# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlCo # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan -3.497609878e+02 -3.497609878e+02 nan nan 0.82 nan nan nan nan -3.236515332e+02 -3.236515332e+02 nan nan 0.84 nan nan nan nan -2.989478549e+02 -2.989478549e+02 nan nan 0.86 nan nan nan nan -2.757864913e+02 -2.757864913e+02 nan nan 0.88 nan nan nan nan -2.544666683e+02 -2.544666683e+02 nan nan 0.90 -3.802849788e+02 -3.802849788e+02 nan nan -2.356005258e+02 -2.356005258e+02 nan nan 0.92 -3.552516215e+02 -3.552516215e+02 nan nan -2.187751153e+02 -2.187751153e+02 nan nan 0.94 -3.317646972e+02 -3.317646972e+02 nan nan -2.028362753e+02 -2.028362753e+02 nan nan 0.96 -3.096463639e+02 -3.096463639e+02 nan nan -1.874940695e+02 -1.874940695e+02 nan nan 0.98 -2.893146502e+02 -2.893146502e+02 nan nan -1.731816327e+02 -1.731816327e+02 nan nan 1.00 -2.709415708e+02 -2.709415708e+02 nan nan -1.599855732e+02 -1.599855732e+02 nan nan 1.02 -2.546659026e+02 -2.546659026e+02 -3.382797920e+02 -3.382797920e+02 -1.478374881e+02 -1.478374881e+02 -3.603441128e+02 -3.603441128e+02 1.04 -2.406122697e+02 -2.406122697e+02 -3.207537181e+02 -3.207537181e+02 -1.366559769e+02 -1.366559769e+02 -3.397318403e+02 -3.397318403e+02 1.06 -2.283487556e+02 -2.283487556e+02 -3.044719445e+02 -3.044719445e+02 -1.263476477e+02 -1.263476477e+02 -3.201307238e+02 -3.201307238e+02 1.08 -2.170046574e+02 -2.170046574e+02 -2.892652817e+02 -2.892652817e+02 -1.169008252e+02 -1.169008252e+02 -3.014191302e+02 -3.014191302e+02 1.10 -2.061090743e+02 -2.061090743e+02 -2.748033538e+02 -2.748033538e+02 -1.082485390e+02 -1.082485390e+02 -2.837053825e+02 -2.837053825e+02 1.12 -1.956898597e+02 -1.956898597e+02 -2.606639577e+02 -2.606639577e+02 -1.002070813e+02 -1.002070813e+02 -2.672853461e+02 -2.672853461e+02 1.14 -1.857803625e+02 -1.857803625e+02 -2.466464581e+02 -2.466464581e+02 -9.273489730e+01 -9.273489730e+01 -2.523978856e+02 -2.523978856e+02 1.16 -1.761293324e+02 -1.761293324e+02 -2.327669828e+02 -2.327669828e+02 -8.593494659e+01 -8.593494659e+01 -2.391201828e+02 -2.391201828e+02 1.18 -1.664987353e+02 -1.664987353e+02 -2.193210760e+02 -2.193210760e+02 -7.989148938e+01 -7.989148938e+01 -2.272870427e+02 -2.272870427e+02 1.20 -1.567534407e+02 -1.567534407e+02 -2.067848549e+02 -2.067848549e+02 -7.463673046e+01 -7.463673046e+01 -2.165770904e+02 -2.165770904e+02 1.22 -1.468557089e+02 -1.468557089e+02 -1.954307077e+02 -1.954307077e+02 -7.014299708e+01 -7.014299708e+01 -2.067317130e+02 -2.067317130e+02 1.24 -1.369070283e+02 -1.369070283e+02 -1.851346834e+02 -1.851346834e+02 -6.617355239e+01 -6.617355239e+01 -1.976082584e+02 -1.976082584e+02 1.26 -1.270550742e+02 -1.270550742e+02 -1.757347234e+02 -1.757347234e+02 -6.246587212e+01 -6.246587212e+01 -1.890313875e+02 -1.890313875e+02 1.28 -1.174009327e+02 -1.174009327e+02 -1.670848976e+02 -1.670848976e+02 -5.887790337e+01 -5.887790337e+01 -1.808086020e+02 -1.808086020e+02 1.30 -1.080969464e+02 -1.080969464e+02 -1.590676779e+02 -1.590676779e+02 -5.543980121e+01 -5.543980121e+01 -1.727907909e+02 -1.727907909e+02 1.32 -9.929160312e+01 -9.929160312e+01 -1.515506988e+02 -1.515506988e+02 -5.222480636e+01 -5.222480636e+01 -1.649269963e+02 -1.649269963e+02 1.34 -9.114746634e+01 -9.114746634e+01 -1.443837044e+02 -1.443837044e+02 -4.919162214e+01 -4.919162214e+01 -1.571913715e+02 -1.571913715e+02 1.36 -8.386403599e+01 -8.386403599e+01 -1.375171569e+02 -1.375171569e+02 -4.625317481e+01 -4.625317481e+01 -1.495372394e+02 -1.495372394e+02 1.38 -7.754979854e+01 -7.754979854e+01 -1.309635831e+02 -1.309635831e+02 -4.338117831e+01 -4.338117831e+01 -1.420002405e+02 -1.420002405e+02 1.40 -7.220126849e+01 -7.220126849e+01 -1.246649945e+02 -1.246649945e+02 -4.059337788e+01 -4.059337788e+01 -1.346824104e+02 -1.346824104e+02 1.42 -6.774037462e+01 -6.774037462e+01 -1.185025096e+02 -1.185025096e+02 -3.790468293e+01 -3.790468293e+01 -1.276666282e+02 -1.276666282e+02 1.44 -6.398222789e+01 -6.398222789e+01 -1.123883118e+02 -1.123883118e+02 -3.530604161e+01 -3.530604161e+01 -1.209525605e+02 -1.209525605e+02 1.46 -6.066434661e+01 -6.066434661e+01 -1.062274933e+02 -1.062274933e+02 -3.271366622e+01 -3.271366622e+01 -1.144740871e+02 -1.144740871e+02 1.48 -5.759111618e+01 -5.759111618e+01 -9.997820095e+01 -9.997820095e+01 -3.002444944e+01 -3.002444944e+01 -1.081719423e+02 -1.081719423e+02 1.50 -5.469315281e+01 -5.469315281e+01 -9.372301340e+01 -9.372301340e+01 -2.720947761e+01 -2.720947761e+01 -1.020033539e+02 -1.020033539e+02 1.52 -5.195497381e+01 -5.195497381e+01 -8.759063678e+01 -8.759063678e+01 -2.431057588e+01 -2.431057588e+01 -9.593482560e+01 -9.593482560e+01 1.54 -4.934343914e+01 -4.934343914e+01 -8.167889453e+01 -8.167889453e+01 -2.141250381e+01 -2.141250381e+01 -8.994798044e+01 -8.994798044e+01 1.56 -4.679450743e+01 -4.679450743e+01 -7.602447794e+01 -7.602447794e+01 -1.859200139e+01 -1.859200139e+01 -8.404488149e+01 -8.404488149e+01 1.58 -4.424214350e+01 -4.424214350e+01 -7.061722522e+01 -7.061722522e+01 -1.588704727e+01 -1.588704727e+01 -7.824946746e+01 -7.824946746e+01 1.60 -4.167311921e+01 -4.167311921e+01 -6.543929194e+01 -6.543929194e+01 -1.329205319e+01 -1.329205319e+01 -7.258196556e+01 -7.258196556e+01 1.62 -3.908668480e+01 -3.908668480e+01 -6.047183271e+01 -6.047183271e+01 -1.077093299e+01 -1.077093299e+01 -6.705176627e+01 -6.705176627e+01 1.64 -3.647935895e+01 -3.647935895e+01 -5.574311301e+01 -5.574311301e+01 -8.330688471e+00 -8.330688471e+00 -6.166525617e+01 -6.166525617e+01 1.66 -3.385774148e+01 -3.385774148e+01 -5.127870728e+01 -5.127870728e+01 -6.185646200e+00 -6.185646200e+00 -5.645355501e+01 -5.645355501e+01 1.68 -3.121846496e+01 -3.121846496e+01 -4.706827264e+01 -4.706827264e+01 -4.454556449e+00 -4.454556449e+00 -5.147079878e+01 -5.147079878e+01 1.70 -2.856582907e+01 -2.856582907e+01 -4.310671109e+01 -4.310671109e+01 -3.083133098e+00 -3.083133098e+00 -4.678370657e+01 -4.678370657e+01 1.72 -2.591109940e+01 -2.591109940e+01 -3.940036891e+01 -3.940036891e+01 -2.026875816e+00 -2.026875816e+00 -4.244288174e+01 -4.244288174e+01 1.74 -2.327605762e+01 -2.327605762e+01 -3.594375919e+01 -3.594375919e+01 -1.239921350e+00 -1.239921350e+00 -3.844811319e+01 -3.844811319e+01 1.76 -2.070277794e+01 -2.070277794e+01 -3.273027807e+01 -3.273027807e+01 -6.773605211e-01 -6.773605211e-01 -3.477865382e+01 -3.477865382e+01 1.78 -1.822163621e+01 -1.822163621e+01 -2.973325127e+01 -2.973325127e+01 -2.921149533e-01 -2.921149533e-01 -3.141113691e+01 -3.141113691e+01 1.80 -1.584036496e+01 -1.584036496e+01 -2.691461490e+01 -2.691461490e+01 -4.047185530e-02 -4.047185530e-02 -2.833070319e+01 -2.833070319e+01 1.82 -1.355190698e+01 -1.355190698e+01 -2.424083678e+01 -2.424083678e+01 1.152145183e-01 1.152145183e-01 -2.552730921e+01 -2.552730921e+01 1.84 -1.134661361e+01 -1.134661361e+01 -2.169316303e+01 -2.169316303e+01 2.077803765e-01 2.077803765e-01 -2.298625590e+01 -2.298625590e+01 1.86 -9.224080918e+00 -9.224080918e+00 -1.928033033e+01 -1.928033033e+01 2.526622680e-01 2.526622680e-01 -2.069038380e+01 -2.069038380e+01 1.88 -7.224882871e+00 -7.224882871e+00 -1.701055648e+01 -1.701055648e+01 2.278069912e-01 2.278069912e-01 -1.861691303e+01 -1.861691303e+01 1.90 -5.613888001e+00 -5.613888001e+00 -1.487502810e+01 -1.487502810e+01 1.320185693e-01 1.320185693e-01 -1.674052633e+01 -1.674052633e+01 1.92 -4.385662434e+00 -4.385662434e+00 -1.285223502e+01 -1.285223502e+01 -8.824929923e-03 -8.824929923e-03 -1.504324648e+01 -1.504324648e+01 1.94 -3.459465098e+00 -3.459465098e+00 -1.092629970e+01 -1.092629970e+01 -1.720983297e-01 -1.720983297e-01 -1.351140765e+01 -1.351140765e+01 1.96 -2.774947166e+00 -2.774947166e+00 -9.101943800e+00 -9.101943800e+00 -3.377737073e-01 -3.377737073e-01 -1.212532490e+01 -1.212532490e+01 1.98 -2.287573410e+00 -2.287573410e+00 -7.393125807e+00 -7.393125807e+00 -4.972029062e-01 -4.972029062e-01 -1.084642005e+01 -1.084642005e+01 2.00 -1.961239823e+00 -1.961239823e+00 -5.900937027e+00 -5.900937027e+00 -6.499521546e-01 -6.499521546e-01 -9.630162732e+00 -9.630162732e+00 2.02 -1.765076227e+00 -1.765076227e+00 -4.830478305e+00 -4.830478305e+00 -7.962102400e-01 -7.962102400e-01 -8.440632325e+00 -8.440632325e+00 2.04 -1.670171973e+00 -1.670171973e+00 -4.105881336e+00 -4.105881336e+00 -9.362720655e-01 -9.362720655e-01 -7.265830256e+00 -7.265830256e+00 2.06 -1.650914210e+00 -1.650914210e+00 -3.635796298e+00 -3.635796298e+00 -1.070431237e+00 -1.070431237e+00 -6.157285705e+00 -6.157285705e+00 2.08 -1.685281337e+00 -1.685281337e+00 -3.346085502e+00 -3.346085502e+00 -1.198987728e+00 -1.198987728e+00 -5.255664807e+00 -5.255664807e+00 2.10 -1.754577129e+00 -1.754577129e+00 -3.180915873e+00 -3.180915873e+00 -1.322328204e+00 -1.322328204e+00 -4.557789450e+00 -4.557789450e+00 2.12 -1.845105875e+00 -1.845105875e+00 -3.100973366e+00 -3.100973366e+00 -1.440998992e+00 -1.440998992e+00 -4.042635921e+00 -4.042635921e+00 2.14 -1.959147398e+00 -1.959147398e+00 -3.080600892e+00 -3.080600892e+00 -1.555538959e+00 -1.555538959e+00 -3.681911113e+00 -3.681911113e+00 2.16 -2.100203635e+00 -2.100203635e+00 -3.102626845e+00 -3.102626845e+00 -1.666175088e+00 -1.666175088e+00 -3.445520626e+00 -3.445520626e+00 2.18 -2.262212485e+00 -2.262212485e+00 -3.153980748e+00 -3.153980748e+00 -1.772285231e+00 -1.772285231e+00 -3.304821028e+00 -3.304821028e+00 2.20 -2.432180820e+00 -2.432180820e+00 -3.222510258e+00 -3.222510258e+00 -1.872303821e+00 -1.872303821e+00 -3.235488637e+00 -3.235488637e+00 2.22 -2.600262680e+00 -2.600262680e+00 -3.298111251e+00 -3.298111251e+00 -1.964787007e+00 -1.964787007e+00 -3.218158813e+00 -3.218158813e+00 2.24 -2.760097173e+00 -2.760097173e+00 -3.374606667e+00 -3.374606667e+00 -2.049646228e+00 -2.049646228e+00 -3.238907450e+00 -3.238907450e+00 2.26 -2.905891760e+00 -2.905891760e+00 -3.447006674e+00 -3.447006674e+00 -2.127006307e+00 -2.127006307e+00 -3.286095340e+00 -3.286095340e+00 2.28 -3.032209663e+00 -3.032209663e+00 -3.511929836e+00 -3.511929836e+00 -2.197129910e+00 -2.197129910e+00 -3.349201217e+00 -3.349201217e+00 2.30 -3.135683705e+00 -3.135683705e+00 -3.567660882e+00 -3.567660882e+00 -2.260393882e+00 -2.260393882e+00 -3.419199454e+00 -3.419199454e+00 2.32 -3.216268606e+00 -3.216268606e+00 -3.613871123e+00 -3.613871123e+00 -2.317280778e+00 -2.317280778e+00 -3.488673639e+00 -3.488673639e+00 2.34 -3.275136259e+00 -3.275136259e+00 -3.652026126e+00 -3.652026126e+00 -2.368124944e+00 -2.368124944e+00 -3.552255429e+00 -3.552255429e+00 2.36 -3.314596850e+00 -3.314596850e+00 -3.684288506e+00 -3.684288506e+00 -2.413101811e+00 -2.413101811e+00 -3.606471701e+00 -3.606471701e+00 2.38 -3.337899232e+00 -3.337899232e+00 -3.712970386e+00 -3.712970386e+00 -2.452314687e+00 -2.452314687e+00 -3.649354513e+00 -3.649354513e+00 2.40 -3.348604780e+00 -3.348604780e+00 -3.740218663e+00 -3.740218663e+00 -2.485745047e+00 -2.485745047e+00 -3.680460318e+00 -3.680460318e+00 2.42 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