# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Cu2FeNi # 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 -4.567390292e+02 -4.567390292e+02 1.06 -4.309467457e+02 -4.309467457e+02 1.08 -4.067744027e+02 -4.067744027e+02 1.10 -3.839680117e+02 -3.839680117e+02 1.12 -3.617560847e+02 -3.617560847e+02 1.14 -3.400028647e+02 -3.400028647e+02 1.16 -3.193568121e+02 -3.193568121e+02 1.18 -2.998463185e+02 -2.998463185e+02 1.20 -2.822927175e+02 -2.822927175e+02 1.22 -2.668481566e+02 -2.668481566e+02 1.24 -2.526446955e+02 -2.526446955e+02 1.26 -2.390734994e+02 -2.390734994e+02 1.28 -2.267829278e+02 -2.267829278e+02 1.30 -2.151940265e+02 -2.151940265e+02 1.32 -2.040622914e+02 -2.040622914e+02 1.34 -1.930021847e+02 -1.930021847e+02 1.36 -1.824010818e+02 -1.824010818e+02 1.38 -1.723209333e+02 -1.723209333e+02 1.40 -1.631005833e+02 -1.631005833e+02 1.42 -1.542024615e+02 -1.542024615e+02 1.44 -1.452634487e+02 -1.452634487e+02 1.46 -1.364375521e+02 -1.364375521e+02 1.48 -1.274649321e+02 -1.274649321e+02 1.50 -1.186445300e+02 -1.186445300e+02 1.52 -1.101447802e+02 -1.101447802e+02 1.54 -1.019553362e+02 -1.019553362e+02 1.56 -9.389835378e+01 -9.389835378e+01 1.58 -8.578981177e+01 -8.578981177e+01 1.60 -7.742196316e+01 -7.742196316e+01 1.62 -6.872068296e+01 -6.872068296e+01 1.64 -6.003349724e+01 -6.003349724e+01 1.66 -5.183503792e+01 -5.183503792e+01 1.68 -4.417346249e+01 -4.417346249e+01 1.70 -3.713703870e+01 -3.713703870e+01 1.72 -3.071427607e+01 -3.071427607e+01 1.74 -2.501172622e+01 -2.501172622e+01 1.76 -2.004853962e+01 -2.004853962e+01 1.78 -1.562014565e+01 -1.562014565e+01 1.80 -1.167440028e+01 -1.167440028e+01 1.82 -8.266545613e+00 -8.266545613e+00 1.84 -5.680657061e+00 -5.680657061e+00 1.86 -3.785706137e+00 -3.785706137e+00 1.88 -2.481721446e+00 -2.481721446e+00 1.90 -1.644661536e+00 -1.644661536e+00 1.92 -1.147806512e+00 -1.147806512e+00 1.94 -8.903030550e-01 -8.903030550e-01 1.96 -8.064172620e-01 -8.064172620e-01 1.98 -8.494075861e-01 -8.494075861e-01 2.00 -9.964616476e-01 -9.964619426e-01 2.02 -1.219425679e+00 -1.219425679e+00 2.04 -1.475976243e+00 -1.475976243e+00 2.06 -1.757231811e+00 -1.757231811e+00 2.08 -2.047395964e+00 -2.047395964e+00 2.10 -2.331513589e+00 -2.331513589e+00 2.12 -2.596188162e+00 -2.596188162e+00 2.14 -2.838196517e+00 -2.838196517e+00 2.16 -3.038874556e+00 -3.038874556e+00 2.18 -3.198941149e+00 -3.198941149e+00 2.20 -3.321116417e+00 -3.321116417e+00 2.22 -3.412482555e+00 -3.412482555e+00 2.24 -3.481367972e+00 -3.481367972e+00 2.26 -3.535499268e+00 -3.535499268e+00 2.28 -3.583389289e+00 -3.583389289e+00 2.30 -3.632113875e+00 -3.632113875e+00 2.32 -3.682072921e+00 -3.682072921e+00 2.34 -3.736056780e+00 -3.736056780e+00 2.36 -3.778797709e+00 -3.778797709e+00 2.38 -3.810626349e+00 -3.810626349e+00 2.40 -3.835053573e+00 -3.835053573e+00 2.42 -3.844801773e+00 -3.844801773e+00 2.44 -3.844683262e+00 -3.844683262e+00 2.46 -3.836836613e+00 -3.836836613e+00 2.48 -3.823359669e+00 -3.823359669e+00 2.50 -3.805938971e+00 -3.805938971e+00 2.52 -3.785393472e+00 -3.785393472e+00 2.54 -3.761846096e+00 -3.761846096e+00 2.56 -3.735714479e+00 -3.735714479e+00 2.58 -3.707647702e+00 -3.707647702e+00 2.60 -3.679182196e+00 -3.679182196e+00 2.62 -3.649833749e+00 -3.649833749e+00 2.64 -3.620502824e+00 -3.620502824e+00 2.66 -3.591515891e+00 -3.591515891e+00 2.68 -3.562833446e+00 -3.562833446e+00 2.70 -3.534181117e+00 -3.534181117e+00 2.72 -3.505194891e+00 -3.505194891e+00 2.74 -3.475467472e+00 -3.475467472e+00 2.76 -3.444586098e+00 -3.444586098e+00 2.78 -3.412128862e+00 -3.412128862e+00 2.80 -3.377514847e+00 -3.377514847e+00 2.82 -3.340097388e+00 -3.340097388e+00 2.84 -3.299363371e+00 -3.299363371e+00 2.86 -3.255199105e+00 -3.255199105e+00 2.88 -3.207434030e+00 -3.207434030e+00 2.90 -3.156546079e+00 -3.156546079e+00 2.92 -3.103620101e+00 -3.103620101e+00 2.94 -3.049937195e+00 -3.049937195e+00 2.96 -2.996595289e+00 -2.996595289e+00 2.98 -2.944075916e+00 -2.944075916e+00 3.00 -2.893543994e+00 -2.893543994e+00 3.02 -2.843286281e+00 -2.843286281e+00 3.04 -2.786187343e+00 -2.786187343e+00 3.06 -2.718925366e+00 -2.718925366e+00 3.08 -2.637062398e+00 -2.637062398e+00 3.10 -2.535812143e+00 -2.535812143e+00 3.12 -2.409963023e+00 -2.409963023e+00 3.14 -2.279972378e+00 -2.279972378e+00 3.16 -2.115721173e+00 -2.115721173e+00 3.18 -1.928281597e+00 -1.928281597e+00 3.20 -1.720273247e+00 -1.720273247e+00 3.22 -1.501758475e+00 -1.501758475e+00 3.24 -1.283029041e+00 -1.283029041e+00 3.26 -1.072670103e+00 -1.072670103e+00 3.28 -8.773345376e-01 -8.773345376e-01 3.30 -7.014199683e-01 -7.014199683e-01 3.32 -5.468571145e-01 -5.468571145e-01 3.34 -4.132308489e-01 -4.132308489e-01 3.36 -2.984023876e-01 -2.984023876e-01 3.38 -1.993100126e-01 -1.993100126e-01 3.40 -1.126961534e-01 -1.126961534e-01 3.42 -3.566913817e-02 -3.566913817e-02 3.44 3.398305070e-02 3.398305070e-02 3.46 9.780272436e-02 9.780272436e-02 3.48 1.568321335e-01 1.568321335e-01 3.50 2.118110645e-01 2.118110645e-01 3.52 2.633362308e-01 2.633362308e-01 3.54 3.119588437e-01 3.119588437e-01 3.56 3.582246200e-01 3.582246200e-01 3.58 4.026662358e-01 4.026662358e-01 3.60 4.457846818e-01 4.457846818e-01 3.62 4.880477972e-01 4.880477972e-01 3.64 5.298887532e-01 5.298887532e-01 3.66 5.716895416e-01 5.716895416e-01 3.68 6.052748339e-01 6.052748339e-01 3.70 6.429899494e-01 6.429899494e-01 3.72 6.799405145e-01 6.799405145e-01 3.74 7.161625775e-01 7.161625775e-01 3.76 7.516773416e-01 7.516773416e-01 3.78 7.864895379e-01 7.864895379e-01 3.80 8.205834637e-01 8.205834637e-01 3.82 8.539167004e-01 8.539167004e-01 3.84 8.864110486e-01 8.864110486e-01 3.86 9.179388000e-01 9.179388000e-01 3.88 9.483035574e-01 9.483035574e-01 3.90 9.772710044e-01 9.772710044e-01 3.92 1.004587165e+00 1.004587165e+00 3.94 1.029987002e+00 1.029987002e+00 3.96 1.053202445e+00 1.053202445e+00 3.98 1.073954927e+00 1.073954927e+00 4.00 1.091755800e+00 1.091755800e+00 4.02 1.105076095e+00 1.105076095e+00 4.04 1.112476434e+00 1.112476434e+00 4.06 1.113025661e+00 1.113025661e+00 4.08 1.106228227e+00 1.106228227e+00 4.10 1.091954714e+00 1.091954714e+00 4.12 1.070375238e+00 1.070375238e+00 4.14 1.041895873e+00 1.041895873e+00 4.16 1.007098067e+00 1.007098067e+00 4.18 9.666814908e-01 9.666814908e-01 4.20 9.214074185e-01 9.214074185e-01 4.22 8.720370661e-01 8.720370661e-01 4.24 8.192917865e-01 8.192917865e-01 4.26 7.638133664e-01 7.638133664e-01 4.28 7.061228918e-01 7.061228918e-01 4.30 6.465861064e-01 6.465861064e-01 4.32 5.853834418e-01 5.853834418e-01 4.34 5.224880978e-01 5.224880978e-01 4.36 4.576544337e-01 4.576544337e-01 4.38 3.904176490e-01 3.904176490e-01 4.40 3.201115598e-01 3.201115598e-01 4.42 2.459033871e-01 2.459033871e-01 4.44 1.668550811e-01 1.668550811e-01 4.46 8.200438712e-02 8.200438712e-02 4.48 -7.719541520e-04 -7.719541520e-04 4.50 -3.508793675e-02 -3.508793675e-02 4.52 3.024751866e-02 3.024751866e-02 4.54 2.388398666e-01 2.388398666e-01 4.56 6.266121634e-01 6.266121634e-01 4.58 1.223762825e+00 1.223762825e+00 4.60 2.055808382e+00 2.055808382e+00 4.62 3.140023074e+00 3.140023074e+00 4.64 4.483945375e+00 4.483945375e+00 4.66 6.085278692e+00 6.085278692e+00 4.68 7.932591018e+00 7.932591018e+00 4.70 1.000570192e+01 1.000570192e+01 4.72 1.227626285e+01 1.227626285e+01 4.74 1.470865739e+01 1.470865739e+01 4.76 1.726105130e+01 1.726105130e+01 4.78 1.988649275e+01 1.988649275e+01 4.80 2.253409377e+01 2.253409377e+01 4.82 2.515008742e+01 2.515008742e+01 4.84 2.767884643e+01 2.767884643e+01 4.86 3.006398690e+01 3.006398690e+01 4.88 3.224937796e+01 3.224937796e+01 4.90 3.418035062e+01 3.418035062e+01 4.92 3.580500015e+01 3.580500015e+01 4.94 3.707557209e+01 3.707557209e+01 4.96 3.795002356e+01 3.795002356e+01 4.98 3.839363600e+01 3.839363600e+01 5.00 3.838073731e+01 3.838073731e+01 5.02 3.789625417e+01 3.789625417e+01 5.04 3.693743275e+01 3.693743275e+01 5.06 3.551517875e+01 3.551517875e+01 5.08 3.365508180e+01 3.365508180e+01 5.10 3.139810475e+01 3.139810475e+01 5.12 2.880047002e+01 2.880047002e+01 5.14 2.593291048e+01 2.593291048e+01 5.16 2.287877126e+01 2.287877126e+01 5.18 1.973111852e+01 1.973111852e+01 5.20 1.658388059e+01 1.658388059e+01 5.22 1.354450862e+01 1.354450862e+01 5.24 1.070877235e+01 1.070877235e+01 5.26 8.160408077e+00 8.160408077e+00 5.28 5.959515908e+00 5.959515908e+00 5.30 4.138825092e+00 4.138825092e+00 5.32 2.702680212e+00 2.702680212e+00 5.34 1.629145161e+00 1.629145161e+00 5.36 8.751491991e-01 8.751491991e-01 5.38 3.839479959e-01 3.839479959e-01 5.40 9.358340223e-02 9.358340223e-02 5.42 -5.524812552e-02 -5.524812552e-02 5.44 -1.133036209e-01 -1.133036209e-01 5.46 -1.196702368e-01 -1.196702368e-01 5.48 -1.013795223e-01 -1.013795223e-01 5.50 -7.505355933e-02 -7.505355933e-02 5.52 -4.955370365e-02 -4.955370365e-02 5.54 -2.869135230e-02 -2.869135230e-02 5.56 -1.341288381e-02 -1.341288381e-02 5.58 -3.284196534e-03 -3.284196534e-03 5.60 2.657853934e-03 2.657853934e-03 5.62 5.481119281e-03 5.481119281e-03 5.64 6.174400398e-03 6.174400398e-03 5.66 5.574001901e-03 5.574001901e-03 5.68 4.339592689e-03 4.339592689e-03 5.70 2.952528514e-03 2.952528514e-03 5.72 1.725002484e-03 1.725002484e-03 5.74 8.204930745e-04 8.204930745e-04 5.76 2.793532521e-04 2.793532521e-04 5.78 4.617958750e-05 4.617958750e-05 5.80 1.745202016e-07 1.745202016e-07 5.82 -1.485429703e-05 -1.485429703e-05 5.84 -1.656486653e-04 -1.656486653e-04 5.86 -6.188318908e-04 -6.188318908e-04 5.88 -1.541129216e-03 -1.541129216e-03 5.90 -3.098089281e-03 -3.098089281e-03 5.92 -5.454072228e-03 -5.454072228e-03 5.94 -8.769043965e-03 -8.769043965e-03 5.96 -1.319556548e-02 -1.319556548e-02 5.98 -1.887168231e-02 -1.887168231e-02 6.00 -1.233606318e-02 -1.271571486e-02