# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlCoMn2 # 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 2025-07-01 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 2.097190713e+02 2.097190713e+02 1.10 1.937121674e+02 1.937121674e+02 1.12 1.786971708e+02 1.786971708e+02 1.14 1.647920574e+02 1.647920574e+02 1.16 1.521724404e+02 1.521724404e+02 1.18 1.404698677e+02 1.404698677e+02 1.20 1.300573392e+02 1.300573392e+02 1.22 1.200718615e+02 1.200718615e+02 1.24 1.107508097e+02 1.107508097e+02 1.26 1.023221180e+02 1.023220585e+02 1.28 9.448152382e+01 9.448152382e+01 1.30 8.725200877e+01 8.725200877e+01 1.32 8.041697611e+01 8.041697611e+01 1.34 7.436680690e+01 7.436680690e+01 1.36 6.848727561e+01 6.848727561e+01 1.38 6.307055053e+01 6.307055053e+01 1.40 5.803079753e+01 5.803079753e+01 1.42 5.336350036e+01 5.336350036e+01 1.44 4.929604958e+01 4.929604958e+01 1.46 4.547191506e+01 4.547191506e+01 1.48 4.171163645e+01 4.171163645e+01 1.50 3.822706192e+01 3.822706192e+01 1.52 3.509309472e+01 3.509309472e+01 1.54 3.226858437e+01 3.226858437e+01 1.56 2.946597971e+01 2.946597971e+01 1.58 2.690282716e+01 2.690282716e+01 1.60 2.449163797e+01 2.449163797e+01 1.62 2.225668725e+01 2.225668725e+01 1.64 2.018515131e+01 2.018515131e+01 1.66 1.835739375e+01 1.835739375e+01 1.68 1.665776552e+01 1.665776552e+01 1.70 1.499296502e+01 1.499296502e+01 1.72 1.345099385e+01 1.345099385e+01 1.74 1.212247383e+01 1.212247383e+01 1.76 1.079188191e+01 1.079188191e+01 1.78 9.560564909e+00 9.560564909e+00 1.80 8.421523198e+00 8.421523198e+00 1.82 7.491629283e+00 7.491629283e+00 1.84 6.507571976e+00 6.507571976e+00 1.86 5.776956295e+00 5.776956295e+00 1.88 4.922703285e+00 4.922703285e+00 1.90 4.134705244e+00 4.134705244e+00 1.92 3.408324894e+00 3.408324894e+00 1.94 2.790045107e+00 2.790045107e+00 1.96 2.170282869e+00 2.170282869e+00 1.98 1.600420516e+00 1.600420516e+00 2.00 1.076972151e+00 1.076972151e+00 2.02 5.966948962e-01 5.966948962e-01 2.04 1.565709802e-01 1.565709802e-01 2.06 -2.462087538e-01 -2.462087538e-01 2.08 -6.142600200e-01 -6.142600200e-01 2.10 -8.699767594e-01 -8.699753307e-01 2.12 -1.137922545e+00 -1.137922545e+00 2.14 -1.424589279e+00 -1.424589279e+00 2.16 -1.684659155e+00 -1.684659155e+00 2.18 -1.920018780e+00 -1.920018780e+00 2.20 -2.132426960e+00 -2.132426960e+00 2.22 -2.323523610e+00 -2.323523610e+00 2.24 -2.393213830e+00 -2.393213830e+00 2.26 -2.553138500e+00 -2.553138500e+00 2.28 -2.695559834e+00 -2.695559834e+00 2.30 -2.821751341e+00 -2.821751341e+00 2.32 -2.932901054e+00 -2.932901054e+00 2.34 -3.030117317e+00 -3.030117317e+00 2.36 -3.114434159e+00 -3.114434159e+00 2.38 -3.186816284e+00 -3.186816284e+00 2.40 -3.248163718e+00 -3.248163718e+00 2.42 -3.299316122e+00 -3.299316122e+00 2.44 -3.241779398e+00 -3.241779398e+00 2.46 -3.281257943e+00 -3.281257943e+00 2.48 -3.312323869e+00 -3.312323869e+00 2.50 -3.335639204e+00 -3.335639204e+00 2.52 -3.261339402e+00 -3.261339402e+00 2.54 -3.276692187e+00 -3.276692187e+00 2.56 -3.285663646e+00 -3.285663646e+00 2.58 -3.288777053e+00 -3.288777053e+00 2.60 -3.286520323e+00 -3.286520323e+00 2.62 -3.279348302e+00 -3.279348302e+00 2.64 -3.267684908e+00 -3.267684908e+00 2.66 -3.251925129e+00 -3.251925129e+00 2.68 -3.232436896e+00 -3.232436896e+00 2.70 -3.209562831e+00 -3.209562831e+00 2.72 -3.183621881e+00 -3.183621881e+00 2.74 -3.129251023e+00 -3.129251023e+00 2.76 -3.099491466e+00 -3.099491466e+00 2.78 -3.067413179e+00 -3.067413179e+00 2.80 -3.033259305e+00 -3.033259305e+00 2.82 -2.997255780e+00 -2.997255780e+00 2.84 -2.959612444e+00 -2.959612444e+00 2.86 -2.920524083e+00 -2.920524083e+00 2.88 -2.880171399e+00 -2.880171399e+00 2.90 -2.838721923e+00 -2.838721923e+00 2.92 -2.796330868e+00 -2.796330868e+00 2.94 -2.753141927e+00 -2.753141927e+00 2.96 -2.709288023e+00 -2.709288023e+00 2.98 -2.664892014e+00 -2.664892014e+00 3.00 -2.620067342e+00 -2.620067342e+00 3.02 -2.574918658e+00 -2.574918658e+00 3.04 -2.529542392e+00 -2.529542392e+00 3.06 -2.484027299e+00 -2.484027299e+00 3.08 -2.438454961e+00 -2.438454961e+00 3.10 -2.392900266e+00 -2.392900266e+00 3.12 -2.347431850e+00 -2.347431850e+00 3.14 -2.302112516e+00 -2.302112516e+00 3.16 -2.224750539e+00 -2.224750539e+00 3.18 -2.181523706e+00 -2.181523706e+00 3.20 -2.138521388e+00 -2.138521388e+00 3.22 -2.095790786e+00 -2.095790786e+00 3.24 -2.053374795e+00 -2.053374795e+00 3.26 -2.011312290e+00 -2.011312290e+00 3.28 -1.969638400e+00 -1.969638400e+00 3.30 -1.835177751e+00 -1.835177751e+00 3.32 -1.798896323e+00 -1.798896323e+00 3.34 -1.762870276e+00 -1.762870276e+00 3.36 -1.727132638e+00 -1.727132638e+00 3.38 -1.691713332e+00 -1.691713332e+00 3.40 -1.656639384e+00 -1.656639384e+00 3.42 -1.621935117e+00 -1.621935117e+00 3.44 -1.587622334e+00 -1.587622334e+00 3.46 -1.553720491e+00 -1.553720491e+00 3.48 -1.520246858e+00 -1.520246858e+00 3.50 -1.487216668e+00 -1.487216668e+00 3.52 -1.454643264e+00 -1.454643264e+00 3.54 -1.422538227e+00 -1.422538227e+00 3.56 -1.390911504e+00 -1.390911504e+00 3.58 -1.359771527e+00 -1.359771527e+00 3.60 -1.329125321e+00 -1.329125321e+00 3.62 -1.298978607e+00 -1.298978607e+00 3.64 -1.269335900e+00 -1.269335900e+00 3.66 -1.240200600e+00 -1.240200600e+00 3.68 -1.211575077e+00 -1.211575077e+00 3.70 -1.183460752e+00 -1.183460752e+00 3.72 -1.155858167e+00 -1.155858167e+00 3.74 -1.128767062e+00 -1.128767062e+00 3.76 -1.102186434e+00 -1.102186434e+00 3.78 -1.076114602e+00 -1.076114602e+00 3.80 -1.050549266e+00 -1.050549266e+00 3.82 -1.025487554e+00 -1.025487554e+00 3.84 -1.000926080e+00 -1.000926080e+00 3.86 -9.239447546e-01 -9.239447546e-01 3.88 -9.024973714e-01 -9.024973714e-01 3.90 -8.814520443e-01 -8.814520443e-01 3.92 -8.608071583e-01 -8.608071583e-01 3.94 -8.405606531e-01 -8.405606531e-01 3.96 -8.207100607e-01 -8.207100607e-01 3.98 -8.012525418e-01 -8.012525418e-01 4.00 -7.821849186e-01 -7.821849186e-01 4.02 -7.635037060e-01 -7.635037060e-01 4.04 -7.452051414e-01 -7.452051414e-01 4.06 -7.272852114e-01 -7.272852114e-01 4.08 -7.097396775e-01 -7.097396775e-01 4.10 -6.925640999e-01 -6.925640999e-01 4.12 -6.757538599e-01 -6.757538599e-01 4.14 -6.593041804e-01 -6.593041804e-01 4.16 -6.432101452e-01 -6.432101452e-01 4.18 -6.274667174e-01 -6.274667174e-01 4.20 -6.120687554e-01 -6.120687554e-01 4.22 -5.970110293e-01 -5.970110293e-01 4.24 -5.822882347e-01 -5.822882347e-01 4.26 -5.678950066e-01 -5.678950066e-01 4.28 -5.538259316e-01 -5.538259316e-01 4.30 -5.400755596e-01 -5.400755596e-01 4.32 -5.266384142e-01 -5.266384142e-01 4.34 -5.135090033e-01 -5.135090033e-01 4.36 -5.006818272e-01 -5.006818272e-01 4.38 -4.881513879e-01 -4.881513879e-01 4.40 -4.759121964e-01 -4.759121964e-01 4.42 -4.639587800e-01 -4.639587800e-01 4.44 -4.522856887e-01 -4.522856887e-01 4.46 -4.408875015e-01 -4.408875015e-01 4.48 -4.297588315e-01 -4.297588315e-01 4.50 -4.188943311e-01 -4.188943311e-01 4.52 -4.082886966e-01 -4.082886966e-01 4.54 -3.979366721e-01 -3.979366721e-01 4.56 -3.878330535e-01 -3.878330535e-01 4.58 -3.779726919e-01 -3.779726919e-01 4.60 -3.683504962e-01 -3.683504962e-01 4.62 -3.589614363e-01 -3.589614363e-01 4.64 -3.498005453e-01 -3.498005453e-01 4.66 -3.408629214e-01 -3.408629214e-01 4.68 -3.321437301e-01 -3.321437301e-01 4.70 -3.236382057e-01 -3.236382057e-01 4.72 -3.153416528e-01 -3.153416528e-01 4.74 -3.072494472e-01 -3.072494472e-01 4.76 -2.993570370e-01 -2.993570370e-01 4.78 -2.916599438e-01 -2.916599438e-01 4.80 -2.841537625e-01 -2.841537625e-01 4.82 -2.768341627e-01 -2.768341627e-01 4.84 -2.696968885e-01 -2.696968885e-01 4.86 -2.627377588e-01 -2.627377588e-01 4.88 -2.559526674e-01 -2.559526674e-01 4.90 -2.493375830e-01 -2.493375830e-01 4.92 -2.428885490e-01 -2.428885490e-01 4.94 -2.366016835e-01 -2.366016835e-01 4.96 -2.304731785e-01 -2.304731785e-01 4.98 -2.244993000e-01 -2.244993000e-01 5.00 -2.186763872e-01 -2.186763872e-01 5.02 -2.130008522e-01 -2.130008522e-01 5.04 -2.074691791e-01 -2.074691791e-01 5.06 -2.020779236e-01 -2.020779236e-01 5.08 -1.968237123e-01 -1.968237123e-01 5.10 -1.917032417e-01 -1.917032417e-01 5.12 -1.867132775e-01 -1.867132775e-01 5.14 -1.818506539e-01 -1.818506539e-01 5.16 -1.771122728e-01 -1.771122728e-01 5.18 -1.724951025e-01 -1.724951025e-01 5.20 -1.679961772e-01 -1.679961772e-01 5.22 -1.636125958e-01 -1.636125958e-01 5.24 -1.593415212e-01 -1.593415212e-01 5.26 -1.551801789e-01 -1.551801789e-01 5.28 -1.511258566e-01 -1.511258566e-01 5.30 -1.471759027e-01 -1.471759027e-01 5.32 -1.433277255e-01 -1.433277255e-01 5.34 -1.395787922e-01 -1.395787922e-01 5.36 -1.359266278e-01 -1.359266278e-01 5.38 -1.323688142e-01 -1.323688142e-01 5.40 -1.289029890e-01 -1.289029890e-01 5.42 -1.255268447e-01 -1.255268447e-01 5.44 -1.222381275e-01 -1.222381275e-01 5.46 -9.436298240e-02 -9.436298240e-02 5.48 -9.196909804e-02 -9.196909804e-02 5.50 -8.963489912e-02 -8.963489912e-02 5.52 -8.735895418e-02 -8.735895418e-02 5.54 -8.513986300e-02 -8.513986300e-02 5.56 -8.297625613e-02 -8.297625613e-02 5.58 -8.086679438e-02 -8.086679438e-02 5.60 -7.881016828e-02 -7.881016828e-02 5.62 -7.680509757e-02 -7.680509757e-02 5.64 -7.485033070e-02 -7.485033070e-02 5.66 -7.294464429e-02 -7.294464429e-02 5.68 -7.108684265e-02 -7.108684265e-02 5.70 -6.927575723e-02 -6.927575723e-02 5.72 -6.751024612e-02 -6.751024612e-02 5.74 -6.578919358e-02 -6.578919358e-02 5.76 -6.411150950e-02 -6.411150950e-02 5.78 -6.247612890e-02 -6.247612890e-02 5.80 -6.088201147e-02 -6.088201147e-02 5.82 -5.932814106e-02 -5.932814106e-02 5.84 -5.781352518e-02 -5.781352518e-02 5.86 -5.633719456e-02 -5.633719456e-02 5.88 -5.489820265e-02 -5.489820265e-02 5.90 -5.349562515e-02 -5.349562515e-02 5.92 -5.212855958e-02 -5.212855958e-02 5.94 -5.079612478e-02 -5.079612478e-02 5.96 -4.949746048e-02 -4.949746048e-02 5.98 -4.823172689e-02 -4.823172689e-02 6.00 -4.699810420e-02 -4.699810420e-02