -1.189711140e-01 5.44 -1.139432239e-01 -1.139432239e-01 5.46 -1.091768082e-01 -1.091768082e-01 5.48 -1.046554279e-01 -1.046554279e-01 5.50 -1.003648250e-01 -1.003648250e-01 5.52 -9.629250087e-02 -9.629250087e-02 5.54 -9.242728417e-02 -9.242728417e-02 5.56 -8.875892565e-02 -8.875892565e-02 5.58 -8.527774438e-02 -8.527774438e-02 5.60 -8.197434594e-02 -8.197434594e-02 5.62 -7.883940418e-02 -7.883940418e-02 5.64 -7.586341330e-02 -7.586341330e-02 5.66 -7.303702262e-02 -7.303702262e-02 5.68 -7.035083414e-02 -7.035083414e-02 5.70 -6.779539048e-02 -6.779539048e-02 5.72 -6.536126523e-02 -6.536126523e-02 5.74 -6.303915962e-02 -6.303915962e-02 5.76 -6.081999394e-02 -6.081999394e-02 5.78 -5.869498613e-02 -5.869498613e-02 5.80 -5.665571325e-02 -5.665571325e-02 5.82 -5.469415480e-02 -5.469415480e-02 5.84 -5.280271909e-02 -5.280271909e-02 5.86 -5.097425506e-02 -5.097425506e-02 5.88 -4.920205308e-02 -4.920205308e-02 5.90 -4.747983844e-02 -4.747983844e-02 5.92 -4.580176113e-02 -4.580176113e-02 5.94 -4.416238524e-02 -4.416238524e-02 5.96 -4.255668083e-02 -4.255668083e-02 5.98 -4.098002080e-02 -4.098002080e-02 6.00 -3.942818592e-02 -3.942818592e-02