# 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 = FId2Rb # 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 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 4.021962329e+06 4.021962329e+06 1.42 3.245446697e+06 3.245446697e+06 1.44 2.626581279e+06 2.626581279e+06 1.46 2.131819252e+06 2.131819252e+06 1.48 1.735073666e+06 1.735073666e+06 1.50 1.415987957e+06 1.415987957e+06 1.52 1.158624800e+06 1.158624800e+06 1.54 9.504652472e+05 9.504652472e+05 1.56 7.816452439e+05 7.816452439e+05 1.58 6.443681291e+05 6.443681291e+05 1.60 5.324529655e+05 5.324529655e+05 1.62 4.409854065e+05 4.409854065e+05 1.64 3.660469760e+05 3.660469760e+05 1.66 3.045046214e+05 3.045046214e+05 1.68 2.538464891e+05 2.538464891e+05 1.70 2.120532466e+05 2.120532466e+05 1.72 1.774975626e+05 1.774975626e+05 1.74 1.488646810e+05 1.488646810e+05 1.76 1.250896153e+05 1.250896153e+05 1.78 1.053077671e+05 1.053077671e+05 1.80 8.881555636e+04 8.881555636e+04 1.82 7.503914378e+04 7.503914378e+04 1.84 6.350936545e+04 6.350936545e+04 1.86 5.384190898e+04 5.384190898e+04 1.88 4.572125761e+04 4.572125761e+04 1.90 3.888785630e+04 3.888785630e+04 1.92 3.312766143e+04 3.312766143e+04 1.94 2.826389991e+04 2.826389991e+04 1.96 2.415027139e+04 2.415027139e+04 1.98 2.066545941e+04 2.066545941e+04 2.00 1.770869184e+04 1.770869184e+04 2.02 1.519606535e+04 1.519606535e+04 2.04 1.305764608e+04 1.305764608e+04 2.06 1.123501749e+04 1.123501749e+04 2.08 9.679303902e+03 9.679303902e+03 2.10 8.349545042e+03 8.349545042e+03 2.12 7.211357237e+03 7.211357237e+03 2.14 6.235822621e+03 6.235822621e+03 2.16 5.398594474e+03 5.398594474e+03 2.18 4.679136523e+03 4.679136523e+03 2.20 4.060099715e+03 4.060099715e+03 2.22 3.526804443e+03 3.526804443e+03 2.24 3.066827915e+03 3.066827915e+03 2.26 2.669622060e+03 2.669622060e+03 2.28 2.326217390e+03 2.326217390e+03 2.30 2.028989444e+03 2.028989444e+03 2.32 1.771442863e+03 1.771442863e+03 2.34 1.548037049e+03 1.548037049e+03 2.36 1.354039789e+03 1.354039789e+03 2.38 1.185403740e+03 1.185403740e+03 2.40 1.038663689e+03 1.038663689e+03 2.42 9.108513697e+02 9.108513697e+02 2.44 7.994142089e+02 7.994142089e+02 2.46 7.021608574e+02 7.021608574e+02 2.48 6.172066378e+02 6.172066378e+02 2.50 5.429282248e+02 5.429282248e+02 2.52 4.779257597e+02 4.779257597e+02 2.54 4.209910501e+02 4.209910501e+02 2.56 3.710802152e+02 3.710802152e+02 2.58 3.272902680e+02 3.272902680e+02 2.60 2.888387949e+02 2.888387949e+02 2.62 2.550485732e+02 2.550485732e+02 2.64 2.253326309e+02 2.253326309e+02 2.66 1.991789247e+02 1.991789247e+02 2.68 1.761437300e+02 1.761437300e+02 2.70 1.558410749e+02 1.558410749e+02 2.72 1.379344320e+02 1.379344320e+02 2.74 1.221304228e+02 1.221304228e+02 2.76 1.081730501e+02 1.081730501e+02 2.78 9.583873224e+01 9.583873224e+01 2.80 8.493202480e+01 8.493202480e+01 2.82 7.528192850e+01 7.528192850e+01 2.84 6.673857480e+01 6.673857480e+01 2.86 5.917036397e+01 5.917036397e+01 2.88 5.246301022e+01 5.246301022e+01 2.90 4.651535837e+01 4.651535837e+01 2.92 4.123930452e+01 4.123930452e+01 2.94 3.655585497e+01 3.655585497e+01 2.96 3.239576353e+01 3.239576353e+01 2.98 2.869902549e+01 2.869902549e+01 3.00 2.541273962e+01 2.541273962e+01 3.02 2.248997057e+01 2.248997057e+01 3.04 1.988930875e+01 1.988930875e+01 3.06 1.757421632e+01 1.757421632e+01 3.08 1.551243487e+01 1.551243487e+01 3.10 1.367546312e+01 1.367546312e+01 3.12 1.203805764e+01 1.203805764e+01 3.14 1.057804502e+01 1.057804502e+01 3.16 9.275741600e+00 9.275741600e+00 3.18 8.113611475e+00 8.113611475e+00 3.20 7.076238867e+00 7.076238867e+00 3.22 6.150107330e+00 6.150107330e+00 3.24 5.323110784e+00 5.323110784e+00 3.26 4.584523204e+00 4.584523204e+00 3.28 3.924837188e+00 3.924837188e+00 3.30 3.335620673e+00 3.335620673e+00 3.32 2.809531507e+00 2.809531507e+00 3.34 2.339723558e+00 2.339723558e+00 3.36 1.920348596e+00 1.920348596e+00 3.38 1.546160288e+00 1.546160288e+00 3.40 1.212489403e+00 1.212489403e+00 3.42 9.151760801e-01 9.151760801e-01 3.44 6.505100554e-01 6.505100554e-01 3.46 4.151779598e-01 4.151779598e-01 3.48 2.062166039e-01 2.062166039e-01 3.50 2.046547688e-02 2.046547688e-02 3.52 -1.438587439e-01 -1.438587439e-01 3.54 -2.888729834e-01 -2.888729834e-01 3.56 -4.165236539e-01 -4.165236539e-01 3.58 -5.285623193e-01 -5.285623193e-01 3.60 -6.265682488e-01 -6.265682488e-01 3.62 -7.119674657e-01 -7.119674657e-01 3.64 -7.860493914e-01 -7.860493914e-01 3.66 -8.499813669e-01 -8.499813669e-01 3.68 -9.049883611e-01 -9.049883611e-01 3.70 -9.519686774e-01 -9.519686774e-01 3.72 -9.916227190e-01 -9.916227190e-01 3.74 -1.024752174e+00 -1.024752174e+00 3.76 -1.052084536e+00 -1.052084536e+00 3.78 -1.074279050e+00 -1.074279050e+00 3.80 -1.091932228e+00 -1.091932228e+00 3.82 -1.105609021e+00 -1.105609021e+00 3.84 -1.115771355e+00 -1.115771355e+00 3.86 -1.122849276e+00 -1.122849276e+00 3.88 -1.127236200e+00 -1.127236200e+00 3.90 -1.129284053e+00 -1.129284053e+00 3.92 -1.129306503e+00 -1.129306503e+00 3.94 -1.127575570e+00 -1.127575570e+00 3.96 -1.124329105e+00 -1.124329105e+00 3.98 -1.119800710e+00 -1.119800710e+00 4.00 -1.114179800e+00 -1.114179800e+00 4.02 -1.107630263e+00 -1.107630263e+00 4.04 -1.100293635e+00 -1.100293635e+00 4.06 -1.092290458e+00 -1.092290458e+00 4.08 -1.083724733e+00 -1.083724733e+00 4.10 -1.074684345e+00 -1.074684345e+00 4.12 -1.065242588e+00 -1.065242588e+00 4.14 -1.055460451e+00 -1.055460451e+00 4.16 -1.045388281e+00 -1.045388281e+00 4.18 -1.035067308e+00 -1.035067308e+00 4.20 -1.024531044e+00 -1.024531044e+00 4.22 -1.013806542e+00 -1.013806542e+00 4.24 -1.002965981e+00 -1.002965981e+00 4.26 -9.919745524e-01 -9.919745524e-01 4.28 -9.808388724e-01 -9.808388724e-01 4.30 -9.695714352e-01 -9.695714352e-01 4.32 -9.581823705e-01 -9.581823705e-01 4.34 -9.466802316e-01 -9.466802316e-01 4.36 -9.350721900e-01 -9.350721900e-01 4.38 -9.233644260e-01 -9.233644260e-01 4.40 -9.115624095e-01 -9.115624095e-01 4.42 -8.996710937e-01 -8.996710937e-01 4.44 -8.876950506e-01 -8.876950506e-01 4.46 -8.756385600e-01 -8.756385600e-01 4.48 -8.635056597e-01 -8.635056597e-01 4.50 -8.515208024e-01 -8.515208024e-01 4.52 -8.394979245e-01 -8.394979245e-01 4.54 -8.273546963e-01 -8.273546963e-01 4.56 -8.151036132e-01 -8.151036132e-01 4.58 -8.027555279e-01 -8.027555279e-01 4.60 -7.903197843e-01 -7.903197843e-01 4.62 -7.778043470e-01 -7.778043470e-01 4.64 -7.652159293e-01 -7.652159293e-01 4.66 -7.525601188e-01 -7.525601188e-01 4.68 -7.398415018e-01 -7.398415018e-01 4.70 -7.270637870e-01 -7.270637870e-01 4.72 -7.142299280e-01 -7.142299280e-01 4.74 -7.013422456e-01 -7.013422456e-01 4.76 -6.884025491e-01 -6.884025491e-01 4.78 -6.754122566e-01 -6.754122566e-01 4.80 -6.623725138e-01 -6.623725138e-01 4.82 -6.492843108e-01 -6.492843108e-01 4.84 -6.361485963e-01 -6.361485963e-01 4.86 -6.229663883e-01 -6.229663883e-01 4.88 -6.097388815e-01 -6.097388815e-01 4.90 -5.964675483e-01 -5.964675483e-01 4.92 -5.831542352e-01 -5.831542352e-01 4.94 -5.698012515e-01 -5.698012515e-01 4.96 -5.564105903e-01 -5.564105903e-01 4.98 -5.429860737e-01 -5.429860737e-01 5.00 -5.295325510e-01 -5.295325510e-01 5.02 -5.160548871e-01 -5.160548871e-01 5.04 -5.025587249e-01 -5.025587249e-01 5.06 -4.890505165e-01 -4.890505165e-01 5.08 -4.755375415e-01 -4.755375415e-01 5.10 -4.620279146e-01 -4.620279146e-01 5.12 -4.485305796e-01 -4.485305796e-01 5.14 -4.350552921e-01 -4.350552921e-01 5.16 -4.216125900e-01 -4.216125900e-01 5.18 -4.082130658e-01 -4.082130658e-01 5.20 -3.948687536e-01 -3.948687536e-01 5.22 -3.815930620e-01 -3.815930620e-01 5.24 -3.683991142e-01 -3.683991142e-01 5.26 -3.553005062e-01 -3.553005062e-01 5.28 -3.423112177e-01 -3.423112177e-01 5.30 -3.294455163e-01 -3.294455163e-01 5.32 -3.167178573e-01 -3.167178573e-01 5.34 -3.041427784e-01 -3.041427784e-01 5.36 -2.917347936e-01 -2.917347936e-01 5.38 -2.795089009e-01 -2.795089009e-01 5.40 -2.674788080e-01 -2.674788080e-01 5.42 -2.556579878e-01 -2.556579878e-01 5.44 -2.440598075e-01 -2.440598075e-01 5.46 -2.326970862e-01 -2.326970862e-01 5.48 -2.215820028e-01 -2.215820028e-01 5.50 -2.107260102e-01 -2.107260102e-01 5.52 -2.001397566e-01 -2.001397566e-01 5.54 -1.898330159e-01 -1.898330159e-01 5.56 -1.798146267e-01 -1.798146267e-01 5.58 -1.700924406e-01 -1.700924406e-01 5.60 -1.606732815e-01 -1.606732815e-01 5.62 -1.515629132e-01 -1.515629132e-01 5.64 -1.427660193e-01 -1.427660193e-01 5.66 -1.342861912e-01 -1.342861912e-01 5.68 -1.261259276e-01 -1.261259276e-01 5.70 -1.182866426e-01 -1.182866426e-01 5.72 -1.107686831e-01 -1.107686831e-01 5.74 -1.035713548e-01 -1.035713548e-01 5.76 -9.669295632e-02 -9.669295632e-02 5.78 -9.013081972e-02 -9.013081972e-02 5.80 -8.388135834e-02 -8.388135834e-02 5.82 -7.794011955e-02 -7.794011955e-02 5.84 -7.230184247e-02 -7.230184247e-02 5.86 -6.696051957e-02 -6.696051957e-02 5.88 -6.190946117e-02 -6.190946117e-02 5.90 -5.714136222e-02 -5.714136222e-02 5.92 -5.264837042e-02 -5.264837042e-02 5.94 -4.842215489e-02 -4.842215489e-02 5.96 -4.445397476e-02 -4.445397476e-02 5.98 -4.073474690e-02 -4.073474690e-02 6.00 -3.725511226e-02 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