{
  "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": {
    "hardness_chloride": {
      "input": {
        "temp": 25,
        "pressure": 1,
        "density": "1 calculate",
        "units": "mmol/L",
        "water": 1,
        "pH": "7 charge",
        "Ca": 1,
        "Cl": 2
      },
      "pH": 6.9934620579255835,
      "waterKg": 1.0,
      "volumeL": 1.002983940192987,
      "densityKgL": 0.9971359251438464,
      "alkalinityMeqL": 1.2684848735571577e-16,
      "dicMmolL": 0.0,
      "carbonMgL": 0.0,
      "carbonateAlkalinityMeqL": 0.0,
      "waterAlkalinityMeqL": 1.268521985943581e-16,
      "borateAlkalinityMeqL": 0.0,
      "calciumMmolL": 0.9999999999991607,
      "sodiumMmolL": 0.0,
      "chlorideMmolL": 1.9999999999980884,
      "boronMmolL": 0.0,
      "calciteSI": null,
      "speciesMmolL": {
        "H+": 0.00010698361006499548,
        "OH-": 0.0001056116617945855
      },
      "checks": {
        "carbonBalanceResidualMolKg": 0.0,
        "manualChargeResidualEq": 2.3358293115951155e-16,
        "manualAlkalinityResidualEqKg": 3.7223127564886245e-24,
        "independentCalciteSI": null,
        "massAction": {}
      }
    },
    "hardness_bicarbonate": {
      "input": {
        "temp": 25,
        "pressure": 1,
        "density": "1 calculate",
        "units": "mmol/L",
        "water": 1,
        "pH": "7 charge",
        "Na": 2,
        "C(4)": 2
      },
      "pH": 8.271178549474788,
      "waterKg": 1.0,
      "volumeL": 1.0030119363673817,
      "densityKgL": 0.9971647578978139,
      "alkalinityMeqL": 1.9999999999879599,
      "dicMmolL": 1.9999999999879594,
      "carbonMgL": 24.02219999985538,
      "carbonateAlkalinityMeqL": 1.998024502283068,
      "waterAlkalinityMeqL": 0.0019754977048911833,
      "borateAlkalinityMeqL": 0.0,
      "calciumMmolL": 0.0,
      "sodiumMmolL": 1.999999999987961,
      "chlorideMmolL": 0.0,
      "boronMmolL": 0.0,
      "calciteSI": null,
      "speciesMmolL": {
        "(CO2)2": 9.250495416952014e-09,
        "CO2": 0.022410357066200117,
        "CO3-2": 0.019826457705587507,
        "H+": 5.594536488247138e-06,
        "HCO3-": 1.955159334069236,
        "NaCO3-": 0.0006084201567121665,
        "NaHCO3": 0.001995412489233246,
        "OH-": 0.0019810922413790715
      },
      "checks": {
        "carbonBalanceResidualMolKg": 0.0,
        "manualChargeResidualEq": 1.8108960570449778e-18,
        "manualAlkalinityResidualEqKg": -4.336808689942018e-19,
        "independentCalciteSI": null,
        "massAction": {
          "bicarbonateLogResidual": 0.0,
          "co2LogResidual": 0.0
        }
      }
    },
    "hardness_both": {
      "input": {
        "temp": 25,
        "pressure": 1,
        "density": "1 calculate",
        "units": "mmol/L",
        "water": 1,
        "pH": "7 charge",
        "Ca": 1,
        "Cl": 2,
        "Na": 2,
        "C(4)": 2
      },
      "pH": 8.122492438067262,
      "waterKg": 1.0,
      "volumeL": 1.0030303333862811,
      "densityKgL": 0.9972573070466246,
      "alkalinityMeqL": 1.999999999977061,
      "dicMmolL": 1.999999999977061,
      "carbonMgL": 24.022199999724478,
      "carbonateAlkalinityMeqL": 1.9985468923852017,
      "waterAlkalinityMeqL": 0.0014531075918591493,
      "borateAlkalinityMeqL": 0.0,
      "calciumMmolL": 0.9999999999885283,
      "sodiumMmolL": 1.9999999999770575,
      "chlorideMmolL": 1.9999999999770566,
      "boronMmolL": 0.0,
      "calciteSI": 0.3861540581903746,
      "calciteActivityProduct": 8.059798476416493e-09,
      "calciteLogK": -8.479829875153825,
      "speciesMmolL": {
        "(CO2)2": 1.685908428954754e-08,
        "CO2": 0.030243557245916743,
        "CO3-2": 0.014892568010375345,
        "CaCO3": 0.013483368567507058,
        "CaHCO3+": 0.017729124543186814,
        "H+": 8.051973359495499e-06,
        "HCO3-": 1.9213718474458819,
        "NaCO3-": 0.000414546794344175,
        "NaHCO3": 0.0018649536516800896,
        "OH-": 0.0014440370958139727
      },
      "checks": {
        "carbonBalanceResidualMolKg": -4.336808689942018e-19,
        "manualChargeResidualEq": -4.387013590040311e-18,
        "manualAlkalinityResidualEqKg": 0.0,
        "independentCalciteSI": 0.3861540581903746,
        "massAction": {
          "bicarbonateLogResidual": 0.0,
          "co2LogResidual": 0.0
        }
      }
    }
  }
}