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Merge branch 'pybamm-team:develop' into energy-summary
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CHANGELOG.md

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1919

2020
## Breaking changes
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- `ElectrodeSOH.solve` now returns a `{str: float}` dict instead of a `pybamm.Solution` object (to avoid having to do `.data[0]` every time). In any code that uses `sol = ElectrodeSOH.solve()`, `sol[key].data[0]` should be replaced with `sol[key]`. ([#2779](https://github.com/pybamm-team/PyBaMM/pull/2779))
23+
- Removed "... cation signed stoichiometry" and "... electrons in reaction" parameters, they are now hardcoded. ([#2778](https://github.com/pybamm-team/PyBaMM/pull/2778))
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- When using `solver.step()`, the first time point in the step is shifted by `pybamm.settings.step_start_offset` (default 1 ns) to avoid having duplicate times in the solution steps from the end of one step and the start of the next. ([#2773](https://github.com/pybamm-team/PyBaMM/pull/2773))
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- Renamed "Measured open circuit voltage [V]" to "Surface open-circuit voltage [V]". This variable was calculated from surface particle concentrations, and hence "hid" the overpotential from particle gradients. The new variable "Open-circuit voltage [V]" is calculated from bulk particle concentrations instead. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
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- Renamed all references to "open circuit" to be "open-circuit" instead. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))

examples/notebooks/models/electrode-state-of-health.ipynb

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"esoh_sol = esoh_solver.solve(inputs)\n",
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"\n",
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"for var in [\"x_100\", \"y_100\", \"Q\", \"x_0\", \"y_0\"]:\n",
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" print(var, \":\", esoh_sol[var].data[0])"
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" print(var, \":\", esoh_sol[var])"
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]
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},
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{
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" try:\n",
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" sol = esoh_solver.solve(inputs)\n",
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" for var in variables:\n",
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" sweep[var].append(sol[var].data[0])\n",
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" sweep[var].append(sol[var])\n",
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" except (ValueError, pybamm.SolverError):\n",
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" pass\n",
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"\n",
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" else:\n",
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" label1 = label2 = label3 = None\n",
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" ax.plot(sweep[\"Q_Li\"], sweep[k],\"b-\", label=label1)\n",
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" ax.axhline(sol_init_QLi[k].data[0],c=\"k\",linestyle=\"--\", label=label2)\n",
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" ax.axhline(sol_init_Q[k].data[0],c=\"r\",linestyle=\"--\", label=label3)\n",
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" ax.axhline(sol_init_QLi[k],c=\"k\",linestyle=\"--\", label=label2)\n",
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" ax.axhline(sol_init_Q[k],c=\"r\",linestyle=\"--\", label=label3)\n",
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" ax.set_xlabel(\"Cyclable lithium [A.h]\")\n",
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" ax.set_ylabel(ks[0][0])\n",
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" ax.set_xlim([np.min(sweep[\"Q_Li\"]),np.max(sweep[\"Q_Li\"])])\n",
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" ax.axvline(sol_init_QLi[\"Q_Li\"].data[0],c=\"k\",linestyle=\"--\")\n",
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" ax.axvline(sol_init_Q[\"Q_Li\"].data[0],c=\"r\",linestyle=\"--\")\n",
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" ax.axvline(sol_init_QLi[\"Q_Li\"],c=\"k\",linestyle=\"--\")\n",
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" ax.axvline(sol_init_Q[\"Q_Li\"],c=\"r\",linestyle=\"--\")\n",
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" # Plot capacities of electrodes\n",
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" # ax.axvline(Qn,c=\"b\",linestyle=\"--\")\n",
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" # ax.axvline(Qp,c=\"r\",linestyle=\"--\")\n",

pybamm/input/parameters/lead_acid/Sulzer2019.py

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"Negative electrode Bruggeman coefficient (electrode)": 1.5,
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"Negative electrode morphological parameter": 0.6,
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"Negative electrode capacity [C.m-3]": 3473000000.0,
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"Negative electrode cation signed stoichiometry": 1.0,
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"Negative electrode electrons in reaction": 2.0,
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"Negative electrode exchange-current density [A.m-2]"
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"": lead_exchange_current_density_Sulzer2019,
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"Signed stoichiometry of cations (oxygen reaction)": 4.0,
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"Positive electrode Bruggeman coefficient (electrode)": 1.5,
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"Positive electrode morphological parameter": 0.6,
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"Positive electrode capacity [C.m-3]": 2745000000.0,
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"Positive electrode cation signed stoichiometry": 3.0,
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"Positive electrode electrons in reaction": 2.0,
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"Positive electrode exchange-current density [A.m-2]"
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"": lead_dioxide_exchange_current_density_Sulzer2019,
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"Positive electrode oxygen exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Ai2020.py

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"Negative particle radius [m]": 5e-06,
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"Negative electrode Bruggeman coefficient (electrolyte)": 2.914,
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"Negative electrode Bruggeman coefficient (electrode)": 0.0,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Negative electrode electrons in reaction": 1.0,
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"Negative electrode charge transfer coefficient": 0.5,
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"Negative electrode double-layer capacity [F.m-2]": 0.2,
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"Negative electrode exchange-current density [A.m-2]"
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"Positive electrode surface area to volume ratio [m-1]": 620000.0,
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"Positive electrode Bruggeman coefficient (electrolyte)": 1.83,
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"Positive electrode Bruggeman coefficient (electrode)": 0.0,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode charge transfer coefficient": 0.5,
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"Positive electrode double-layer capacity [F.m-2]": 0.2,
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"Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Chen2020.py

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"Negative particle radius [m]": 5.86e-06,
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"Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Negative electrode Bruggeman coefficient (electrode)": 0,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Negative electrode electrons in reaction": 1.0,
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"Negative electrode charge transfer coefficient": 0.5,
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"Negative electrode double-layer capacity [F.m-2]": 0.2,
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"Negative electrode exchange-current density [A.m-2]"
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"Positive particle radius [m]": 5.22e-06,
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"Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Positive electrode Bruggeman coefficient (electrode)": 0,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode charge transfer coefficient": 0.5,
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"Positive electrode double-layer capacity [F.m-2]": 0.2,
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"Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Chen2020_composite.py

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"Primary: Negative particle radius [m]": 5.86e-06,
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"Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Negative electrode Bruggeman coefficient (electrode)": 0,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Primary: Negative electrode electrons in reaction": 1.0,
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"Negative electrode charge transfer coefficient": 0.5,
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"Negative electrode double-layer capacity [F.m-2]": 0.2,
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"Primary: Negative electrode exchange-current density [A.m-2]"
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"": silicon_ocp_delithiation_Mark2016,
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"Secondary: Negative electrode active material volume fraction": 0.015,
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"Secondary: Negative particle radius [m]": 1.52e-06,
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"Secondary: Negative electrode electrons in reaction": 1.0,
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"Secondary: Negative electrode exchange-current density [A.m-2]"
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"": silicon_LGM50_electrolyte_exchange_current_density_Chen2020,
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"Secondary: Negative electrode density [kg.m-3]": 2650.0,
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"Positive particle radius [m]": 5.22e-06,
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"Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Positive electrode Bruggeman coefficient (electrode)": 0,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode charge transfer coefficient": 0.5,
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"Positive electrode double-layer capacity [F.m-2]": 0.2,
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"Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Ecker2015.py

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"Negative particle radius [m]": 1.37e-05,
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"Negative electrode Bruggeman coefficient (electrolyte)": 1.6372789338386007,
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"Negative electrode Bruggeman coefficient (electrode)": 0.0,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Negative electrode electrons in reaction": 1.0,
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"Negative electrode exchange-current density [A.m-2]"
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"": graphite_electrolyte_exchange_current_density_Ecker2015,
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"Negative electrode density [kg.m-3]": 1555.0,
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"Positive electrode Bruggeman coefficient (electrode)": 0.0,
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"Positive electrode exchange-current density [A.m-2]"
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"": nco_electrolyte_exchange_current_density_Ecker2015,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode density [kg.m-3]": 2895.0,
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"Positive electrode specific heat capacity [J.kg-1.K-1]": 1270.0,
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"Positive electrode thermal conductivity [W.m-1.K-1]": 1.04,

pybamm/input/parameters/lithium_ion/Marquis2019.py

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"Negative particle radius [m]": 1e-05,
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"Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Negative electrode Bruggeman coefficient (electrode)": 1.5,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Negative electrode electrons in reaction": 1.0,
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"Negative electrode charge transfer coefficient": 0.5,
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"Negative electrode double-layer capacity [F.m-2]": 0.2,
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"Negative electrode exchange-current density [A.m-2]"
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"Positive particle radius [m]": 1e-05,
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"Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Positive electrode Bruggeman coefficient (electrode)": 1.5,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode charge transfer coefficient": 0.5,
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"Positive electrode double-layer capacity [F.m-2]": 0.2,
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"Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Mohtat2020.py

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"Negative electrode Bruggeman coefficient (electrode)": 1.5,
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"Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Negative electrode transport efficiency": 0.16,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Negative electrode electrons in reaction": 1.0,
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"Negative electrode reference exchange-current density [A.m-2(m3.mol)1.5]"
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"": 1.061e-06,
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"Negative electrode charge transfer coefficient": 0.5,
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"Positive electrode Bruggeman coefficient (electrode)": 1.5,
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"Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
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"Positive electrode transport efficiency": 0.16,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode reference exchange-current density [A.m-2(m3.mol)1.5]"
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"": 4.824e-06,
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"Positive electrode charge transfer coefficient": 0.5,

pybamm/input/parameters/lithium_ion/NCA_Kim2011.py

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"Negative particle radius [m]": 5.083e-07,
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"Negative electrode Bruggeman coefficient (electrolyte)": 2.0,
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"Negative electrode Bruggeman coefficient (electrode)": 2.0,
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"Negative electrode cation signed stoichiometry": -1.0,
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"Negative electrode electrons in reaction": 1.0,
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"Negative electrode charge transfer coefficient": 0.5,
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"Negative electrode double-layer capacity [F.m-2]": 0.2,
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"Negative electrode exchange-current density [A.m-2]"
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"Positive particle radius [m]": 1.633e-06,
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"Positive electrode Bruggeman coefficient (electrolyte)": 2.0,
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"Positive electrode Bruggeman coefficient (electrode)": 2.0,
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"Positive electrode cation signed stoichiometry": -1.0,
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"Positive electrode electrons in reaction": 1.0,
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"Positive electrode charge transfer coefficient": 0.5,
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"Positive electrode double-layer capacity [F.m-2]": 0.2,
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"Positive electrode exchange-current density [A.m-2]"

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