# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Cr2FeNi # 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 2022-05-24 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 nan nan 1.10 2.823606808e+04 2.823606808e+04 1.12 2.270337883e+04 2.270337883e+04 1.14 1.832153185e+04 1.832153185e+04 1.16 1.483727974e+04 1.483727974e+04 1.18 1.205609737e+04 1.205609737e+04 1.20 9.827888491e+03 9.827888491e+03 1.22 8.036332585e+03 8.036332585e+03 1.24 6.590903091e+03 6.590903091e+03 1.26 5.420860440e+03 5.420860440e+03 1.28 4.470708622e+03 4.470708622e+03 1.30 3.696742773e+03 3.696742773e+03 1.32 3.064417727e+03 3.064417727e+03 1.34 2.546330905e+03 2.546330905e+03 1.36 2.120669257e+03 2.120669257e+03 1.38 1.770011325e+03 1.770011325e+03 1.40 1.480398253e+03 1.480398253e+03 1.42 1.240609761e+03 1.240609761e+03 1.44 1.041599091e+03 1.041599091e+03 1.46 8.760509637e+02 8.760509637e+02 1.48 7.380333959e+02 7.380333959e+02 1.50 6.227230455e+02 6.227230455e+02 1.52 5.261869448e+02 5.261869448e+02 1.54 4.452097445e+02 4.452097445e+02 1.56 3.771559741e+02 3.771559741e+02 1.58 3.198599986e+02 3.198599986e+02 1.60 2.715383646e+02 2.715383646e+02 1.62 2.307186844e+02 2.307186844e+02 1.64 1.961820805e+02 1.961820805e+02 1.66 1.669176115e+02 1.669176115e+02 1.68 1.420850975e+02 1.420850975e+02 1.70 1.209848486e+02 1.209848486e+02 1.72 1.030331104e+02 1.030331104e+02 1.74 8.774199909e+01 8.774199909e+01 1.76 7.470286036e+01 7.470286036e+01 1.78 6.357256464e+01 6.357256464e+01 1.80 5.406261855e+01 5.406261855e+01 1.82 4.593014803e+01 4.593014803e+01 1.84 3.897023323e+01 3.897023323e+01 1.86 3.300976024e+01 3.300976024e+01 1.88 2.790234117e+01 2.790234117e+01 1.90 2.352404429e+01 2.352404429e+01 1.92 1.976984019e+01 1.976984019e+01 1.94 1.655044608e+01 1.655044608e+01 1.96 1.378969390e+01 1.378969390e+01 1.98 1.142242532e+01 1.142242532e+01 2.00 9.393003679e+00 9.393003679e+00 2.02 7.653913100e+00 7.653913100e+00 2.04 6.164539547e+00 6.164539547e+00 2.06 4.890031993e+00 4.890031993e+00 2.08 3.800515470e+00 3.800515470e+00 2.10 2.870360182e+00 2.870360182e+00 2.12 2.077540859e+00 2.077540859e+00 2.14 1.403120472e+00 1.403120472e+00 2.16 8.308141403e-01 8.308141403e-01 2.18 3.466201376e-01 3.466201376e-01 2.20 -6.149252290e-02 -6.149252290e-02 2.22 -4.038906868e-01 -4.038906868e-01 2.24 -6.896451292e-01 -6.896451292e-01 2.26 -9.266225173e-01 -9.266225173e-01 2.28 -1.121615008e+00 -1.121615008e+00 2.30 -1.280488446e+00 -1.280488446e+00 2.32 -1.408302462e+00 -1.408302462e+00 2.34 -1.509413345e+00 -1.509413345e+00 2.36 -1.587618890e+00 -1.587618890e+00 2.38 -1.646282786e+00 -1.646282786e+00 2.40 -1.688329507e+00 -1.688329507e+00 2.42 -1.716292744e+00 -1.716292744e+00 2.44 -1.732363074e+00 -1.732363074e+00 2.46 -1.738428694e+00 -1.738428694e+00 2.48 -1.736110188e+00 -1.736110188e+00 2.50 -1.726790184e+00 -1.726790184e+00 2.52 -1.711638600e+00 -1.711638600e+00 2.54 -1.691634107e+00 -1.691634107e+00 2.56 -1.667582456e+00 -1.667582456e+00 2.58 -1.640165103e+00 -1.640165103e+00 2.60 -1.610001032e+00 -1.610001032e+00 2.62 -1.577601790e+00 -1.577601790e+00 2.64 -1.543392173e+00 -1.543392173e+00 2.66 -1.507784912e+00 -1.507784912e+00 2.68 -1.471155585e+00 -1.471155585e+00 2.70 -1.433825644e+00 -1.433825644e+00 2.72 -1.396054031e+00 -1.396054031e+00 2.74 -1.358047245e+00 -1.358047245e+00 2.76 -1.319980365e+00 -1.319980365e+00 2.78 -1.282001642e+00 -1.282001642e+00 2.80 -1.244235880e+00 -1.244235880e+00 2.82 -1.206787294e+00 -1.206787294e+00 2.84 -1.169741931e+00 -1.169741931e+00 2.86 -1.133169690e+00 -1.133169690e+00 2.88 -1.097130798e+00 -1.097130798e+00 2.90 -1.061687799e+00 -1.061687799e+00 2.92 -1.026897294e+00 -1.026897294e+00 2.94 -9.928087117e-01 -9.928087117e-01 2.96 -9.594652205e-01 -9.594652205e-01 2.98 -9.269044643e-01 -9.269044643e-01 3.00 -8.951591464e-01 -8.951591464e-01 3.02 -8.642574784e-01 -8.642574784e-01 3.04 -8.342235125e-01 -8.342235125e-01 3.06 -8.050773699e-01 -8.050773699e-01 3.08 -7.768353802e-01 -7.768353802e-01 3.10 -7.495101406e-01 -7.495101406e-01 3.12 -7.231105060e-01 -7.231105060e-01 3.14 -6.976415187e-01 -6.976415187e-01 3.16 -6.731042296e-01 -6.731042296e-01 3.18 -6.494919598e-01 -6.494919598e-01 3.20 -6.267885335e-01 -6.267885335e-01 3.22 -6.049740496e-01 -6.049740496e-01 3.24 -5.840251214e-01 -5.840251214e-01 3.26 -5.639145015e-01 -5.639145015e-01 3.28 -5.446106812e-01 -5.446106812e-01 3.30 -5.260774692e-01 -5.260774692e-01 3.32 -5.082765998e-01 -5.082765998e-01 3.34 -4.911773141e-01 -4.911773141e-01 3.36 -4.747483555e-01 -4.747483555e-01 3.38 -4.589547901e-01 -4.589547901e-01 3.40 -4.437576521e-01 -4.437576521e-01 3.42 -4.291135775e-01 -4.291135775e-01 3.44 -4.149744310e-01 -4.149744310e-01 3.46 -4.012892350e-01 -4.012892350e-01 3.48 -3.880299678e-01 -3.880299678e-01 3.50 -3.751858889e-01 -3.751858889e-01 3.52 -3.627472912e-01 -3.627472912e-01 3.54 -3.507051473e-01 -3.507051473e-01 3.56 -3.390510449e-01 -3.390510449e-01 3.58 -3.277771181e-01 -3.277771181e-01 3.60 -3.168759767e-01 -3.168759767e-01 3.62 -3.063406326e-01 -3.063406326e-01 3.64 -2.961644243e-01 -2.961644243e-01 3.66 -2.863409393e-01 -2.863409393e-01 3.68 -2.768639355e-01 -2.768639355e-01 3.70 -2.677272606e-01 -2.677272606e-01 3.72 -2.589247709e-01 -2.589247709e-01 3.74 -2.504502494e-01 -2.504502494e-01 3.76 -2.422973224e-01 -2.422973224e-01 3.78 -2.344593761e-01 -2.344593761e-01 3.80 -2.269294724e-01 -2.269294724e-01 3.82 -2.197002646e-01 -2.197002646e-01 3.84 -2.127639126e-01 -2.127639126e-01 3.86 -2.061119977e-01 -2.061119977e-01 3.88 -1.997354376e-01 -1.997354376e-01 3.90 -1.936244012e-01 -1.936244012e-01 3.92 -1.877682233e-01 -1.877682233e-01 3.94 -1.821553192e-01 -1.821553192e-01 3.96 -1.767730994e-01 -1.767730994e-01 3.98 -1.716078848e-01 -1.716078848e-01 4.00 -1.666448212e-01 -1.666448212e-01 4.02 -1.618677945e-01 -1.618677945e-01 4.04 -1.572593458e-01 -1.572593458e-01 4.06 -1.528024916e-01 -1.528024916e-01 4.08 -1.484890328e-01 -1.484890328e-01 4.10 -1.443139125e-01 -1.443139125e-01 4.12 -1.402722626e-01 -1.402722626e-01 4.14 -1.363593948e-01 -1.363593948e-01 4.16 -1.325707949e-01 -1.325707949e-01 4.18 -1.289021159e-01 -1.289021159e-01 4.20 -1.253491721e-01 -1.253491721e-01 4.22 -1.219079328e-01 -1.219079328e-01 4.24 -1.185745172e-01 -1.185745172e-01 4.26 -1.153451880e-01 -1.153451880e-01 4.28 -1.122163464e-01 -1.122163464e-01 4.30 -1.091845272e-01 -1.091845272e-01 4.32 -1.062463929e-01 -1.062463929e-01 4.34 -1.033987298e-01 -1.033987298e-01 4.36 -1.006384425e-01 -1.006384425e-01 4.38 -9.796255000e-02 -9.796255000e-02 4.40 -9.536818086e-02 -9.536818086e-02 4.42 -9.285256934e-02 -9.285256934e-02 4.44 -9.041305122e-02 -9.041305122e-02 4.46 -8.804705989e-02 -8.804705989e-02 4.48 -8.575181848e-02 -8.575181848e-02 4.50 -8.352347994e-02 -8.352347994e-02 4.52 -8.135814480e-02 -8.135814480e-02 4.54 -7.925217482e-02 -7.925217482e-02 4.56 -7.720218391e-02 -7.720218391e-02 4.58 -7.520502905e-02 -7.520502905e-02 4.60 -7.325780134e-02 -7.325780134e-02 4.62 -7.135781716e-02 -7.135781716e-02 4.64 -6.950260933e-02 -6.950260933e-02 4.66 -6.768991842e-02 -6.768991842e-02 4.68 -6.591768404e-02 -6.591768404e-02 4.70 -6.418403633e-02 -6.418403633e-02 4.72 -6.248728740e-02 -6.248728740e-02 4.74 -6.082592285e-02 -6.082592285e-02 4.76 -5.919859344e-02 -5.919859344e-02 4.78 -5.760410671e-02 -5.760410671e-02 4.80 -5.604141873e-02 -5.604141873e-02 4.82 -5.450962588e-02 -5.450962588e-02 4.84 -5.300795665e-02 -5.300795665e-02 4.86 -5.153576357e-02 -5.153576357e-02 4.88 -5.009251515e-02 -5.009251515e-02 4.90 -4.867778782e-02 -4.867778782e-02 4.92 -4.729125798e-02 -4.729125798e-02 4.94 -4.593269410e-02 -4.593269410e-02 4.96 -4.460194878e-02 -4.460194878e-02 4.98 -4.329895097e-02 -4.329895097e-02 5.00 -4.202369813e-02 -4.202369813e-02 5.02 -4.077624845e-02 -4.077624845e-02 5.04 -3.955671317e-02 -3.955671317e-02 5.06 -3.836524883e-02 -3.836524883e-02 5.08 -3.720204966e-02 -3.720204966e-02 5.10 -3.606733989e-02 -3.606733989e-02 5.12 -3.496136623e-02 -3.496136623e-02 5.14 -3.388439022e-02 -3.388439022e-02 5.16 -3.283664718e-02 -3.283664718e-02 5.18 -3.181762001e-02 -3.181762001e-02 5.20 -3.082611491e-02 -3.082611491e-02 5.22 -2.986102509e-02 -2.986102509e-02 5.24 -2.892135376e-02 -2.892135376e-02 5.26 -2.800620291e-02 -2.800620291e-02 5.28 -2.711476205e-02 -2.711476205e-02 5.30 -2.624629694e-02 -2.624629694e-02 5.32 -2.540013833e-02 -2.540013833e-02 5.34 -2.457567070e-02 -2.457567070e-02 5.36 -2.377232101e-02 -2.377232101e-02 5.38 -2.298954744e-02 -2.298954744e-02 5.40 -2.222682812e-02 -2.222682812e-02 5.42 -2.148364988e-02 -2.148364988e-02 5.44 -2.075949699e-02 -2.075949699e-02 5.46 -2.005383990e-02 -2.005383990e-02 5.48 -1.936612397e-02 -1.936612397e-02 5.50 -1.869575824e-02 -1.869575824e-02 5.52 -1.804210413e-02 -1.804210413e-02 5.54 -1.740446423e-02 -1.740446423e-02 5.56 -1.678207099e-02 -1.678207099e-02 5.58 -1.617407549e-02 -1.617407549e-02 5.60 -1.557953619e-02 -1.557953619e-02 5.62 -1.499740765e-02 -1.499740765e-02 5.64 -1.442652925e-02 -1.442652925e-02 5.66 -1.386561400e-02 -1.386561400e-02 5.68 -1.331323722e-02 -1.331323722e-02 5.70 -1.276782530e-02 -1.276782530e-02 5.72 -1.222764848e-02 -1.222764848e-02 5.74 -1.169156401e-02 -1.169156401e-02 5.76 -1.115998229e-02 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