feat: add JS built schemas and examples

docs/js/example/3pse/file/applications/espresso/7.2/pw.x.json

@@ -0,0 +1,94 @@
+{
+    "&CONTROL": {
+        "calculation": "scf",
+        "title": "",
+        "verbosity": "low",
+        "restart_mode": "from_scratch",
+        "wf_collect": true,
+        "tstress": true,
+        "tprnfor": true,
+        "outdir": "{{ JOB_WORK_DIR }}/outdir",
+        "wfcdir": "{{ JOB_WORK_DIR }}/outdir",
+        "prefix": "__prefix__",
+        "pseudo_dir": "{{ JOB_WORK_DIR }}/pseudo"
+    },
+    "&SYSTEM": {
+        "ibrav": 0,
+        "nat": 2,
+        "ntyp": 2,
+        "ecutwfc": 40,
+        "ecutrho": 200,
+        "occupations": "smearing",
+        "degauss": 0.005,
+        "starting_magnetization": [
+            0.01,
+            0.02
+        ],
+        "Hubbard_occ": [
+            [
+                1,
+                1,
+                0
+            ],
+            [
+                1,
+                2,
+                0.02
+            ]
+        ]
+    },
+    "&ELECTRONS": {
+        "diagonalization": "david",
+        "diago_david_ndim": 4,
+        "diago_full_acc": true,
+        "mixing_beta": 0.3,
+        "startingwfc": "atomic+random"
+    },
+    "&IONS": null,
+    "&CELL": null,
+    "ATOMIC_SPECIES": {
+        "values": [
+            {
+                "X": "Cs",
+                "Mass_X": 132.90543,
+                "PseudoPot_X": "Cs.upf"
+            },
+            {
+                "X": "Cl",
+                "Mass_X": 35.4527,
+                "PseudoPot_X": "Cl.upf"
+            }
+        ]
+    },
+    "CELL_PARAMETERS": {
+        "card_option": "angstrom",
+        "values": {
+            "v1": [
+                4.324582724,
+                0,
+                2.496799
+            ],
+            "v2": [
+                1.441527575,
+                4.077255694,
+                2.496799
+            ],
+            "v3": [
+                0,
+                0,
+                4.993598
+            ]
+        }
+    },
+    "K_POINTS": {
+        "card_option": "automatic",
+        "values": {
+            "nk1": 2,
+            "nk2": 2,
+            "nk3": 2,
+            "sk1": 0,
+            "sk2": 0,
+            "sk3": 0
+        }
+    }
+}

docs/js/example/core/abstract/2d_data.json

@@ -0,0 +1,19 @@
+{
+    "xDataArray": [
+        0,
+        1,
+        2
+    ],
+    "yDataSeries": [
+        [
+            0,
+            0.5,
+            1
+        ],
+        [
+            0,
+            2.5,
+            5
+        ]
+    ]
+}

docs/js/example/core/abstract/2d_plot.json

@@ -0,0 +1,26 @@
+{
+    "xAxis": {
+        "label": "kpoint index"
+    },
+    "xDataArray": [
+        0,
+        1,
+        2
+    ],
+    "yAxis": {
+        "label": "eigenvalues",
+        "units": "eV"
+    },
+    "yDataSeries": [
+        [
+            0,
+            0.5,
+            1
+        ],
+        [
+            0,
+            2.5,
+            5
+        ]
+    ]
+}

docs/js/example/core/abstract/3d_grid.json

@@ -0,0 +1,12 @@
+{
+    "dimensions": [
+        2,
+        2,
+        2
+    ],
+    "shifts": [
+        0,
+        0,
+        0
+    ]
+}

docs/js/example/core/abstract/3d_tensor.json

@@ -0,0 +1,17 @@
+[
+    [
+        1,
+        0,
+        0
+    ],
+    [
+        0,
+        1,
+        0
+    ],
+    [
+        0,
+        0,
+        1
+    ]
+]

docs/js/example/core/abstract/3d_vector_basis.json

@@ -0,0 +1,17 @@
+{
+    "a": [
+        5,
+        0,
+        0
+    ],
+    "b": [
+        0,
+        5,
+        0
+    ],
+    "c": [
+        0,
+        0,
+        5
+    ]
+}

docs/js/example/core/abstract/point.json

@@ -0,0 +1,5 @@
+[
+    0,
+    5.5,
+    0
+]

docs/js/example/core/abstract/vector.json

@@ -0,0 +1,5 @@
+[
+    1,
+    0,
+    0
+]

docs/js/example/core/primitive/1d_data_series.json

@@ -0,0 +1,12 @@
+[
+    [
+        0,
+        0.5,
+        1
+    ],
+    [
+        0,
+        2.5,
+        5
+    ]
+]

docs/js/example/core/primitive/3d_lattice.json

@@ -0,0 +1,8 @@
+{
+    "a": 5.14,
+    "alpha": 90,
+    "b": 5.14,
+    "beta": 90,
+    "c": 5.14,
+    "gamma": 90
+}

docs/js/example/core/primitive/array_of_3_booleans.json

@@ -0,0 +1,5 @@
+[
+    true,
+    false,
+    false
+]

docs/js/example/core/primitive/array_of_3_numbers.json

@@ -0,0 +1,5 @@
+[
+    1,
+    0,
+    0
+]

docs/js/example/core/primitive/array_of_ids.json

@@ -0,0 +1,8 @@
+[
+    {
+        "id": 1
+    },
+    {
+        "id": 2
+    }
+]

docs/js/example/core/primitive/axis.json

@@ -0,0 +1,4 @@
+{
+    "label": "energy",
+    "units": "eV"
+}

docs/js/example/core/primitive/scalar.json

@@ -0,0 +1,3 @@
+{
+    "value": 0.1
+}

docs/js/example/core/primitive/string.json

@@ -0,0 +1,3 @@
+{
+    "value": "example string"
+}

docs/js/example/core/reference.json

@@ -0,0 +1,9 @@
+{
+    "_id": "nDAavgjrT5ezwFgod",
+    "owner": {
+        "_id": "HtxACY2wX4b2hS8Rv",
+        "cls": "Account",
+        "slug": "exabyte"
+    },
+    "title": "My Calculation"
+}

docs/js/example/core/reference/experiment.json

@@ -0,0 +1,38 @@
+{
+    "authors": [
+        {
+            "affiliation": "Exabyte Inc.",
+            "first": "John",
+            "last": "Doe"
+        }
+    ],
+    "conditions": [
+        {
+            "name": "pressure",
+            "scalar": [
+                {
+                    "value": "1.2"
+                },
+                {
+                    "value": "3.3"
+                }
+            ],
+            "units": "kbar"
+        }
+    ],
+    "method": "DFT",
+    "references": [
+        {
+            "authors": [
+                {
+                    "affiliation": "Exabyte Inc.",
+                    "first": "John",
+                    "last": "Doe"
+                }
+            ],
+            "doi": "10.1000/xyz123"
+        }
+    ],
+    "timestamp": 141182979832,
+    "title": "Experiment 1"
+}

docs/js/example/core/reference/experiment/condition.json

@@ -0,0 +1,12 @@
+{
+    "name": "pressure",
+    "scalar": [
+        {
+            "value": "1.2"
+        },
+        {
+            "value": "3.3"
+        }
+    ],
+    "units": "kbar"
+}

docs/js/example/core/reference/experiment/location.json

@@ -0,0 +1,4 @@
+{
+    "latitude": 24.3423424,
+    "longitude": 43.234232
+}

docs/js/example/core/reference/literature.json

@@ -0,0 +1,10 @@
+{
+    "authors": [
+        {
+            "affiliation": "Exabyte Inc.",
+            "first": "John",
+            "last": "Doe"
+        }
+    ],
+    "doi": "10.1000/xyz123"
+}

docs/js/example/core/reference/literature/name.json

@@ -0,0 +1,5 @@
+{
+    "affiliation": "Exabyte Inc.",
+    "first": "John",
+    "last": "Doe"
+}

docs/js/example/core/reference/literature/pages.json

@@ -0,0 +1,4 @@
+{
+    "end": "2",
+    "start": "1"
+}

docs/js/example/core/reference/modeling.json

@@ -0,0 +1,9 @@
+{
+    "_id": "nDAavgjrT5ezwFgod",
+    "owner": {
+        "_id": "HtxACY2wX4b2hS8Rv",
+        "cls": "Account",
+        "slug": "exabyte"
+    },
+    "title": "My Calculation"
+}

docs/js/example/core/reference/modeling/exabyte.json

@@ -0,0 +1,9 @@
+{
+    "_id": "nDAavgjrT5ezwFgod",
+    "owner": {
+        "_id": "HtxACY2wX4b2hS8Rv",
+        "cls": "Account",
+        "slug": "exabyte"
+    },
+    "title": "My Calculation"
+}