# 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 = AlCrMn2 # 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 2.231040085e+02 2.231040085e+02 1.10 2.060863079e+02 2.060863079e+02 1.12 1.901477089e+02 1.901477089e+02 1.14 1.753943555e+02 1.753943555e+02 1.16 1.619912202e+02 1.619912202e+02 1.18 1.495677468e+02 1.495677468e+02 1.20 1.384832102e+02 1.384832102e+02 1.22 1.278847542e+02 1.278847542e+02 1.24 1.179991485e+02 1.179991485e+02 1.26 1.090453074e+02 1.090452443e+02 1.28 1.007207912e+02 1.007207912e+02 1.30 9.304330155e+01 9.304330155e+01 1.32 8.579574293e+01 8.579574293e+01 1.34 7.935772663e+01 7.935772663e+01 1.36 7.312466086e+01 7.312466086e+01 1.38 6.737986099e+01 6.737986099e+01 1.40 6.203621359e+01 6.203621359e+01 1.42 5.708697985e+01 5.708697985e+01 1.44 5.275417728e+01 5.275417728e+01 1.46 4.868443804e+01 4.868443804e+01 1.48 4.469909965e+01 4.469909965e+01 1.50 4.100545060e+01 4.100545060e+01 1.52 3.767485828e+01 3.767485828e+01 1.54 3.466738641e+01 3.466738641e+01 1.56 3.169726248e+01 3.169726248e+01 1.58 2.897784560e+01 2.897784560e+01 1.60 2.642181896e+01 2.642181896e+01 1.62 2.405213709e+01 2.405213709e+01 1.64 2.185525069e+01 2.185525069e+01 1.66 1.990856513e+01 1.990856513e+01 1.68 1.809927547e+01 1.809927547e+01 1.70 1.633367883e+01 1.633367883e+01 1.72 1.469788663e+01 1.469788663e+01 1.74 1.328060061e+01 1.328060061e+01 1.76 1.186880620e+01 1.186880620e+01 1.78 1.056189059e+01 1.056189059e+01 1.80 9.352464335e+00 9.352464335e+00 1.82 8.354044052e+00 8.354044052e+00 1.84 7.309147345e+00 7.309147345e+00 1.86 6.519346653e+00 6.519346653e+00 1.88 5.612527753e+00 5.612527753e+00 1.90 4.775593601e+00 4.775593601e+00 1.92 4.003657585e+00 4.003657585e+00 1.94 3.342242999e+00 3.342242999e+00 1.96 2.683053668e+00 2.683053668e+00 1.98 2.076494331e+00 2.076494331e+00 2.00 1.518892676e+00 1.518892676e+00 2.02 1.006832340e+00 1.006832340e+00 2.04 5.371340532e-01 5.371340532e-01 2.06 1.068382788e-01 1.068382788e-01 2.08 -2.868107539e-01 -2.868107539e-01 2.10 -5.674603734e-01 -5.674588608e-01 2.12 -8.581106265e-01 -8.581106265e-01 2.14 -1.165269913e+00 -1.165269913e+00 2.16 -1.444389949e+00 -1.444389949e+00 2.18 -1.697455622e+00 -1.697455622e+00 2.20 -1.926317359e+00 -1.926317359e+00 2.22 -2.132700493e+00 -2.132700493e+00 2.24 -2.218045885e+00 -2.218045885e+00 2.26 -2.391075202e+00 -2.391075202e+00 2.28 -2.545661236e+00 -2.545661236e+00 2.30 -2.683141978e+00 -2.683141978e+00 2.32 -2.804765599e+00 -2.804765599e+00 2.34 -2.911696526e+00 -2.911696526e+00 2.36 -3.005021098e+00 -3.005021098e+00 2.38 -3.085752810e+00 -3.085752810e+00 2.40 -3.154837197e+00 -3.154837197e+00 2.42 -3.213156371e+00 -3.213156371e+00 2.44 -3.164660891e+00 -3.164660891e+00 2.46 -3.210176276e+00 -3.210176276e+00 2.48 -3.246823496e+00 -3.246823496e+00 2.50 -3.275296676e+00 -3.275296676e+00 2.52 -3.207046952e+00 -3.207046952e+00 2.54 -3.226735403e+00 -3.226735403e+00 2.56 -3.239705550e+00 -3.239705550e+00 2.58 -3.246504839e+00 -3.246504839e+00 2.60 -3.247643703e+00 -3.247643703e+00 2.62 -3.243597966e+00 -3.243597966e+00 2.64 -3.234811089e+00 -3.234811089e+00 2.66 -3.221696263e+00 -3.221696263e+00 2.68 -3.204638373e+00 -3.204638373e+00 2.70 -3.183995824e+00 -3.183995824e+00 2.72 -3.160102261e+00 -3.160102261e+00 2.74 -3.107975295e+00 -3.107975295e+00 2.76 -3.079918187e+00 -3.079918187e+00 2.78 -3.049397147e+00 -3.049397147e+00 2.80 -3.016666325e+00 -3.016666325e+00 2.82 -2.981961893e+00 -2.981961893e+00 2.84 -2.945503211e+00 -2.945503211e+00 2.86 -2.907493915e+00 -2.907493915e+00 2.88 -2.868122928e+00 -2.868122928e+00 2.90 -2.827565423e+00 -2.827565423e+00 2.92 -2.785983710e+00 -2.785983710e+00 2.94 -2.743528073e+00 -2.743528073e+00 2.96 -2.700337552e+00 -2.700337552e+00 2.98 -2.656540681e+00 -2.656540681e+00 3.00 -2.612256171e+00 -2.612256171e+00 3.02 -2.567593555e+00 -2.567593555e+00 3.04 -2.522653792e+00 -2.522653792e+00 3.06 -2.477529830e+00 -2.477529830e+00 3.08 -2.432307137e+00 -2.432307137e+00 3.10 -2.387064198e+00 -2.387064198e+00 3.12 -2.341872977e+00 -2.341872977e+00 3.14 -2.296799355e+00 -2.296799355e+00 3.16 -2.220442389e+00 -2.220442389e+00 3.18 -2.177379595e+00 -2.177379595e+00 3.20 -2.134518467e+00 -2.134518467e+00 3.22 -2.091908441e+00 -2.091908441e+00 3.24 -2.049594470e+00 -2.049594470e+00 3.26 -2.007617325e+00 -2.007617325e+00 3.28 -1.966013879e+00 -1.966013879e+00 3.30 -1.832925616e+00 -1.832925616e+00 3.32 -1.796640347e+00 -1.796640347e+00 3.34 -1.760601530e+00 -1.760601530e+00 3.36 -1.724843403e+00 -1.724843403e+00 3.38 -1.689396990e+00 -1.689396990e+00 3.40 -1.654290322e+00 -1.654290322e+00 3.42 -1.619548637e+00 -1.619548637e+00 3.44 -1.585194570e+00 -1.585194570e+00 3.46 -1.551248329e+00 -1.551248329e+00 3.48 -1.517727866e+00 -1.517727866e+00 3.50 -1.484649029e+00 -1.484649029e+00 3.52 -1.452025716e+00 -1.452025716e+00 3.54 -1.419870005e+00 -1.419870005e+00 3.56 -1.388192290e+00 -1.388192290e+00 3.58 -1.357001402e+00 -1.357001402e+00 3.60 -1.326304719e+00 -1.326304719e+00 3.62 -1.296108277e+00 -1.296108277e+00 3.64 -1.266416868e+00 -1.266416868e+00 3.66 -1.237234135e+00 -1.237234135e+00 3.68 -1.208562659e+00 -1.208562659e+00 3.70 -1.180404042e+00 -1.180404042e+00 3.72 -1.152758986e+00 -1.152758986e+00 3.74 -1.125627361e+00 -1.125627361e+00 3.76 -1.099008277e+00 -1.099008277e+00 3.78 -1.072900143e+00 -1.072900143e+00 3.80 -1.047300732e+00 -1.047300732e+00 3.82 -1.022207228e+00 -1.022207228e+00 3.84 -9.976162879e-01 -9.976162879e-01 3.86 -9.213600292e-01 -9.213600292e-01 3.88 -8.998635318e-01 -8.998635318e-01 3.90 -8.787721409e-01 -8.787721409e-01 3.92 -8.580842251e-01 -8.580842251e-01 3.94 -8.377976988e-01 -8.377976988e-01 3.96 -8.179100608e-01 -8.179100608e-01 3.98 -7.984184312e-01 -7.984184312e-01 4.00 -7.793195852e-01 -7.793195852e-01 4.02 -7.606099859e-01 -7.606099859e-01 4.04 -7.422858132e-01 -7.422858132e-01 4.06 -7.243429926e-01 -7.243429926e-01 4.08 -7.067772210e-01 -7.067772210e-01 4.10 -6.895839909e-01 -6.895839909e-01 4.12 -6.727586133e-01 -6.727586133e-01 4.14 -6.562962391e-01 -6.562962391e-01 4.16 -6.401918784e-01 -6.401918784e-01 4.18 -6.244404191e-01 -6.244404191e-01 4.20 -6.090366442e-01 -6.090366442e-01 4.22 -5.939752471e-01 -5.939752471e-01 4.24 -5.792508470e-01 -5.792508470e-01 4.26 -5.648580023e-01 -5.648580023e-01 4.28 -5.507912232e-01 -5.507912232e-01 4.30 -5.370449836e-01 -5.370449836e-01 4.32 -5.236137320e-01 -5.236137320e-01 4.34 -5.104919015e-01 -5.104919015e-01 4.36 -4.976739191e-01 -4.976739191e-01 4.38 -4.851542141e-01 -4.851542141e-01 4.40 -4.729272261e-01 -4.729272261e-01 4.42 -4.609874125e-01 -4.609874125e-01 4.44 -4.493292545e-01 -4.493292545e-01 4.46 -4.379472637e-01 -4.379472637e-01 4.48 -4.268359874e-01 -4.268359874e-01 4.50 -4.159900139e-01 -4.159900139e-01 4.52 -4.054039766e-01 -4.054039766e-01 4.54 -3.950725587e-01 -3.950725587e-01 4.56 -3.849904967e-01 -3.849904967e-01 4.58 -3.751525838e-01 -3.751525838e-01 4.60 -3.655536729e-01 -3.655536729e-01 4.62 -3.561886796e-01 -3.561886796e-01 4.64 -3.470525840e-01 -3.470525840e-01 4.66 -3.381404335e-01 -3.381404335e-01 4.68 -3.294473442e-01 -3.294473442e-01 4.70 -3.209685027e-01 -3.209685027e-01 4.72 -3.126991674e-01 -3.126991674e-01 4.74 -3.046346698e-01 -3.046346698e-01 4.76 -2.967704151e-01 -2.967704151e-01 4.78 -2.891018836e-01 -2.891018836e-01 4.80 -2.816246307e-01 -2.816246307e-01 4.82 -2.743342877e-01 -2.743342877e-01 4.84 -2.672265620e-01 -2.672265620e-01 4.86 -2.602972374e-01 -2.602972374e-01 4.88 -2.535421738e-01 -2.535421738e-01 4.90 -2.469573077e-01 -2.469573077e-01 4.92 -2.405386516e-01 -2.405386516e-01 4.94 -2.342822937e-01 -2.342822937e-01 4.96 -2.281843979e-01 -2.281843979e-01 4.98 -2.222412031e-01 -2.222412031e-01 5.00 -2.164490228e-01 -2.164490228e-01 5.02 -2.108042443e-01 -2.108042443e-01 5.04 -2.053033284e-01 -2.053033284e-01 5.06 -1.999428086e-01 -1.999428086e-01 5.08 -1.947192901e-01 -1.947192901e-01 5.10 -1.896294493e-01 -1.896294493e-01 5.12 -1.846700331e-01 -1.846700331e-01 5.14 -1.798378574e-01 -1.798378574e-01 5.16 -1.751298070e-01 -1.751298070e-01 5.18 -1.705428340e-01 -1.705428340e-01 5.20 -1.660739574e-01 -1.660739574e-01 5.22 -1.617202618e-01 -1.617202618e-01 5.24 -1.574788964e-01 -1.574788964e-01 5.26 -1.533470741e-01 -1.533470741e-01 5.28 -1.493220706e-01 -1.493220706e-01 5.30 -1.454012230e-01 -1.454012230e-01 5.32 -1.415819293e-01 -1.415819293e-01 5.34 -1.378616468e-01 -1.378616468e-01 5.36 -1.342378915e-01 -1.342378915e-01 5.38 -1.307082368e-01 -1.307082368e-01 5.40 -1.272703126e-01 -1.272703126e-01 5.42 -1.239218040e-01 -1.239218040e-01 5.44 -1.206604506e-01 -1.206604506e-01 5.46 -9.341125965e-02 -9.341125965e-02 5.48 -9.103228474e-02 -9.103228474e-02 5.50 -8.871289018e-02 -8.871289018e-02 5.52 -8.645163932e-02 -8.645163932e-02 5.54 -8.424712712e-02 -8.424712712e-02 5.56 -8.209797962e-02 -8.209797962e-02 5.58 -8.000285343e-02 -8.000285343e-02 5.60 -7.796043520e-02 -7.796043520e-02 5.62 -7.596944106e-02 -7.596944106e-02 5.64 -7.402861615e-02 -7.402861615e-02 5.66 -7.213673403e-02 -7.213673403e-02 5.68 -7.029259621e-02 -7.029259621e-02 5.70 -6.849503157e-02 -6.849503157e-02 5.72 -6.674289590e-02 -6.674289590e-02 5.74 -6.503507135e-02 -6.503507135e-02 5.76 -6.337046593e-02 -6.337046593e-02 5.78 -6.174801299e-02 -6.174801299e-02 5.80 -6.016667075e-02 -6.016667075e-02 5.82 -5.862542175e-02 -5.862542175e-02 5.84 -5.712327240e-02 -5.712327240e-02 5.86 -5.565925248e-02 -5.565925248e-02 5.88 -5.423241467e-02 -5.423241467e-02 5.90 -5.284183404e-02 -5.284183404e-02 5.92 -5.148660762e-02 -5.148660762e-02 5.94 -5.016585393e-02 -5.016585393e-02 5.96 -4.887871249e-02 -4.887871249e-02 5.98 -4.762434343e-02 -4.762434343e-02 6.00 -4.640192699e-02 -4.640192699e-02