{
  "meta": {
    "scope": "Original fictional computed states, not measurements, typical aquarium compositions, preparation instructions or treatment targets. No gas or mineral phase is equilibrated unless specifically stated.",
    "execution": "Local deterministic geochemical calculation; no external AI/model API or provider credentials.",
    "wrapper": "phreeqpython 1.6.2",
    "database": "bundled phreeqc.dat, explicitly selected instead of default vitens.dat",
    "databaseSha256": "6bb5ebc1d0ecca0e921c13a2241d05d3a3333b142d1d740b2ed03a786442bdf5",
    "temperatureC": 25,
    "pressureAtm": 1,
    "inputUnitBasis": "mmol/L with density calculate; alkalinity input in equivalent mmol/L",
    "outputConversion": "molality times solvent kg divided by computed solution volume L; do not assume mol/kg water equals mol/L.",
    "carbonAtomicMassConvention": 12.0111,
    "checks": "Carbon species mass sum, manual species charge sum, manual carbonate+water+borate alkalinity sum, and calcite SI reconstructed from activities and phase logK. Water-mass scaling independently checked."
  },
  "cases": {
    "partition_borate_case": {
      "input": {
        "temp": 25,
        "pressure": 1,
        "density": "1 calculate",
        "units": "mmol/L",
        "water": 1,
        "pH": 9,
        "Alkalinity": 2,
        "B": 1.0324252574007702,
        "Na": "2 charge"
      },
      "pH": 9.0,
      "waterKg": 1.0,
      "volumeL": 1.0030234052946767,
      "densityKgL": 0.9971880810236052,
      "alkalinityMeqL": 1.9999999999813682,
      "dicMmolL": 1.5224702381191564,
      "carbonMgL": 18.286542277073,
      "carbonateAlkalinityMeqL": 1.599999999981371,
      "waterAlkalinityMeqL": 0.010616119982169044,
      "borateAlkalinityMeqL": 0.38938388001782875,
      "calciumMmolL": 0.0,
      "sodiumMmolL": 1.9999999999813691,
      "chlorideMmolL": 0.0,
      "boronMmolL": 1.032425257391152,
      "calciteSI": null,
      "speciesMmolL": {
        "(CO2)2": 1.740700994666324e-10,
        "CO2": 0.0030741355957849023,
        "CO3-2": 0.07821135765116383,
        "H+": 1.0451742072922733e-06,
        "H2BO3-": 0.38938388001782875,
        "H3BO3": 0.6430413773733233,
        "HCO3-": 1.437328091477226,
        "NaCO3-": 0.002392540154975818,
        "NaHCO3": 0.0014641128918657506,
        "OH-": 0.010617165156374416
      },
      "checks": {
        "carbonBalanceResidualMolKg": 2.168404344971009e-19,
        "manualChargeResidualEq": 2.7988607283436127e-19,
        "manualAlkalinityResidualEqKg": 8.673617379884035e-19,
        "independentCalciteSI": null,
        "massAction": {
          "bicarbonateLogResidual": 0.0,
          "co2LogResidual": 0.0
        }
      }
    }
  }
}