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  • Ab initio trajectories for the equilibrated MgO-SiO2-H2O melts at T = 1800 K and 3000 K are provided as "XDATCAR" files output directly from VASP for each simulation interval. Corresponding stress tensor components, required for calculation of viscosity via the autocorrelation function, together with the energy, temperature, and pressure are also provided for each iteration of the equilibrated trajectories. A full data inventory is provided in the READ_ME.txt file.

  • This data set contains micromagnetic simulation results of magnetosome chains with different bending or collapse degrees, including finite element models and various magnetic parameters (hysteresis loops, isothermal remanent magnetism curves, and first-order reversal curves and energy barriers). Published in Pei et al. (2022; doi: 10.1029/2021JB023447)