# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoCr2Fe # 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 6.186582087e+02 6.186582087e+02 0.94 5.745475141e+02 5.745475141e+02 0.96 5.334078537e+02 5.334078537e+02 0.98 4.950466746e+02 4.950466746e+02 1.00 4.592835333e+02 4.592835333e+02 1.02 4.259493523e+02 4.259493523e+02 1.04 3.948857214e+02 3.948857214e+02 1.06 3.659442420e+02 3.659442420e+02 1.08 3.389859097e+02 3.389859097e+02 1.10 3.138805349e+02 3.138805349e+02 1.12 2.905061986e+02 2.905061986e+02 1.14 2.687487401e+02 2.687487401e+02 1.16 2.485012770e+02 2.485012770e+02 1.18 2.296637534e+02 2.296637534e+02 1.20 2.121425156e+02 2.121425156e+02 1.22 1.958499143e+02 1.958499143e+02 1.24 1.807039297e+02 1.807039297e+02 1.26 1.666278211e+02 1.666278211e+02 1.28 1.535497961e+02 1.535497961e+02 1.30 1.414027013e+02 1.414027013e+02 1.32 1.301237314e+02 1.301237314e+02 1.34 1.196541560e+02 1.196541560e+02 1.36 1.099390636e+02 1.099390636e+02 1.38 1.009271206e+02 1.009271206e+02 1.40 9.257034553e+01 9.257034553e+01 1.42 8.482389762e+01 8.482389762e+01 1.44 7.764587734e+01 7.764587734e+01 1.46 7.099714006e+01 7.099714006e+01 1.48 6.484112095e+01 6.484112095e+01 1.50 5.914367071e+01 5.914367071e+01 1.52 5.387290148e+01 5.387290148e+01 1.54 4.899904235e+01 4.899904235e+01 1.56 4.449430375e+01 4.449430375e+01 1.58 4.033275041e+01 4.033275041e+01 1.60 3.649018213e+01 3.649018213e+01 1.62 3.294402202e+01 3.294402202e+01 1.64 2.967321171e+01 2.967321171e+01 1.66 2.665811322e+01 2.665811322e+01 1.68 2.388041680e+01 2.388041680e+01 1.70 2.132305471e+01 2.132305471e+01 1.72 1.897012034e+01 1.897012034e+01 1.74 1.680679251e+01 1.680679251e+01 1.76 1.481926443e+01 1.481926443e+01 1.78 1.299467726e+01 1.299467726e+01 1.80 1.132105782e+01 1.132105782e+01 1.82 9.787260244e+00 9.787260244e+00 1.84 8.382911417e+00 8.382911417e+00 1.86 7.098359787e+00 7.098359787e+00 1.88 5.924627517e+00 5.924627517e+00 1.90 4.853365663e+00 4.853365663e+00 1.92 3.876812235e+00 3.876812235e+00 1.94 2.987752944e+00 2.987752944e+00 1.96 2.179484478e+00 2.179484478e+00 1.98 1.445780144e+00 1.445780144e+00 2.00 7.808577275e-01 7.808577275e-01 2.02 1.793494375e-01 1.793494375e-01 2.04 -3.637262052e-01 -3.637262052e-01 2.06 -8.529906460e-01 -8.529906460e-01 2.08 -1.292729863e+00 -1.292729863e+00 2.10 -1.686917330e+00 -1.686917330e+00 2.12 -2.039235478e+00 -2.039235478e+00 2.14 -2.353095736e+00 -2.353095736e+00 2.16 -2.631657258e+00 -2.631657258e+00 2.18 -2.877844482e+00 -2.877844482e+00 2.20 -3.094363321e+00 -3.094363321e+00 2.22 -3.283716567e+00 -3.283716567e+00 2.24 -3.448218051e+00 -3.448218051e+00 2.26 -3.590005950e+00 -3.590005950e+00 2.28 -3.711055185e+00 -3.711055185e+00 2.30 -3.813188990e+00 -3.813188990e+00 2.32 -3.898089698e+00 -3.898089698e+00 2.34 -3.967308810e+00 -3.967308810e+00 2.36 -4.022276365e+00 -4.022276365e+00 2.38 -4.064309691e+00 -4.064309691e+00 2.40 -4.094621548e+00 -4.094621548e+00 2.42 -4.114327717e+00 -4.114327717e+00 2.44 -4.124454072e+00 -4.124454072e+00 2.46 -4.125936302e+00 -4.125936302e+00 2.48 -4.119607843e+00 -4.119607843e+00 2.50 -4.106228317e+00 -4.106228317e+00 2.52 -4.086476431e+00 -4.086476431e+00 2.54 -4.060964338e+00 -4.060964338e+00 2.56 -4.030257903e+00 -4.030257903e+00 2.58 -3.994880127e+00 -3.994880127e+00 2.60 -3.955314001e+00 -3.955314001e+00 2.62 -3.912005189e+00 -3.912005189e+00 2.64 -3.865364518e+00 -3.865364518e+00 2.66 -3.815770326e+00 -3.815770326e+00 2.68 -3.763570639e+00 -3.763570639e+00 2.70 -3.709085202e+00 -3.709085202e+00 2.72 -3.652603853e+00 -3.652603853e+00 2.74 -3.594375755e+00 -3.594375755e+00 2.76 -3.534670012e+00 -3.534670012e+00 2.78 -3.473739235e+00 -3.473739235e+00 2.80 -3.411759841e+00 -3.411759841e+00 2.82 -3.348917793e+00 -3.348917793e+00 2.84 -3.285381719e+00 -3.285381719e+00 2.86 -3.221304077e+00 -3.221304077e+00 2.88 -3.156822253e+00 -3.156822253e+00 2.90 -3.092059572e+00 -3.092059572e+00 2.92 -3.027126257e+00 -3.027126257e+00 2.94 -2.962120320e+00 -2.962120320e+00 2.96 -2.897128402e+00 -2.897128402e+00 2.98 -2.832226568e+00 -2.832226568e+00 3.00 -2.767481063e+00 -2.767481063e+00 3.02 -2.702949036e+00 -2.702949036e+00 3.04 -2.638679246e+00 -2.638679246e+00 3.06 -2.574712752e+00 -2.574712752e+00 3.08 -2.511083606e+00 -2.511083606e+00 3.10 -2.447819552e+00 -2.447819552e+00 3.12 -2.384942753e+00 -2.384942753e+00 3.14 -2.322470553e+00 -2.322470553e+00 3.16 -2.260416286e+00 -2.260416286e+00 3.18 -2.198790157e+00 -2.198790157e+00 3.20 -2.137600193e+00 -2.137600193e+00 3.22 -2.076853297e+00 -2.076853297e+00 3.24 -2.016556380e+00 -2.016556380e+00 3.26 -1.956717619e+00 -1.956717619e+00 3.28 -1.897347783e+00 -1.897347783e+00 3.30 -1.838461666e+00 -1.838461666e+00 3.32 -1.780079546e+00 -1.780079546e+00 3.34 -1.722228663e+00 -1.722228663e+00 3.36 -1.664944630e+00 -1.664944630e+00 3.38 -1.608272692e+00 -1.608272692e+00 3.40 -1.552268739e+00 -1.552268739e+00 3.42 -1.496999948e+00 -1.496999948e+00 3.44 -1.442544924e+00 -1.442544924e+00 3.46 -1.388993231e+00 -1.388993231e+00 3.48 -1.336444203e+00 -1.336444203e+00 3.50 -1.285004975e+00 -1.285004975e+00 3.52 -1.234787742e+00 -1.234787742e+00 3.54 -1.185906288e+00 -1.185906288e+00 3.56 -1.138471952e+00 -1.138471952e+00 3.58 -1.092589247e+00 -1.092589247e+00 3.60 -1.048351406e+00 -1.048351406e+00 3.62 -1.005836205e+00 -1.005836205e+00 3.64 -9.651023654e-01 -9.651023654e-01 3.66 -9.261868420e-01 -9.261868420e-01 3.68 -8.891032244e-01 -8.891032244e-01 3.70 -8.538413634e-01 -8.538413634e-01 3.72 -8.203682427e-01 -8.203682427e-01 3.74 -7.886299926e-01 -7.886299926e-01 3.76 -7.585548508e-01 -7.585548508e-01 3.78 -7.300568046e-01 -7.300568046e-01 3.80 -7.030396164e-01 -7.030396164e-01 3.82 -6.773587035e-01 -6.773587035e-01 3.84 -6.492532168e-01 -6.492532168e-01 3.86 -6.019408918e-01 -6.019408918e-01 3.88 -5.173130421e-01 -5.173130421e-01 3.90 -4.499187090e-01 -4.499187090e-01 3.92 -4.340983470e-01 -4.340983470e-01 3.94 -4.189220328e-01 -4.189220328e-01 3.96 -4.043372646e-01 -4.043372646e-01 3.98 -3.902991212e-01 -3.902991212e-01 4.00 -3.767695330e-01 -3.767695330e-01 4.02 -3.637164151e-01 -3.637164151e-01 4.04 -3.511127504e-01 -3.511127504e-01 4.06 -3.389356898e-01 -3.389356898e-01 4.08 -3.271657219e-01 -3.271657219e-01 4.10 -3.157859437e-01 -3.157859437e-01 4.12 -3.047814488e-01 -3.047814488e-01 4.14 -2.941388348e-01 -2.941388348e-01 4.16 -2.838458230e-01 -2.838458230e-01 4.18 -2.738909740e-01 -2.738909740e-01 4.20 -2.642634852e-01 -2.642634852e-01 4.22 -2.549530497e-01 -2.549530497e-01 4.24 -2.459497622e-01 -2.459497622e-01 4.26 -2.372440579e-01 -2.372440579e-01 4.28 -2.288266734e-01 -2.288266734e-01 4.30 -2.206886220e-01 -2.206886220e-01 4.32 -2.128211780e-01 -2.128211780e-01 4.34 -2.052158660e-01 -2.052158660e-01 4.36 -1.978644523e-01 -1.978644523e-01 4.38 -1.907589396e-01 -1.907589396e-01 4.40 -1.838915601e-01 -1.838915601e-01 4.42 -1.767112894e-01 -1.767112894e-01 4.44 -1.625470498e-01 -1.625470498e-01 4.46 -1.261156983e-01 -1.261156983e-01 4.48 -5.759482783e-02 -5.759482783e-02 4.50 -8.485076650e-23 -8.483543051e-23 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 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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