# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Olsson-P-et-al--Fe-Cr-Ni # implementation = 2017--Bonny-G--Fe-Cr-Ni--LAMMPS--ipr1 # composition = CrFe2Ni # 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 2024-01-04 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 9.914874921e+02 9.914874921e+02 0.98 9.168429773e+02 9.168429773e+02 1.00 8.488111374e+02 8.488111374e+02 1.02 7.866990536e+02 7.866990536e+02 1.04 7.299298847e+02 7.299298847e+02 1.06 6.780178172e+02 6.780178172e+02 1.08 6.304886553e+02 6.304886553e+02 1.10 5.868505281e+02 5.868505281e+02 1.12 5.466166562e+02 5.466166562e+02 1.14 5.093299773e+02 5.093299773e+02 1.16 4.746798220e+02 4.746798220e+02 1.18 4.424162774e+02 4.424162774e+02 1.20 4.123075622e+02 4.123075622e+02 1.22 3.841458855e+02 3.841458855e+02 1.24 3.577795249e+02 3.577795249e+02 1.26 3.330457510e+02 3.330457510e+02 1.28 3.098345423e+02 3.098345423e+02 1.30 2.880538831e+02 2.880538831e+02 1.32 2.676142535e+02 2.676142535e+02 1.34 2.484493114e+02 2.484493114e+02 1.36 2.304809680e+02 2.304809680e+02 1.38 2.136277175e+02 2.136277175e+02 1.40 1.978066348e+02 1.978066348e+02 1.42 1.829382261e+02 1.829382261e+02 1.44 1.689643473e+02 1.689643473e+02 1.46 1.558403811e+02 1.558403811e+02 1.48 1.435201588e+02 1.435201588e+02 1.50 1.319610752e+02 1.319610752e+02 1.52 1.211245104e+02 1.211245104e+02 1.54 1.109708196e+02 1.109708196e+02 1.56 1.014618588e+02 1.014618588e+02 1.58 9.256201888e+01 9.256201888e+01 1.60 8.423724148e+01 8.423724148e+01 1.62 7.645559517e+01 7.645559517e+01 1.64 6.919118775e+01 6.919118775e+01 1.66 6.241588295e+01 6.241588295e+01 1.68 5.610281662e+01 5.610281662e+01 1.70 5.022485181e+01 5.022485181e+01 1.72 4.474999756e+01 4.474999756e+01 1.74 3.965613535e+01 3.965613535e+01 1.76 3.491639199e+01 3.491639199e+01 1.78 3.053259238e+01 3.053259238e+01 1.80 2.651092644e+01 2.651092644e+01 1.82 2.283627128e+01 2.283627128e+01 1.84 1.950550465e+01 1.950550465e+01 1.86 1.650575438e+01 1.650575438e+01 1.88 1.381893443e+01 1.381893443e+01 1.90 1.142660932e+01 1.142660932e+01 1.92 9.309968602e+00 9.309968602e+00 1.94 7.448759647e+00 7.448759647e+00 1.96 5.821794193e+00 5.821794193e+00 1.98 4.407639953e+00 4.407639953e+00 2.00 3.184737459e+00 3.184737459e+00 2.02 2.132092640e+00 2.132092640e+00 2.04 1.229846310e+00 1.229846310e+00 2.06 4.595763109e-01 4.595763109e-01 2.08 -1.961648795e-01 -1.961648795e-01 2.10 -7.533769814e-01 -7.533769814e-01 2.12 -1.227198367e+00 -1.227198367e+00 2.14 -1.632349474e+00 -1.632349474e+00 2.16 -1.983048364e+00 -1.983048364e+00 2.18 -2.288713006e+00 -2.288713006e+00 2.20 -2.554200194e+00 -2.554200194e+00 2.22 -2.784126671e+00 -2.784126671e+00 2.24 -2.983009398e+00 -2.983009398e+00 2.26 -3.155159317e+00 -3.155159317e+00 2.28 -3.304483953e+00 -3.304483953e+00 2.30 -3.434728723e+00 -3.434728723e+00 2.32 -3.549029140e+00 -3.549029140e+00 2.34 -3.647678215e+00 -3.647678215e+00 2.36 -3.730892164e+00 -3.730892164e+00 2.38 -3.799745945e+00 -3.799745945e+00 2.40 -3.855374985e+00 -3.855374985e+00 2.42 -3.898836361e+00 -3.898836361e+00 2.44 -3.931090593e+00 -3.931090593e+00 2.46 -3.952984698e+00 -3.952984698e+00 2.48 -3.965226310e+00 -3.965226310e+00 2.50 -3.968365588e+00 -3.968365588e+00 2.52 -3.962874878e+00 -3.962874878e+00 2.54 -3.949207397e+00 -3.949207397e+00 2.56 -3.927848246e+00 -3.927848246e+00 2.58 -3.899376225e+00 -3.899376225e+00 2.60 -3.864350715e+00 -3.864350715e+00 2.62 -3.823195266e+00 -3.823195266e+00 2.64 -3.776461862e+00 -3.776461862e+00 2.66 -3.724762851e+00 -3.724762851e+00 2.68 -3.668733811e+00 -3.668733811e+00 2.70 -3.609016796e+00 -3.609016796e+00 2.72 -3.546238809e+00 -3.546238809e+00 2.74 -3.480998350e+00 -3.480998350e+00 2.76 -3.413846750e+00 -3.413846750e+00 2.78 -3.345270344e+00 -3.345270344e+00 2.80 -3.275700841e+00 -3.275700841e+00 2.82 -3.205560496e+00 -3.205560496e+00 2.84 -3.135274126e+00 -3.135274126e+00 2.86 -3.065269390e+00 -3.065269390e+00 2.88 -2.995911170e+00 -2.995911170e+00 2.90 -2.927381526e+00 -2.927381526e+00 2.92 -2.859849835e+00 -2.859849835e+00 2.94 -2.793492140e+00 -2.793492140e+00 2.96 -2.728456753e+00 -2.728456753e+00 2.98 -2.664736492e+00 -2.664736492e+00 3.00 -2.602272819e+00 -2.602272819e+00 3.02 -2.541007951e+00 -2.541007951e+00 3.04 -2.480887396e+00 -2.480887396e+00 3.06 -2.421860143e+00 -2.421860143e+00 3.08 -2.363878842e+00 -2.363878842e+00 3.10 -2.306899995e+00 -2.306899995e+00 3.12 -2.250884148e+00 -2.250884148e+00 3.14 -2.195796079e+00 -2.195796079e+00 3.16 -2.141604797e+00 -2.141604797e+00 3.18 -2.088282760e+00 -2.088282760e+00 3.20 -2.035803047e+00 -2.035803047e+00 3.22 -1.984143111e+00 -1.984143111e+00 3.24 -1.933342615e+00 -1.933342615e+00 3.26 -1.883463642e+00 -1.883463642e+00 3.28 -1.834559139e+00 -1.834559139e+00 3.30 -1.786675488e+00 -1.786675488e+00 3.32 -1.739853682e+00 -1.739853682e+00 3.34 -1.694128705e+00 -1.694128705e+00 3.36 -1.649495866e+00 -1.649495866e+00 3.38 -1.605865646e+00 -1.605865646e+00 3.40 -1.563131918e+00 -1.563131918e+00 3.42 -1.521212702e+00 -1.521212702e+00 3.44 -1.480046472e+00 -1.480046472e+00 3.46 -1.439588327e+00 -1.439588327e+00 3.48 -1.399803099e+00 -1.399803099e+00 3.50 -1.360630088e+00 -1.360630088e+00 3.52 -1.321925697e+00 -1.321925697e+00 3.54 -1.283553843e+00 -1.283553843e+00 3.56 -1.245327324e+00 -1.245327324e+00 3.58 -1.207004716e+00 -1.207004716e+00 3.60 -1.168389380e+00 -1.168389380e+00 3.62 -1.129448974e+00 -1.129448974e+00 3.64 -1.090226058e+00 -1.090226058e+00 3.66 -1.050748208e+00 -1.050748208e+00 3.68 -1.011019006e+00 -1.011019006e+00 3.70 -9.711106474e-01 -9.711106474e-01 3.72 -9.311463855e-01 -9.311463855e-01 3.74 -8.912876195e-01 -8.912876195e-01 3.76 -8.517117584e-01 -8.517117584e-01 3.78 -8.126013752e-01 -8.126013752e-01 3.80 -7.741399709e-01 -7.741399709e-01 3.82 -7.364914532e-01 -7.364914532e-01 3.84 -6.997564635e-01 -6.997564635e-01 3.86 -6.639308776e-01 -6.639308776e-01 3.88 -6.289355755e-01 -6.289355755e-01 3.90 -5.949866469e-01 -5.949866469e-01 3.92 -5.624459925e-01 -5.624459925e-01 3.94 -5.312608004e-01 -5.312608004e-01 3.96 -5.010782745e-01 -5.010782745e-01 3.98 -4.717729512e-01 -4.717729512e-01 4.00 -4.438872471e-01 -4.438872471e-01 4.02 -4.177534230e-01 -4.177534230e-01 4.04 -3.934013037e-01 -3.934013037e-01 4.06 -3.709729098e-01 -3.709729098e-01 4.08 -3.504486649e-01 -3.504486649e-01 4.10 -3.317097789e-01 -3.317097789e-01 4.12 -3.146194157e-01 -3.146194157e-01 4.14 -2.988540486e-01 -2.988540486e-01 4.16 -2.841824063e-01 -2.841824063e-01 4.18 -2.704130555e-01 -2.704130555e-01 4.20 -2.573566222e-01 -2.573566222e-01 4.22 -2.448544214e-01 -2.448544214e-01 4.24 -2.328675374e-01 -2.328675374e-01 4.26 -2.213755726e-01 -2.213755726e-01 4.28 -2.103524252e-01 -2.103524252e-01 4.30 -1.997752975e-01 -1.997752975e-01 4.32 -1.896192493e-01 -1.896192493e-01 4.34 -1.798630087e-01 -1.798630087e-01 4.36 -1.704896454e-01 -1.704896454e-01 4.38 -1.614658795e-01 -1.614658795e-01 4.40 -1.527963996e-01 -1.527963996e-01 4.42 -1.443712272e-01 -1.443712272e-01 4.44 -1.361103255e-01 -1.361103255e-01 4.46 -1.283221380e-01 -1.283221380e-01 4.48 -1.212082320e-01 -1.212082320e-01 4.50 -1.150073697e-01 -1.150073697e-01 4.52 -1.092135804e-01 -1.092135804e-01 4.54 -1.031412210e-01 -1.031412210e-01 4.56 -9.644111098e-02 -9.644111098e-02 4.58 -8.899796597e-02 -8.899796597e-02 4.60 -8.083556430e-02 -8.083556430e-02 4.62 -7.212789706e-02 -7.212789706e-02 4.64 -6.339582600e-02 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