# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = ClFLi2 # 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 1.694731048e+04 1.694731048e+04 1.20 1.356054149e+04 1.356054149e+04 1.22 1.088870498e+04 1.088870498e+04 1.24 8.772665452e+03 8.772665452e+03 1.26 7.090957341e+03 7.090957341e+03 1.28 5.749617258e+03 5.749617258e+03 1.30 4.676249921e+03 4.676249921e+03 1.32 3.814398719e+03 3.814398719e+03 1.34 3.119884046e+03 3.119884046e+03 1.36 2.558731155e+03 2.558731155e+03 1.38 2.103987188e+03 2.103987188e+03 1.40 1.734345591e+03 1.734345591e+03 1.42 1.433056595e+03 1.433056595e+03 1.44 1.186817753e+03 1.186817753e+03 1.46 9.850031375e+02 9.850031375e+02 1.48 8.191920224e+02 8.191920224e+02 1.50 6.826404475e+02 6.826404475e+02 1.52 5.699175145e+02 5.699175145e+02 1.54 4.766480046e+02 4.766480046e+02 1.56 3.993047693e+02 3.993047693e+02 1.58 3.349760334e+02 3.349760334e+02 1.60 2.813619739e+02 2.813619739e+02 1.62 2.366038827e+02 2.366038827e+02 1.64 1.991879361e+02 1.991879361e+02 1.66 1.678482721e+02 1.678482721e+02 1.68 1.415498594e+02 1.415498594e+02 1.70 1.194217795e+02 1.194217795e+02 1.72 1.007897830e+02 1.007897830e+02 1.74 8.507768464e+01 8.507768464e+01 1.76 7.180400938e+01 7.180400938e+01 1.78 6.057468202e+01 6.057468202e+01 1.80 5.106294746e+01 5.106294746e+01 1.82 4.298748052e+01 4.298748052e+01 1.84 3.612107564e+01 3.612107564e+01 1.86 3.028255933e+01 3.028255933e+01 1.88 2.531703328e+01 2.531703328e+01 1.90 2.108998888e+01 2.108998888e+01 1.92 1.748828522e+01 1.748828522e+01 1.94 1.441659486e+01 1.441659486e+01 1.96 1.179473589e+01 1.179473589e+01 1.98 9.554865497e+00 9.554865497e+00 2.00 7.638904172e+00 7.638904172e+00 2.02 5.998221499e+00 5.998221499e+00 2.04 4.589473246e+00 4.589473246e+00 2.06 3.378993189e+00 3.378993189e+00 2.08 2.341228755e+00 2.341228755e+00 2.10 1.450508403e+00 1.450508403e+00 2.12 6.853143538e-01 6.853143538e-01 2.14 2.699930422e-02 2.699930422e-02 2.16 -5.402844177e-01 -5.402844177e-01 2.18 -1.030562081e+00 -1.030562081e+00 2.20 -1.451953576e+00 -1.451953576e+00 2.22 -1.813463736e+00 -1.813463736e+00 2.24 -2.122978693e+00 -2.122978693e+00 2.26 -2.387159059e+00 -2.387159059e+00 2.28 -2.611652474e+00 -2.611652474e+00 2.30 -2.801272273e+00 -2.801272273e+00 2.32 -2.960960412e+00 -2.960960412e+00 2.34 -3.095134153e+00 -3.095134153e+00 2.36 -3.205832972e+00 -3.205832972e+00 2.38 -3.295075366e+00 -3.295075366e+00 2.40 -3.364737639e+00 -3.364737639e+00 2.42 -3.416809903e+00 -3.416809903e+00 2.44 -3.453626751e+00 -3.453626751e+00 2.46 -3.477482603e+00 -3.477482603e+00 2.48 -3.488933199e+00 -3.488933199e+00 2.50 -3.489509752e+00 -3.489509752e+00 2.52 -3.480557557e+00 -3.480557557e+00 2.54 -3.463303806e+00 -3.463303806e+00 2.56 -3.438813539e+00 -3.438813539e+00 2.58 -3.408031806e+00 -3.408031806e+00 2.60 -3.371797819e+00 -3.371797819e+00 2.62 -3.330942524e+00 -3.330942524e+00 2.64 -3.286157185e+00 -3.286157185e+00 2.66 -3.237862064e+00 -3.237862064e+00 2.68 -3.186567635e+00 -3.186567635e+00 2.70 -3.132773703e+00 -3.132773703e+00 2.72 -3.076915393e+00 -3.076915393e+00 2.74 -3.019363191e+00 -3.019363191e+00 2.76 -2.960558357e+00 -2.960558357e+00 2.78 -2.901103953e+00 -2.901103953e+00 2.80 -2.840748938e+00 -2.840748938e+00 2.82 -2.779734015e+00 -2.779734015e+00 2.84 -2.718374524e+00 -2.718374524e+00 2.86 -2.657255613e+00 -2.657255613e+00 2.88 -2.595982891e+00 -2.595982891e+00 2.90 -2.534636392e+00 -2.534636392e+00 2.92 -2.473351513e+00 -2.473351513e+00 2.94 -2.412254235e+00 -2.412254235e+00 2.96 -2.351452847e+00 -2.351452847e+00 2.98 -2.291040305e+00 -2.291040305e+00 3.00 -2.231096346e+00 -2.231096346e+00 3.02 -2.171689373e+00 -2.171689373e+00 3.04 -2.113005433e+00 -2.113005433e+00 3.06 -2.054970051e+00 -2.054970051e+00 3.08 -1.997591116e+00 -1.997591116e+00 3.10 -1.940914529e+00 -1.940914529e+00 3.12 -1.884978737e+00 -1.884978737e+00 3.14 -1.829875683e+00 -1.829875683e+00 3.16 -1.775800759e+00 -1.775800759e+00 3.18 -1.722546534e+00 -1.722546534e+00 3.20 -1.670079299e+00 -1.670079299e+00 3.22 -1.618439436e+00 -1.618439436e+00 3.24 -1.567664248e+00 -1.567664248e+00 3.26 -1.517788897e+00 -1.517788897e+00 3.28 -1.468845564e+00 -1.468845564e+00 3.30 -1.420868670e+00 -1.420868670e+00 3.32 -1.373891504e+00 -1.373891504e+00 3.34 -1.327946462e+00 -1.327946462e+00 3.36 -1.283065700e+00 -1.283065700e+00 3.38 -1.239280899e+00 -1.239280899e+00 3.40 -1.196622848e+00 -1.196622848e+00 3.42 -1.155120891e+00 -1.155120891e+00 3.44 -1.114802260e+00 -1.114802260e+00 3.46 -1.075691339e+00 -1.075691339e+00 3.48 -1.037808915e+00 -1.037808915e+00 3.50 -1.001171440e+00 -1.001171440e+00 3.52 -9.657903595e-01 -9.657903595e-01 3.54 -9.316711204e-01 -9.316711204e-01 3.56 -8.988135069e-01 -8.988135069e-01 3.58 -8.672116964e-01 -8.672116964e-01 3.60 -8.368527599e-01 -8.368527599e-01 3.62 -8.077173783e-01 -8.077173783e-01 3.64 -7.798873949e-01 -7.798873949e-01 3.66 -7.532189762e-01 -7.532189762e-01 3.68 -7.276659482e-01 -7.276659482e-01 3.70 -7.033138801e-01 -7.033138801e-01 3.72 -6.801269986e-01 -6.801269986e-01 3.74 -6.579094562e-01 -6.579094562e-01 3.76 -6.365738766e-01 -6.365738766e-01 3.78 -6.160778578e-01 -6.160778578e-01 3.80 -5.963768248e-01 -5.963768248e-01 3.82 -5.774249119e-01 -5.774249119e-01 3.84 -5.591757720e-01 -5.591757720e-01 3.86 -5.415832993e-01 -5.415832993e-01 3.88 -5.246022565e-01 -5.246022565e-01 3.90 -5.081888005e-01 -5.081888005e-01 3.92 -4.923009086e-01 -4.923009086e-01 3.94 -4.768987079e-01 -4.768987079e-01 3.96 -4.619447154e-01 -4.619447154e-01 3.98 -4.474039974e-01 -4.474039974e-01 4.00 -4.332442588e-01 -4.332442588e-01 4.02 -4.194358744e-01 -4.194358744e-01 4.04 -4.061825596e-01 -4.061825596e-01 4.06 -3.932094246e-01 -3.932094246e-01 4.08 -3.804653518e-01 -3.804653518e-01 4.10 -3.679401398e-01 -3.679401398e-01 4.12 -3.556244397e-01 -3.556244397e-01 4.14 -3.435098119e-01 -3.435098119e-01 4.16 -3.315887751e-01 -3.315887751e-01 4.18 -3.198548493e-01 -3.198548493e-01 4.20 -3.083025909e-01 -3.083025909e-01 4.22 -2.969276179e-01 -2.969276179e-01 4.24 -2.857266266e-01 -2.857266266e-01 4.26 -2.746973966e-01 -2.746973966e-01 4.28 -2.638387856e-01 -2.638387856e-01 4.30 -2.531507112e-01 -2.531507112e-01 4.32 -2.426341052e-01 -2.426341052e-01 4.34 -2.322906626e-01 -2.322906626e-01 4.36 -2.221234685e-01 -2.221234685e-01 4.38 -2.121363606e-01 -2.121363606e-01 4.40 -2.023338555e-01 -2.023338555e-01 4.42 -1.927211701e-01 -1.927211701e-01 4.44 -1.833041229e-01 -1.833041229e-01 4.46 -1.740890262e-01 -1.740890262e-01 4.48 -1.650825716e-01 -1.650825716e-01 4.50 -1.562927358e-01 -1.562927358e-01 4.52 -1.479550517e-01 -1.479550517e-01 4.54 -1.398162710e-01 -1.398162710e-01 4.56 -1.318858885e-01 -1.318858885e-01 4.58 -1.241738462e-01 -1.241738462e-01 4.60 -1.166894140e-01 -1.166894140e-01 4.62 -1.094410205e-01 -1.094410205e-01 4.64 -1.024356752e-01 -1.024356752e-01 4.66 -9.568099268e-02 -9.568099268e-02 4.68 -8.918272303e-02 -8.918272303e-02 4.70 -8.294558089e-02 -8.294558089e-02 4.72 -7.697320275e-02 -7.697320275e-02 4.74 -7.126811700e-02 -7.126811700e-02 4.76 -6.583172705e-02 -6.583172705e-02 4.78 -6.066430763e-02 -6.066430763e-02 4.80 -5.576501438e-02 -5.576501438e-02 4.82 -5.113190637e-02 -5.113190637e-02 4.84 -4.676198085e-02 -4.676198085e-02 4.86 -4.265121970e-02 -4.265121970e-02 4.88 -3.879464628e-02 -3.879464628e-02 4.90 -3.518639176e-02 -3.518639176e-02 4.92 -3.181976940e-02 -3.181976940e-02 4.94 -2.868735560e-02 -2.868735560e-02 4.96 -2.578107598e-02 -2.578107598e-02 4.98 -2.309229516e-02 -2.309229516e-02 5.00 -2.061190867e-02 -2.061190867e-02 5.02 -1.833043548e-02 -1.833043548e-02 5.04 -1.623810981e-02 -1.623810981e-02 5.06 -1.432497087e-02 -1.432497087e-02 5.08 -1.258094933e-02 -1.258094933e-02 5.10 -1.099594955e-02 -1.099594955e-02 5.12 -9.559926511e-03 -9.559926511e-03 5.14 -8.262956854e-03 -8.262956854e-03 5.16 -7.095303356e-03 -7.095303356e-03 5.18 -6.047472436e-03 -6.047472436e-03 5.20 -5.110264439e-03 -5.110264439e-03 5.22 -4.274816568e-03 -4.274816568e-03 5.24 -3.538036263e-03 -3.538036263e-03 5.26 -2.953315941e-03 -2.953315941e-03 5.28 -2.435869673e-03 -2.435869673e-03 5.30 -1.979703344e-03 -1.979703344e-03 5.32 -1.579052149e-03 -1.579052149e-03 5.34 -1.228503787e-03 -1.228503787e-03 5.36 -9.230037939e-04 -9.230037939e-04 5.38 -6.578561097e-04 -6.578561097e-04 5.40 -4.287194504e-04 -4.287194504e-04 5.42 -2.316000462e-04 -2.316000462e-04 5.44 -6.285728970e-05 -6.285728970e-05 5.46 -1.280834268e-05 -1.280834268e-05 5.48 -1.115117645e-05 -1.115117645e-05 5.50 -9.683070432e-06 -9.683070432e-06 5.52 -8.385042370e-06 -8.385042370e-06 5.54 -7.239748075e-06 -7.239748075e-06 5.56 -6.231367549e-06 -6.231367549e-06 5.58 -5.345496270e-06 -5.345496270e-06 5.60 -4.569041655e-06 -4.569041655e-06 5.62 -3.890124748e-06 -3.890124748e-06 5.64 -3.297987087e-06 -3.297987087e-06 5.66 -2.782902722e-06 -2.782902722e-06 5.68 -2.336095292e-06 -2.336095292e-06 5.70 -1.949660077e-06 -1.949660077e-06 5.72 -1.616490894e-06 -1.616490894e-06 5.74 -1.330211706e-06 -1.330211706e-06 5.76 -1.085112779e-06 -1.085112779e-06 5.78 -8.760912407e-07 -8.760912407e-07 5.80 -6.985958508e-07 -6.985958508e-07 5.82 -5.485758042e-07 -5.485758042e-07 5.84 -4.224333826e-07 -4.224333826e-07 5.86 -3.169802610e-07 -3.169802610e-07 5.88 -2.293972768e-07 -2.293972768e-07 5.90 -1.571974682e-07 -1.571974682e-07 5.92 -9.819219347e-08 -9.819219347e-08 5.94 -5.046013940e-08 -5.046013940e-08 5.96 -1.231903727e-08 -1.231903727e-08 5.98 1.018297244e-08 1.018297244e-08 6.00 7.685951214e-09 7.685951214e-09