# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Mn # implementation = 2025--Sharifi-H--Cr-Ni-Mn--LAMMPS--ipr1 # composition = CrMn2Ni # 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 1.047824196e+03 1.047824196e+03 1.00 9.594414363e+02 9.594414363e+02 1.02 8.730786472e+02 8.730786472e+02 1.04 7.918977503e+02 7.918977503e+02 1.06 7.170352690e+02 7.170352690e+02 1.08 6.484818126e+02 6.484818126e+02 1.10 5.860371060e+02 5.860371060e+02 1.12 5.293821229e+02 5.293821229e+02 1.14 4.781308225e+02 4.781308225e+02 1.16 4.318660335e+02 4.318660335e+02 1.18 3.901637865e+02 3.901637865e+02 1.20 3.526093515e+02 3.526093515e+02 1.22 3.188073390e+02 3.188073390e+02 1.24 2.883876063e+02 2.883876063e+02 1.26 2.610082503e+02 2.610082503e+02 1.28 2.363566043e+02 2.363566043e+02 1.30 2.141489167e+02 2.141489167e+02 1.32 1.941285431e+02 1.941285431e+02 1.34 1.765151968e+02 1.765151968e+02 1.36 1.614679429e+02 1.614679429e+02 1.38 1.481099914e+02 1.481099914e+02 1.40 1.359141863e+02 1.359141863e+02 1.42 1.245938348e+02 1.245938348e+02 1.44 1.140043269e+02 1.140043269e+02 1.46 1.040798739e+02 1.040798739e+02 1.48 9.479412251e+01 9.479412251e+01 1.50 8.613670360e+01 8.613670360e+01 1.52 7.810016928e+01 7.810016928e+01 1.54 7.067349915e+01 7.067349915e+01 1.56 6.383958917e+01 6.383958917e+01 1.58 5.757503293e+01 5.757503293e+01 1.60 5.185108098e+01 5.185108098e+01 1.62 4.663508261e+01 4.663508261e+01 1.64 4.189201286e+01 4.189201286e+01 1.66 3.758586493e+01 3.758586493e+01 1.68 3.368080625e+01 3.368080625e+01 1.70 3.014206757e+01 3.014206757e+01 1.72 2.693657636e+01 2.693657636e+01 1.74 2.403336609e+01 2.403336609e+01 1.76 2.140380416e+01 2.140380416e+01 1.78 1.902170050e+01 1.902170050e+01 1.80 1.686327552e+01 1.686327552e+01 1.82 1.490703862e+01 1.490703862e+01 1.84 1.313364656e+01 1.313364656e+01 1.86 1.152574112e+01 1.152574112e+01 1.88 1.006777449e+01 1.006777449e+01 1.90 8.745810897e+00 8.745810897e+00 1.92 7.547305415e+00 7.547305415e+00 1.94 6.460941700e+00 6.460941700e+00 1.96 5.476501775e+00 5.476501775e+00 1.98 4.584749221e+00 4.584749221e+00 2.00 3.777308668e+00 3.777308668e+00 2.02 3.046568536e+00 3.046568536e+00 2.04 2.385613602e+00 2.385613602e+00 2.06 1.788163882e+00 1.788163882e+00 2.08 1.248513303e+00 1.248513303e+00 2.10 7.614739923e-01 7.614739923e-01 2.12 3.223321736e-01 3.223321736e-01 2.14 -7.319623824e-02 -7.319623824e-02 2.16 -4.290107388e-01 -4.290107388e-01 2.18 -7.486729988e-01 -7.486729988e-01 2.20 -1.035422467e+00 -1.035422467e+00 2.22 -1.292202687e+00 -1.292202687e+00 2.24 -1.521689517e+00 -1.521689517e+00 2.26 -1.726316516e+00 -1.726316516e+00 2.28 -1.908297813e+00 -1.908297813e+00 2.30 -2.069648720e+00 -2.069648720e+00 2.32 -2.212204304e+00 -2.212204304e+00 2.34 -2.337636140e+00 -2.337636140e+00 2.36 -2.447467439e+00 -2.447467439e+00 2.38 -2.543086688e+00 -2.543086688e+00 2.40 -2.625759991e+00 -2.625759991e+00 2.42 -2.696642209e+00 -2.696642209e+00 2.44 -2.756787034e+00 -2.756787034e+00 2.46 -2.807156196e+00 -2.807156196e+00 2.48 -2.848629005e+00 -2.848629005e+00 2.50 -2.882009288e+00 -2.882009288e+00 2.52 -2.908030852e+00 -2.908030852e+00 2.54 -2.927363592e+00 -2.927363592e+00 2.56 -2.940611530e+00 -2.940611530e+00 2.58 -2.948285918e+00 -2.948285918e+00 2.60 -2.950844255e+00 -2.950844255e+00 2.62 -2.948709476e+00 -2.948709476e+00 2.64 -2.942272376e+00 -2.942272376e+00 2.66 -2.931893740e+00 -2.931893740e+00 2.68 -2.917906242e+00 -2.917906242e+00 2.70 -2.900616129e+00 -2.900616129e+00 2.72 -2.880304745e+00 -2.880304745e+00 2.74 -2.857229926e+00 -2.857229926e+00 2.76 -2.831627321e+00 -2.831627321e+00 2.78 -2.803711678e+00 -2.803711678e+00 2.80 -2.773678133e+00 -2.773678133e+00 2.82 -2.741703517e+00 -2.741703517e+00 2.84 -2.707947695e+00 -2.707947695e+00 2.86 -2.672554919e+00 -2.672554919e+00 2.88 -2.635655164e+00 -2.635655164e+00 2.90 -2.597365441e+00 -2.597365441e+00 2.92 -2.557791043e+00 -2.557791043e+00 2.94 -2.517026742e+00 -2.517026742e+00 2.96 -2.475157952e+00 -2.475157952e+00 2.98 -2.432261912e+00 -2.432261912e+00 3.00 -2.388408963e+00 -2.388408963e+00 3.02 -2.343663913e+00 -2.343663913e+00 3.04 -2.298086892e+00 -2.298086892e+00 3.06 -2.251737453e+00 -2.251737453e+00 3.08 -2.204680806e+00 -2.204680806e+00 3.10 -2.156979291e+00 -2.156979291e+00 3.12 -2.108706166e+00 -2.108706166e+00 3.14 -2.059946954e+00 -2.059946954e+00 3.16 -2.010803669e+00 -2.010803669e+00 3.18 -1.961398851e+00 -1.961398851e+00 3.20 -1.911878746e+00 -1.911878746e+00 3.22 -1.862414912e+00 -1.862414912e+00 3.24 -1.813203437e+00 -1.813203437e+00 3.26 -1.764461079e+00 -1.764461079e+00 3.28 -1.716417915e+00 -1.716417915e+00 3.30 -1.669306620e+00 -1.669306620e+00 3.32 -1.623349161e+00 -1.623349161e+00 3.34 -1.578742374e+00 -1.578742374e+00 3.36 -1.535644398e+00 -1.535644398e+00 3.38 -1.494164040e+00 -1.494164040e+00 3.40 -1.454354778e+00 -1.454354778e+00 3.42 -1.416214362e+00 -1.416214362e+00 3.44 -1.379689946e+00 -1.379689946e+00 3.46 -1.344687731e+00 -1.344687731e+00 3.48 -1.311085471e+00 -1.311085471e+00 3.50 -1.278745847e+00 -1.278745847e+00 3.52 -1.247528955e+00 -1.247528955e+00 3.54 -1.217302517e+00 -1.217302517e+00 3.56 -1.187949068e+00 -1.187949068e+00 3.58 -1.159369947e+00 -1.159369947e+00 3.60 -1.131486417e+00 -1.131486417e+00 3.62 -1.104238543e+00 -1.104238543e+00 3.64 -1.077582615e+00 -1.077582615e+00 3.66 -1.051487868e+00 -1.051487868e+00 3.68 -1.025933130e+00 -1.025933130e+00 3.70 -1.000903824e+00 -1.000903824e+00 3.72 -9.763895597e-01 -9.763895597e-01 3.74 -9.523823605e-01 -9.523823605e-01 3.76 -9.288754825e-01 -9.288754825e-01 3.78 -9.058626884e-01 -9.058626884e-01 3.80 -8.833378496e-01 -8.833378496e-01 3.82 -8.612947559e-01 -8.612947559e-01 3.84 -8.397270431e-01 -8.397270431e-01 3.86 -8.186281808e-01 -8.186281808e-01 3.88 -7.979914855e-01 -7.979914855e-01 3.90 -7.778101427e-01 -7.778101427e-01 3.92 -7.580772289e-01 -7.580772289e-01 3.94 -7.387857329e-01 -7.387857329e-01 3.96 -7.199285738e-01 -7.199285738e-01 3.98 -7.014986179e-01 -7.014986179e-01 4.00 -6.834886926e-01 -6.834886926e-01 4.02 -6.658916006e-01 -6.658916006e-01 4.04 -6.487001318e-01 -6.487001318e-01 4.06 -6.319070742e-01 -6.319070742e-01 4.08 -6.155052246e-01 -6.155052246e-01 4.10 -5.994873976e-01 -5.994873976e-01 4.12 -5.838464345e-01 -5.838464345e-01 4.14 -5.685752110e-01 -5.685752110e-01 4.16 -5.536666444e-01 -5.536666444e-01 4.18 -5.391137003e-01 -5.391137003e-01 4.20 -5.249093981e-01 -5.249093981e-01 4.22 -5.110468171e-01 -5.110468171e-01 4.24 -4.975191005e-01 -4.975191005e-01 4.26 -4.842912163e-01 -4.842912163e-01 4.28 -4.708057924e-01 -4.708057924e-01 4.30 -4.556696032e-01 -4.556696032e-01 4.32 -4.387763117e-01 -4.387763117e-01 4.34 -4.258578648e-01 -4.258578648e-01 4.36 -4.146368174e-01 -4.146368174e-01 4.38 -4.036837992e-01 -4.036837992e-01 4.40 -3.929935393e-01 -3.929935393e-01 4.42 -3.825608183e-01 -3.825608183e-01 4.44 -3.723804703e-01 -3.723804703e-01 4.46 -3.624473857e-01 -3.624473857e-01 4.48 -3.527565131e-01 -3.527565131e-01 4.50 -3.433028614e-01 -3.433028614e-01 4.52 -3.340815012e-01 -3.340815012e-01 4.54 -3.250875667e-01 -3.250875667e-01 4.56 -3.163162568e-01 -3.163162568e-01 4.58 -3.077628360e-01 -3.077628360e-01 4.60 -2.994226361e-01 -2.994226361e-01 4.62 -2.912910561e-01 -2.912910561e-01 4.64 -2.833635639e-01 -2.833635639e-01 4.66 -2.756356960e-01 -2.756356960e-01 4.68 -2.681030587e-01 -2.681030587e-01 4.70 -2.607613278e-01 -2.607613278e-01 4.72 -2.536062492e-01 -2.536062492e-01 4.74 -2.466336392e-01 -2.466336392e-01 4.76 -2.398393841e-01 -2.398393841e-01 4.78 -2.332194406e-01 -2.332194406e-01 4.80 -2.267698352e-01 -2.267698352e-01 4.82 -2.204866646e-01 -2.204866646e-01 4.84 -2.143660952e-01 -2.143660952e-01 4.86 -2.084043624e-01 -2.084043624e-01 4.88 -2.025977710e-01 -2.025977710e-01 4.90 -1.969426941e-01 -1.969426941e-01 4.92 -1.908240804e-01 -1.908240804e-01 4.94 -1.766767225e-01 -1.766767225e-01 4.96 -1.370472894e-01 -1.370472894e-01 4.98 -6.132470810e-02 -6.132470810e-02 5.00 -2.977509051e-24 -2.978565809e-24 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00