A force field specifically constructed for model assessment is known as the Effective Force Field ( EFF ) and is based on atomic parameters from CHARMM.
2.
Crystal structures are republished owing to corrections for symmetry errors, improvements of lattice and atomic parameters, and differences in diffraction technique or experimental conditions.
3.
Here, the parameter " u " should be regarded as a free atomic parameter that takes different values in different pyrite-structure compounds ( iron pyrite FeS 2 : " u " ( S ) = 0.385 ).
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