## Property get started and input examples

Here we take deepmd for example and the input file for other task types is similar.

```json
{
  "structures": [
    "confs/std-*"
  ],
  "interaction": {
    "type": "deepmd",
    "model": "frozen_model.pb",
    "type_map": {
      "Al": 0
    }
  },
  "properties": [
    {
      "type": "eos",
      "vol_start": 0.9,
      "vol_end": 1.1,
      "vol_step": 0.01
    },
    {
      "type": "elastic",
      "norm_deform": 0.01,
      "shear_deform": 0.01
    },
    {
      "type": "vacancy",
      "supercell": [
        3,
        3,
        3
      ],
      "start_confs_path": "../vasp/confs"
    },
    {
      "type": "interstitial",
      "supercell": [
        3,
        3,
        3
      ],
      "insert_ele": [
        "Al"
      ],
      "conf_filters": {
        "min_dist": 1.5
      },
      "cal_setting": {
        "input_prop": "lammps_input/lammps_high"
      }
    },
    {
      "type": "surface",
      "min_slab_size": 10,
      "min_vacuum_size": 11,
      "max_miller": 2,
      "cal_type": "static"
    },
    {
      "type": "gamma",
      "lattice_type": "fcc",
      "miller_index": [
        1,
        1,
        1
      ],
      "displace_direction": [
        1,
        1,
        0
      ],
      "supercell_size": [
        1,
        1,
        10
      ],
      "min_vacuum_size": 10,
      "add_fix": [
        "true",
        "true",
        "false"
      ],
      "n_steps": 20
    }
  ]
}
```

Universal key words for properties

| Key words                            | data structure | example                    | description                                                                               |
| ------------------------------------ | -------------- | -------------------------- | ----------------------------------------------------------------------------------------- |
| **type**                             | String         | "eos"                      | property type                                                                             |
| skip                                 | Boolean        | true                       | whether to skip current property or not                                                   |
| start_confs_path                     | String         | "../vasp/confs"            | start from the equilibrium configuration in other path only for the current property type |
| cal_setting["input_prop"]            | String         | "lammps_input/lammps_high" | input commands file                                                                       |
| cal_setting["overwrite_interaction"] | Dict           |                            | overwrite the interaction in the `interaction` part only for the current property type    |

other parameters in `cal_setting` and `cal_type` in `relaxation` also apply in `property`.

Key words for **EOS**

| Key words     | data structure | example | description                                                                                                      |
| ------------- | -------------- | ------- | ---------------------------------------------------------------------------------------------------------------- |
| **vol_start** | Float          | 0.9     | the starting volume related to the equilibrium structure                                                         |
| **vol_end**   | Float          | 1.1     | the biggest volume related to the equilibrium structure                                                          |
| **vol_step**  | Float          | 0.01    | the volume increment related to the equilibrium structure                                                        |
| vol_abs       | Boolean        | false   | whether to treat vol_start, vol_end and vol_step as absolute volume or not (as relative volume), default = false |

Key words for **Elastic**

| Key words    | data structure | example | description                                     |
| ------------ | -------------- | ------- | ----------------------------------------------- |
| norm_deform  | Float          | 1e-2    | deformation in xx, yy, zz, default = 1e-2       |
| shear_deform | Float          | 1e-2    | deformation in other directions, default = 1e-2 |

Key words for **Vacancy**

| Key words | data structure | example | description                                        |
| --------- | -------------- | ------- | -------------------------------------------------- |
| supercell | List of Int    | [3,3,3] | the supercell to be constructed, default = [1,1,1] |

Key words for **Interstitial**

| Key words      | data structure | example         | description                                                                          |
| -------------- | -------------- | --------------- | ------------------------------------------------------------------------------------ |
| **insert_ele** | List of String | ["Al"]          | the element to be inserted                                                           |
| supercell      | List of Int    | [3,3,3]         | the supercell to be constructed, default = [1,1,1]                                   |
| conf_filters   | Dict           | "min_dist": 1.5 | filter out the undesirable configuration                                             |
| bcc_self       | Boolean        | false           | whether to do the self-interstitial calculations for bcc structures, default = false |

Key words for **Surface**

| Key words           | data structure | example | description                                                                      |
| ------------------- | -------------- | ------- | -------------------------------------------------------------------------------- |
| **min_slab_size**   | Int            | 10      | minimum size of slab thickness                                                   |
| **min_vacuum_size** | Int            | 11      | minimum size of vacuum width                                                     |
| pert_xz             | Float          | 0.01    | perturbation through xz direction used to compute surface energy, default = 0.01 |
| max_miller          | Int            | 2       | the maximum miller index, default = 2                                            |

Key words for **Gamma**

| Key words              | data structure | example                 | description                                                                                |
| ---------------------- | -------------- | ----------------------- | ------------------------------------------------------------------------------------------ |
| **lattice_type**       | String         | "fcc"                   | "bcc" or "fcc" at this stage                                                               |
| **miller_index**       | List of Int    | [1,1,1]                 | slip plane for gamma-line calculation                                                      |
| **displace_direction** | List of Int    | [1,1,0]                 | slip direction for gamma-line calculation                                                  |
| supercell_size         | List of Int    | [1,1,10]                | the supercell to be constructed, default = [1,1,5]                                         |
| min_vacuum_size        | Int or Float   | 10                      | minimum size of vacuum width, default = 20                                                 |
| add_fix                | List of String | ['true','true','false'] | whether to fix atoms in the direction, default = ['true','true','false'] (standard method) |
| n_steps                | Int            | 20                      | Number of points for gamma-line calculation, default = 10                                  |