{
  "source": "Modal GROMACS GAFF2 single-seed slab (FS-followup 2026-06-10)",
  "candidates": {
    "C[Si]12O[Si](O1)(O2)C": {
      "name": "top 3-prok siloxane lead (oxygen-rich bicyclic Si-O cage, MW 134)",
      "sigma_mNm_md": 22.27, "density_kgm3_md": 1109.0, "T_K": 298.15, "n_seeds": 1,
      "note": "MD sigma 22.27 is ABOVE the methylsiloxane class estimate (17.5): this lead is O-rich (3-4 O per molecule), hence more polar + denser than a simple methylsiloxane. Implication: the genus's NON-polar methyl-siloxane members (sigma ~16-18) still cannot carry a Marangoni pump, but the O-rich cage leads are intermediate and merit a direct fuel+pump miscibility check."
    }
  },
  "honesty": "Single-seed GAFF2 MD surface tension; preliminary (n=1). Computational, not measured."
}