# 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 = Cr2FeMn # 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 2.385424965e+02 2.385424965e+02 1.10 2.198268968e+02 2.198268968e+02 1.12 2.023895586e+02 2.023895586e+02 1.14 1.862993425e+02 1.862993425e+02 1.16 1.716534299e+02 1.716534299e+02 1.18 1.581061015e+02 1.581061015e+02 1.20 1.459434515e+02 1.459434515e+02 1.22 1.344220000e+02 1.344220000e+02 1.24 1.237239714e+02 1.237239714e+02 1.26 1.140024437e+02 1.140024667e+02 1.28 1.049916973e+02 1.049916973e+02 1.30 9.667748383e+01 9.667748383e+01 1.32 8.888894042e+01 8.888894042e+01 1.34 8.191255727e+01 8.191255727e+01 1.36 7.524188761e+01 7.524188761e+01 1.38 6.909630941e+01 6.909630941e+01 1.40 6.339735016e+01 6.339735016e+01 1.42 5.812843989e+01 5.812843989e+01 1.44 5.346604762e+01 5.346604762e+01 1.46 4.909197975e+01 4.909197975e+01 1.48 4.488344889e+01 4.488344889e+01 1.50 4.099092859e+01 4.099092859e+01 1.52 3.746563341e+01 3.746563341e+01 1.54 3.427386874e+01 3.427386874e+01 1.56 3.116930984e+01 3.116930984e+01 1.58 2.832371348e+01 2.832371348e+01 1.60 2.566547765e+01 2.566547765e+01 1.62 2.320726562e+01 2.320726562e+01 1.64 2.093428208e+01 2.093428208e+01 1.66 1.890529812e+01 1.890529812e+01 1.68 1.702826282e+01 1.702826282e+01 1.70 1.521963288e+01 1.521963288e+01 1.72 1.354907119e+01 1.354907119e+01 1.74 1.208030680e+01 1.208030680e+01 1.76 1.064950924e+01 1.064950924e+01 1.78 9.329566980e+00 9.329566980e+00 1.80 8.112480029e+00 8.112480029e+00 1.82 7.088140044e+00 7.088140044e+00 1.84 6.046253455e+00 6.046253455e+00 1.86 5.233988385e+00 5.233988385e+00 1.88 4.339062938e+00 4.339062938e+00 1.90 3.516847150e+00 3.516847150e+00 1.92 2.762104770e+00 2.762104770e+00 1.94 2.107758363e+00 2.107758363e+00 1.96 1.470498948e+00 1.470498948e+00 1.98 8.874373394e-01 8.874373394e-01 2.00 3.546625585e-01 3.546625585e-01 2.02 -1.314583349e-01 -1.314583349e-01 2.04 -5.743009426e-01 -5.743009426e-01 2.06 -9.770025664e-01 -9.770025664e-01 2.08 -1.342479726e+00 -1.342479726e+00 2.10 -1.607387732e+00 -1.607388285e+00 2.12 -1.875613942e+00 -1.875613942e+00 2.14 -2.152607879e+00 -2.152607879e+00 2.16 -2.401535037e+00 -2.401535037e+00 2.18 -2.624473619e+00 -2.624473619e+00 2.20 -2.823357176e+00 -2.823357176e+00 2.22 -2.999984856e+00 -2.999984856e+00 2.24 -3.080434873e+00 -3.080434873e+00 2.26 -3.223103624e+00 -3.223103624e+00 2.28 -3.347778327e+00 -3.347778327e+00 2.30 -3.455839597e+00 -3.455839597e+00 2.32 -3.548572231e+00 -3.548572231e+00 2.34 -3.627171845e+00 -3.627171845e+00 2.36 -3.692751016e+00 -3.692751016e+00 2.38 -3.746344995e+00 -3.746344995e+00 2.40 -3.788917008e+00 -3.788917008e+00 2.42 -3.821363177e+00 -3.821363177e+00 2.44 -3.766184015e+00 -3.766184015e+00 2.46 -3.786188245e+00 -3.786188245e+00 2.48 -3.798030058e+00 -3.798030058e+00 2.50 -3.802404694e+00 -3.802404694e+00 2.52 -3.725522381e+00 -3.725522381e+00 2.54 -3.721832000e+00 -3.721832000e+00 2.56 -3.712148471e+00 -3.712148471e+00 2.58 -3.697012384e+00 -3.697012384e+00 2.60 -3.676925928e+00 -3.676925928e+00 2.62 -3.652355463e+00 -3.652355463e+00 2.64 -3.623733929e+00 -3.623733929e+00 2.66 -3.591463082e+00 -3.591463082e+00 2.68 -3.555915587e+00 -3.555915587e+00 2.70 -3.517436970e+00 -3.517436970e+00 2.72 -3.476347438e+00 -3.476347438e+00 2.74 -3.413838143e+00 -3.413838143e+00 2.76 -3.369567813e+00 -3.369567813e+00 2.78 -3.323439888e+00 -3.323439888e+00 2.80 -3.275693573e+00 -3.275693573e+00 2.82 -3.226549940e+00 -3.226549940e+00 2.84 -3.176213143e+00 -3.176213143e+00 2.86 -3.124871566e+00 -3.124871566e+00 2.88 -3.072698887e+00 -3.072698887e+00 2.90 -3.019855074e+00 -3.019855074e+00 2.92 -2.966487320e+00 -2.966487320e+00 2.94 -2.912730909e+00 -2.912730909e+00 2.96 -2.858710032e+00 -2.858710032e+00 2.98 -2.804538548e+00 -2.804538548e+00 3.00 -2.750320693e+00 -2.750320693e+00 3.02 -2.696151744e+00 -2.696151744e+00 3.04 -2.642118640e+00 -2.642118640e+00 3.06 -2.588300563e+00 -2.588300563e+00 3.08 -2.534769478e+00 -2.534769478e+00 3.10 -2.481590643e+00 -2.481590643e+00 3.12 -2.428823078e+00 -2.428823078e+00 3.14 -2.376520013e+00 -2.376520013e+00 3.16 -2.299324372e+00 -2.299324372e+00 3.18 -2.249448002e+00 -2.249448002e+00 3.20 -2.200092590e+00 -2.200092590e+00 3.22 -2.151295900e+00 -2.151295900e+00 3.24 -2.103091516e+00 -2.103091516e+00 3.26 -2.055509149e+00 -2.055509149e+00 3.28 -2.008574914e+00 -2.008574914e+00 3.30 -1.885501711e+00 -1.885501711e+00 3.32 -1.843867299e+00 -1.843867299e+00 3.34 -1.802739226e+00 -1.802739226e+00 3.36 -1.762141932e+00 -1.762141932e+00 3.38 -1.722096920e+00 -1.722096920e+00 3.40 -1.682622974e+00 -1.682622974e+00 3.42 -1.643736352e+00 -1.643736352e+00 3.44 -1.605450981e+00 -1.605450981e+00 3.46 -1.567778624e+00 -1.567778624e+00 3.48 -1.530729048e+00 -1.530729048e+00 3.50 -1.494310178e+00 -1.494310178e+00 3.52 -1.458528238e+00 -1.458528238e+00 3.54 -1.423387882e+00 -1.423387882e+00 3.56 -1.388892326e+00 -1.388892326e+00 3.58 -1.355043459e+00 -1.355043459e+00 3.60 -1.321841953e+00 -1.321841953e+00 3.62 -1.289287367e+00 -1.289287367e+00 3.64 -1.257378239e+00 -1.257378239e+00 3.66 -1.226112176e+00 -1.226112176e+00 3.68 -1.195485937e+00 -1.195485937e+00 3.70 -1.165495510e+00 -1.165495510e+00 3.72 -1.136136181e+00 -1.136136181e+00 3.74 -1.107402606e+00 -1.107402606e+00 3.76 -1.079288868e+00 -1.079288868e+00 3.78 -1.051788539e+00 -1.051788539e+00 3.80 -1.024894729e+00 -1.024894729e+00 3.82 -9.986001416e-01 -9.986001416e-01 3.84 -9.728971169e-01 -9.728971169e-01 3.86 -9.082657360e-01 -9.082657360e-01 3.88 -8.854530155e-01 -8.854530155e-01 3.90 -8.631315073e-01 -8.631315073e-01 3.92 -8.412957797e-01 -8.412957797e-01 3.94 -8.199400847e-01 -8.199400847e-01 3.96 -7.990583932e-01 -7.990583932e-01 3.98 -7.786444278e-01 -7.786444278e-01 4.00 -7.586916928e-01 -7.586916928e-01 4.02 -7.391935031e-01 -7.391935031e-01 4.04 -7.201430099e-01 -7.201430099e-01 4.06 -7.015332251e-01 -7.015332251e-01 4.08 -6.833570437e-01 -6.833570437e-01 4.10 -6.656072649e-01 -6.656072649e-01 4.12 -6.482766112e-01 -6.482766112e-01 4.14 -6.313577462e-01 -6.313577462e-01 4.16 -6.148432908e-01 -6.148432908e-01 4.18 -5.987258387e-01 -5.987258387e-01 4.20 -5.829979702e-01 -5.829979702e-01 4.22 -5.676522649e-01 -5.676522649e-01 4.24 -5.526813133e-01 -5.526813133e-01 4.26 -5.380777278e-01 -5.380777278e-01 4.28 -5.238341526e-01 -5.238341526e-01 4.30 -5.099432725e-01 -5.099432725e-01 4.32 -4.963978207e-01 -4.963978207e-01 4.34 -4.831905871e-01 -4.831905871e-01 4.36 -4.703144242e-01 -4.703144242e-01 4.38 -4.577622535e-01 -4.577622535e-01 4.40 -4.455270709e-01 -4.455270709e-01 4.42 -4.336019516e-01 -4.336019516e-01 4.44 -4.219800546e-01 -4.219800546e-01 4.46 -4.106546262e-01 -4.106546262e-01 4.48 -3.996190036e-01 -3.996190036e-01 4.50 -3.888666182e-01 -3.888666182e-01 4.52 -3.783909975e-01 -3.783909975e-01 4.54 -3.681857679e-01 -3.681857679e-01 4.56 -3.582446565e-01 -3.582446565e-01 4.58 -3.485614924e-01 -3.485614924e-01 4.60 -3.391302083e-01 -3.391302083e-01 4.62 -3.299448412e-01 -3.299448412e-01 4.64 -3.209995334e-01 -3.209995334e-01 4.66 -3.122885329e-01 -3.122885329e-01 4.68 -3.038061941e-01 -3.038061941e-01 4.70 -2.955469771e-01 -2.955469771e-01 4.72 -2.875054486e-01 -2.875054486e-01 4.74 -2.796762811e-01 -2.796762811e-01 4.76 -2.720542527e-01 -2.720542527e-01 4.78 -2.646342466e-01 -2.646342466e-01 4.80 -2.574112505e-01 -2.574112505e-01 4.82 -2.503803560e-01 -2.503803560e-01 4.84 -2.435367572e-01 -2.435367572e-01 4.86 -2.368757507e-01 -2.368757507e-01 4.88 -2.303927338e-01 -2.303927338e-01 4.90 -2.240832036e-01 -2.240832036e-01 4.92 -2.179427562e-01 -2.179427562e-01 4.94 -2.119670850e-01 -2.119670850e-01 4.96 -2.061519797e-01 -2.061519797e-01 4.98 -2.004933249e-01 -2.004933249e-01 5.00 -1.949870989e-01 -1.949870989e-01 5.02 -1.896293721e-01 -1.896293721e-01 5.04 -1.844163055e-01 -1.844163055e-01 5.06 -1.793441497e-01 -1.793441497e-01 5.08 -1.744092430e-01 -1.744092430e-01 5.10 -1.696080100e-01 -1.696080100e-01 5.12 -1.649369602e-01 -1.649369602e-01 5.14 -1.603926864e-01 -1.603926864e-01 5.16 -1.559718635e-01 -1.559718635e-01 5.18 -1.516712463e-01 -1.516712463e-01 5.20 -1.474876686e-01 -1.474876686e-01 5.22 -1.434180416e-01 -1.434180416e-01 5.24 -1.394593519e-01 -1.394593519e-01 5.26 -1.356086608e-01 -1.356086608e-01 5.28 -1.318631019e-01 -1.318631019e-01 5.30 -1.282198804e-01 -1.282198804e-01 5.32 -1.246762711e-01 -1.246762711e-01 5.34 -1.212296170e-01 -1.212296170e-01 5.36 -1.178773282e-01 -1.178773282e-01 5.38 -1.146168801e-01 -1.146168801e-01 5.40 -1.114458119e-01 -1.114458119e-01 5.42 -1.083617257e-01 -1.083617257e-01 5.44 -1.053622846e-01 -1.053622846e-01 5.46 -8.298567376e-02 -8.298567376e-02 5.48 -8.075671351e-02 -8.075671351e-02 5.50 -7.858681556e-02 -7.858681556e-02 5.52 -7.647445888e-02 -7.647445888e-02 5.54 -7.441815916e-02 -7.441815916e-02 5.56 -7.241646810e-02 -7.241646810e-02 5.58 -7.046797265e-02 -7.046797265e-02 5.60 -6.857129426e-02 -6.857129426e-02 5.62 -6.672508820e-02 -6.672508820e-02 5.64 -6.492804277e-02 -6.492804277e-02 5.66 -6.317887866e-02 -6.317887866e-02 5.68 -6.147634821e-02 -6.147634821e-02 5.70 -5.981923472e-02 -5.981923472e-02 5.72 -5.820635178e-02 -5.820635178e-02 5.74 -5.663654260e-02 -5.663654260e-02 5.76 -5.510867932e-02 -5.510867932e-02 5.78 -5.362166240e-02 -5.362166240e-02 5.80 -5.217441996e-02 -5.217441996e-02 5.82 -5.076590712e-02 -5.076590712e-02 5.84 -4.939510544e-02 -4.939510544e-02 5.86 -4.806102226e-02 -4.806102226e-02 5.88 -4.676269013e-02 -4.676269013e-02 5.90 -4.549916619e-02 -4.549916619e-02 5.92 -4.426953164e-02 -4.426953164e-02 5.94 -4.307289113e-02 -4.307289113e-02 5.96 -4.190837222e-02 -4.190837222e-02 5.98 -4.077512486e-02 -4.077512486e-02 6.00 -3.967232080e-02 -3.967232080e-02