npm - @mat3ra/made - Versions diffs - 2026.8.13-0 → 2026.8.26-0 - Mend

@mat3ra/made 2026.8.13-0 → 2026.8.26-0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Files changed (493) hide show

package/tests/py/unit/fixtures/interface/commensurate.py DELETED Viewed

@@ -1,498 +0,0 @@
-INTERFACE_GRAPHENE_GRAPHENE_Z = {
-    "metadata": {"boundaryConditions": {"type": "pbc", "offset": 0}},
-    "name": "C(001)-C(001), Interface",
-    "basis": {
-        "elements": [
-            {"id": 0, "value": "C"},
-            {"id": 1, "value": "C"},
-            {"id": 2, "value": "C"},
-            {"id": 3, "value": "C"},
-            {"id": 4, "value": "C"},
-            {"id": 5, "value": "C"},
-            {"id": 6, "value": "C"},
-            {"id": 7, "value": "C"},
-            {"id": 8, "value": "C"},
-            {"id": 9, "value": "C"},
-            {"id": 10, "value": "C"},
-            {"id": 11, "value": "C"},
-            {"id": 12, "value": "C"},
-            {"id": 13, "value": "C"},
-            {"id": 14, "value": "C"},
-            {"id": 15, "value": "C"},
-            {"id": 16, "value": "C"},
-            {"id": 17, "value": "C"},
-            {"id": 18, "value": "C"},
-            {"id": 19, "value": "C"},
-            {"id": 20, "value": "C"},
-            {"id": 21, "value": "C"},
-            {"id": 22, "value": "C"},
-            {"id": 23, "value": "C"},
-            {"id": 24, "value": "C"},
-            {"id": 25, "value": "C"},
-            {"id": 26, "value": "C"},
-            {"id": 27, "value": "C"},
-            {"id": 28, "value": "C"},
-            {"id": 29, "value": "C"},
-            {"id": 30, "value": "C"},
-            {"id": 31, "value": "C"},
-            {"id": 32, "value": "C"},
-            {"id": 33, "value": "C"},
-            {"id": 34, "value": "C"},
-            {"id": 35, "value": "C"},
-            {"id": 36, "value": "C"},
-            {"id": 37, "value": "C"},
-            {"id": 38, "value": "C"},
-            {"id": 39, "value": "C"},
-            {"id": 40, "value": "C"},
-            {"id": 41, "value": "C"},
-            {"id": 42, "value": "C"},
-            {"id": 43, "value": "C"},
-            {"id": 44, "value": "C"},
-            {"id": 45, "value": "C"},
-            {"id": 46, "value": "C"},
-            {"id": 47, "value": "C"},
-            {"id": 48, "value": "C"},
-            {"id": 49, "value": "C"},
-            {"id": 50, "value": "C"},
-            {"id": 51, "value": "C"},
-            {"id": 52, "value": "C"},
-            {"id": 53, "value": "C"},
-            {"id": 54, "value": "C"},
-            {"id": 55, "value": "C"},
-            {"id": 56, "value": "C"},
-            {"id": 57, "value": "C"},
-            {"id": 58, "value": "C"},
-            {"id": 59, "value": "C"},
-            {"id": 60, "value": "C"},
-            {"id": 61, "value": "C"},
-            {"id": 62, "value": "C"},
-            {"id": 63, "value": "C"},
-            {"id": 64, "value": "C"},
-            {"id": 65, "value": "C"},
-            {"id": 66, "value": "C"},
-            {"id": 67, "value": "C"},
-            {"id": 68, "value": "C"},
-            {"id": 69, "value": "C"},
-            {"id": 70, "value": "C"},
-            {"id": 71, "value": "C"},
-            {"id": 72, "value": "C"},
-            {"id": 73, "value": "C"},
-            {"id": 74, "value": "C"},
-            {"id": 75, "value": "C"},
-        ],
-        "coordinates": [
-            {"id": 0, "value": [0.912280702, 0.701754386, 0.000003333]},
-            {"id": 1, "value": [0.771929824, 0.824561404, 0.000003333]},
-            {"id": 2, "value": [0.649122807, 0.807017544, 0.000003333]},
-            {"id": 3, "value": [0.50877193, 0.929824562, 0.000003333]},
-            {"id": 4, "value": [0.807017544, 0.543859649, 0.000003333]},
-            {"id": 5, "value": [0.666666667, 0.666666667, 0.000003333]},
-            {"id": 6, "value": [0.964912281, 0.280701754, 0.000003333]},
-            {"id": 7, "value": [0.824561403, 0.403508772, 0.000003333]},
-            {"id": 8, "value": [0.543859649, 0.649122807, 0.000003333]},
-            {"id": 9, "value": [0.403508772, 0.771929825, 0.000003333]},
-            {"id": 10, "value": [0.701754386, 0.385964912, 0.000003333]},
-            {"id": 11, "value": [0.561403509, 0.50877193, 0.000003333]},
-            {"id": 12, "value": [0.859649123, 0.122807017, 0.000003333]},
-            {"id": 13, "value": [0.719298245, 0.245614035, 0.000003333]},
-            {"id": 14, "value": [0.280701755, 0.754385965, 0.000003333]},
-            {"id": 15, "value": [0.140350877, 0.877192983, 0.000003333]},
-            {"id": 16, "value": [0.438596491, 0.49122807, 0.000003333]},
-            {"id": 17, "value": [0.298245614, 0.614035088, 0.000003333]},
-            {"id": 18, "value": [0.596491228, 0.228070175, 0.000003333]},
-            {"id": 19, "value": [0.456140351, 0.350877193, 0.000003333]},
-            {"id": 20, "value": [0.754385965, 0.964912281, 0.000003333]},
-            {"id": 21, "value": [0.614035088, 0.087719298, 0.000003333]},
-            {"id": 22, "value": [0.175438597, 0.596491228, 0.000003333]},
-            {"id": 23, "value": [0.035087719, 0.719298246, 0.000003333]},
-            {"id": 24, "value": [0.333333333, 0.333333333, 0.000003333]},
-            {"id": 25, "value": [0.192982456, 0.456140351, 0.000003333]},
-            {"id": 26, "value": [0.49122807, 0.070175438, 0.000003333]},
-            {"id": 27, "value": [0.350877193, 0.192982456, 0.000003333]},
-            {"id": 28, "value": [0.070175439, 0.438596491, 0.000003333]},
-            {"id": 29, "value": [0.929824561, 0.561403509, 0.000003333]},
-            {"id": 30, "value": [0.228070176, 0.175438596, 0.000003333]},
-            {"id": 31, "value": [0.087719298, 0.298245614, 0.000003333]},
-            {"id": 32, "value": [0.385964912, 0.912280702, 0.000003333]},
-            {"id": 33, "value": [0.245614035, 0.035087719, 0.000003333]},
-            {"id": 34, "value": [0.122807018, 0.01754386, 0.000003333]},
-            {"id": 35, "value": [0.98245614, 0.140350877, 0.000003333]},
-            {"id": 36, "value": [0.01754386, 0.859649123, 0.000003333]},
-            {"id": 37, "value": [0.877192982, 0.98245614, 0.000003333]},
-            {"id": 38, "value": [0.824561404, 0.771929824, 0.500003333]},
-            {"id": 39, "value": [0.701754386, 0.912280702, 0.500003333]},
-            {"id": 40, "value": [0.929824562, 0.50877193, 0.500003333]},
-            {"id": 41, "value": [0.807017544, 0.649122807, 0.500003333]},
-            {"id": 42, "value": [0.666666667, 0.666666667, 0.500003333]},
-            {"id": 43, "value": [0.543859649, 0.807017544, 0.500003333]},
-            {"id": 44, "value": [0.771929825, 0.403508772, 0.500003333]},
-            {"id": 45, "value": [0.649122807, 0.543859649, 0.500003333]},
-            {"id": 46, "value": [0.877192983, 0.140350877, 0.500003333]},
-            {"id": 47, "value": [0.754385965, 0.280701755, 0.500003333]},
-            {"id": 48, "value": [0.403508772, 0.824561403, 0.500003333]},
-            {"id": 49, "value": [0.280701754, 0.964912281, 0.500003333]},
-            {"id": 50, "value": [0.50877193, 0.561403509, 0.500003333]},
-            {"id": 51, "value": [0.385964912, 0.701754386, 0.500003333]},
-            {"id": 52, "value": [0.614035088, 0.298245614, 0.500003333]},
-            {"id": 53, "value": [0.49122807, 0.438596491, 0.500003333]},
-            {"id": 54, "value": [0.719298246, 0.035087719, 0.500003333]},
-            {"id": 55, "value": [0.596491228, 0.175438597, 0.500003333]},
-            {"id": 56, "value": [0.245614035, 0.719298245, 0.500003333]},
-            {"id": 57, "value": [0.122807017, 0.859649123, 0.500003333]},
-            {"id": 58, "value": [0.350877193, 0.456140351, 0.500003333]},
-            {"id": 59, "value": [0.228070175, 0.596491228, 0.500003333]},
-            {"id": 60, "value": [0.456140351, 0.192982456, 0.500003333]},
-            {"id": 61, "value": [0.333333333, 0.333333333, 0.500003333]},
-            {"id": 62, "value": [0.561403509, 0.929824561, 0.500003333]},
-            {"id": 63, "value": [0.438596491, 0.070175439, 0.500003333]},
-            {"id": 64, "value": [0.087719298, 0.614035088, 0.500003333]},
-            {"id": 65, "value": [0.964912281, 0.754385965, 0.500003333]},
-            {"id": 66, "value": [0.192982456, 0.350877193, 0.500003333]},
-            {"id": 67, "value": [0.070175438, 0.49122807, 0.500003333]},
-            {"id": 68, "value": [0.298245614, 0.087719298, 0.500003333]},
-            {"id": 69, "value": [0.175438596, 0.228070176, 0.500003333]},
-            {"id": 70, "value": [0.035087719, 0.245614035, 0.500003333]},
-            {"id": 71, "value": [0.912280702, 0.385964912, 0.500003333]},
-            {"id": 72, "value": [0.140350877, 0.98245614, 0.500003333]},
-            {"id": 73, "value": [0.01754386, 0.122807018, 0.500003333]},
-            {"id": 74, "value": [0.98245614, 0.877192982, 0.500003333]},
-            {"id": 75, "value": [0.859649123, 0.01754386, 0.500003333]},
-        ],
-        "units": "crystal",
-        "labels": [
-            {"id": 0, "value": 0},
-            {"id": 1, "value": 0},
-            {"id": 2, "value": 0},
-            {"id": 3, "value": 0},
-            {"id": 4, "value": 0},
-            {"id": 5, "value": 0},
-            {"id": 6, "value": 0},
-            {"id": 7, "value": 0},
-            {"id": 8, "value": 0},
-            {"id": 9, "value": 0},
-            {"id": 10, "value": 0},
-            {"id": 11, "value": 0},
-            {"id": 12, "value": 0},
-            {"id": 13, "value": 0},
-            {"id": 14, "value": 0},
-            {"id": 15, "value": 0},
-            {"id": 16, "value": 0},
-            {"id": 17, "value": 0},
-            {"id": 18, "value": 0},
-            {"id": 19, "value": 0},
-            {"id": 20, "value": 0},
-            {"id": 21, "value": 0},
-            {"id": 22, "value": 0},
-            {"id": 23, "value": 0},
-            {"id": 24, "value": 0},
-            {"id": 25, "value": 0},
-            {"id": 26, "value": 0},
-            {"id": 27, "value": 0},
-            {"id": 28, "value": 0},
-            {"id": 29, "value": 0},
-            {"id": 30, "value": 0},
-            {"id": 31, "value": 0},
-            {"id": 32, "value": 0},
-            {"id": 33, "value": 0},
-            {"id": 34, "value": 0},
-            {"id": 35, "value": 0},
-            {"id": 36, "value": 0},
-            {"id": 37, "value": 0},
-            {"id": 38, "value": 1},
-            {"id": 39, "value": 1},
-            {"id": 40, "value": 1},
-            {"id": 41, "value": 1},
-            {"id": 42, "value": 1},
-            {"id": 43, "value": 1},
-            {"id": 44, "value": 1},
-            {"id": 45, "value": 1},
-            {"id": 46, "value": 1},
-            {"id": 47, "value": 1},
-            {"id": 48, "value": 1},
-            {"id": 49, "value": 1},
-            {"id": 50, "value": 1},
-            {"id": 51, "value": 1},
-            {"id": 52, "value": 1},
-            {"id": 53, "value": 1},
-            {"id": 54, "value": 1},
-            {"id": 55, "value": 1},
-            {"id": 56, "value": 1},
-            {"id": 57, "value": 1},
-            {"id": 58, "value": 1},
-            {"id": 59, "value": 1},
-            {"id": 60, "value": 1},
-            {"id": 61, "value": 1},
-            {"id": 62, "value": 1},
-            {"id": 63, "value": 1},
-            {"id": 64, "value": 1},
-            {"id": 65, "value": 1},
-            {"id": 66, "value": 1},
-            {"id": 67, "value": 1},
-            {"id": 68, "value": 1},
-            {"id": 69, "value": 1},
-            {"id": 70, "value": 1},
-            {"id": 71, "value": 1},
-            {"id": 72, "value": 1},
-            {"id": 73, "value": 1},
-            {"id": 74, "value": 1},
-            {"id": 75, "value": 1},
-        ],
-        "constraints": [],
-    },
-    "lattice": {
-        "a": 10.754672133,
-        "b": 10.754672133,
-        "c": 6.00004,
-        "alpha": 90,
-        "beta": 90,
-        "gamma": 60,
-        "units": {"length": "angstrom", "angle": "degree"},
-        "type": "TRI",
-    },
-}
-INTERFACE_GRAPHENE_GRAPHENE_X = {
-    "name": "C(001)-C(001), Interface",
-    "basis": {
-        "elements": [
-            {"id": 0, "value": "C"},
-            {"id": 1, "value": "C"},
-            {"id": 2, "value": "C"},
-            {"id": 3, "value": "C"},
-            {"id": 4, "value": "C"},
-            {"id": 5, "value": "C"},
-            {"id": 6, "value": "C"},
-            {"id": 7, "value": "C"},
-            {"id": 8, "value": "C"},
-            {"id": 9, "value": "C"},
-            {"id": 10, "value": "C"},
-            {"id": 11, "value": "C"},
-            {"id": 12, "value": "C"},
-            {"id": 13, "value": "C"},
-            {"id": 14, "value": "C"},
-            {"id": 15, "value": "C"},
-            {"id": 16, "value": "C"},
-            {"id": 17, "value": "C"},
-            {"id": 18, "value": "C"},
-            {"id": 19, "value": "C"},
-            {"id": 20, "value": "C"},
-            {"id": 21, "value": "C"},
-            {"id": 22, "value": "C"},
-            {"id": 23, "value": "C"},
-            {"id": 24, "value": "C"},
-            {"id": 25, "value": "C"},
-            {"id": 26, "value": "C"},
-            {"id": 27, "value": "C"},
-            {"id": 28, "value": "C"},
-            {"id": 29, "value": "C"},
-            {"id": 30, "value": "C"},
-            {"id": 31, "value": "C"},
-            {"id": 32, "value": "C"},
-            {"id": 33, "value": "C"},
-            {"id": 34, "value": "C"},
-            {"id": 35, "value": "C"},
-            {"id": 36, "value": "C"},
-            {"id": 37, "value": "C"},
-            {"id": 38, "value": "C"},
-            {"id": 39, "value": "C"},
-            {"id": 40, "value": "C"},
-            {"id": 41, "value": "C"},
-            {"id": 42, "value": "C"},
-            {"id": 43, "value": "C"},
-            {"id": 44, "value": "C"},
-            {"id": 45, "value": "C"},
-            {"id": 46, "value": "C"},
-            {"id": 47, "value": "C"},
-            {"id": 48, "value": "C"},
-            {"id": 49, "value": "C"},
-            {"id": 50, "value": "C"},
-            {"id": 51, "value": "C"},
-            {"id": 52, "value": "C"},
-            {"id": 53, "value": "C"},
-            {"id": 54, "value": "C"},
-            {"id": 55, "value": "C"},
-            {"id": 56, "value": "C"},
-            {"id": 57, "value": "C"},
-            {"id": 58, "value": "C"},
-            {"id": 59, "value": "C"},
-            {"id": 60, "value": "C"},
-            {"id": 61, "value": "C"},
-            {"id": 62, "value": "C"},
-            {"id": 63, "value": "C"},
-            {"id": 64, "value": "C"},
-            {"id": 65, "value": "C"},
-            {"id": 66, "value": "C"},
-            {"id": 67, "value": "C"},
-            {"id": 68, "value": "C"},
-            {"id": 69, "value": "C"},
-            {"id": 70, "value": "C"},
-            {"id": 71, "value": "C"},
-            {"id": 72, "value": "C"},
-            {"id": 73, "value": "C"},
-        ],
-        "coordinates": [
-            {"id": 0, "value": [0.456140351, 0.701754386, 0.000001]},
-            {"id": 1, "value": [0.385964912, 0.824561404, 0.000001]},
-            {"id": 2, "value": [0.324561404, 0.807017544, 0.000001]},
-            {"id": 3, "value": [0.254385965, 0.929824562, 0.000001]},
-            {"id": 4, "value": [0.403508772, 0.543859649, 0.000001]},
-            {"id": 5, "value": [0.333333334, 0.666666667, 0.000001]},
-            {"id": 6, "value": [0.412280701, 0.403508772, 0.000001]},
-            {"id": 7, "value": [0.271929824, 0.649122807, 0.000001]},
-            {"id": 8, "value": [0.201754386, 0.771929825, 0.000001]},
-            {"id": 9, "value": [0.350877193, 0.385964912, 0.000001]},
-            {"id": 10, "value": [0.280701754, 0.50877193, 0.000001]},
-            {"id": 11, "value": [0.429824562, 0.122807017, 0.000001]},
-            {"id": 12, "value": [0.359649122, 0.245614035, 0.000001]},
-            {"id": 13, "value": [0.140350877, 0.754385965, 0.000001]},
-            {"id": 14, "value": [0.070175438, 0.877192983, 0.000001]},
-            {"id": 15, "value": [0.219298246, 0.49122807, 0.000001]},
-            {"id": 16, "value": [0.149122807, 0.614035088, 0.000001]},
-            {"id": 17, "value": [0.298245614, 0.228070175, 0.000001]},
-            {"id": 18, "value": [0.228070176, 0.350877193, 0.000001]},
-            {"id": 19, "value": [0.377192982, 0.964912281, 0.000001]},
-            {"id": 20, "value": [0.307017544, 0.087719298, 0.000001]},
-            {"id": 21, "value": [0.087719299, 0.596491228, 0.000001]},
-            {"id": 22, "value": [0.017543859, 0.719298246, 0.000001]},
-            {"id": 23, "value": [0.166666666, 0.333333333, 0.000001]},
-            {"id": 24, "value": [0.096491228, 0.456140351, 0.000001]},
-            {"id": 25, "value": [0.245614035, 0.070175438, 0.000001]},
-            {"id": 26, "value": [0.175438596, 0.192982456, 0.000001]},
-            {"id": 27, "value": [0.03508772, 0.438596491, 0.000001]},
-            {"id": 28, "value": [0.46491228, 0.561403509, 0.000001]},
-            {"id": 29, "value": [0.114035088, 0.175438596, 0.000001]},
-            {"id": 30, "value": [0.043859649, 0.298245614, 0.000001]},
-            {"id": 31, "value": [0.192982456, 0.912280702, 0.000001]},
-            {"id": 32, "value": [0.122807017, 0.035087719, 0.000001]},
-            {"id": 33, "value": [0.061403509, 0.01754386, 0.000001]},
-            {"id": 34, "value": [0.00877193, 0.859649123, 0.000001]},
-            {"id": 35, "value": [0.438596491, 0.98245614, 0.000001]},
-            {"id": 36, "value": [0.912280702, 0.771929824, 0.000001]},
-            {"id": 37, "value": [0.850877193, 0.912280702, 0.000001]},
-            {"id": 38, "value": [0.964912281, 0.50877193, 0.000001]},
-            {"id": 39, "value": [0.903508772, 0.649122807, 0.000001]},
-            {"id": 40, "value": [0.833333334, 0.666666667, 0.000001]},
-            {"id": 41, "value": [0.771929824, 0.807017544, 0.000001]},
-            {"id": 42, "value": [0.885964912, 0.403508772, 0.000001]},
-            {"id": 43, "value": [0.824561404, 0.543859649, 0.000001]},
-            {"id": 44, "value": [0.938596491, 0.140350877, 0.000001]},
-            {"id": 45, "value": [0.877192982, 0.280701755, 0.000001]},
-            {"id": 46, "value": [0.701754386, 0.824561403, 0.000001]},
-            {"id": 47, "value": [0.640350877, 0.964912281, 0.000001]},
-            {"id": 48, "value": [0.754385965, 0.561403509, 0.000001]},
-            {"id": 49, "value": [0.692982456, 0.701754386, 0.000001]},
-            {"id": 50, "value": [0.807017544, 0.298245614, 0.000001]},
-            {"id": 51, "value": [0.745614035, 0.438596491, 0.000001]},
-            {"id": 52, "value": [0.859649123, 0.035087719, 0.000001]},
-            {"id": 53, "value": [0.798245614, 0.175438597, 0.000001]},
-            {"id": 54, "value": [0.622807017, 0.719298245, 0.000001]},
-            {"id": 55, "value": [0.561403508, 0.859649123, 0.000001]},
-            {"id": 56, "value": [0.675438596, 0.456140351, 0.000001]},
-            {"id": 57, "value": [0.614035088, 0.596491228, 0.000001]},
-            {"id": 58, "value": [0.728070176, 0.192982456, 0.000001]},
-            {"id": 59, "value": [0.666666666, 0.333333333, 0.000001]},
-            {"id": 60, "value": [0.780701754, 0.929824561, 0.000001]},
-            {"id": 61, "value": [0.719298246, 0.070175439, 0.000001]},
-            {"id": 62, "value": [0.543859649, 0.614035088, 0.000001]},
-            {"id": 63, "value": [0.98245614, 0.754385965, 0.000001]},
-            {"id": 64, "value": [0.596491228, 0.350877193, 0.000001]},
-            {"id": 65, "value": [0.535087719, 0.49122807, 0.000001]},
-            {"id": 66, "value": [0.649122807, 0.087719298, 0.000001]},
-            {"id": 67, "value": [0.587719298, 0.228070176, 0.000001]},
-            {"id": 68, "value": [0.51754386, 0.245614035, 0.000001]},
-            {"id": 69, "value": [0.956140351, 0.385964912, 0.000001]},
-            {"id": 70, "value": [0.570175438, 0.98245614, 0.000001]},
-            {"id": 71, "value": [0.50877193, 0.122807018, 0.000001]},
-            {"id": 72, "value": [0.99122807, 0.877192982, 0.000001]},
-            {"id": 73, "value": [0.929824562, 0.01754386, 0.000001]},
-        ],
-        "units": "crystal",
-        "labels": [
-            {"id": 0, "value": 0},
-            {"id": 1, "value": 0},
-            {"id": 2, "value": 0},
-            {"id": 3, "value": 0},
-            {"id": 4, "value": 0},
-            {"id": 5, "value": 0},
-            {"id": 6, "value": 0},
-            {"id": 7, "value": 0},
-            {"id": 8, "value": 0},
-            {"id": 9, "value": 0},
-            {"id": 10, "value": 0},
-            {"id": 11, "value": 0},
-            {"id": 12, "value": 0},
-            {"id": 13, "value": 0},
-            {"id": 14, "value": 0},
-            {"id": 15, "value": 0},
-            {"id": 16, "value": 0},
-            {"id": 17, "value": 0},
-            {"id": 18, "value": 0},
-            {"id": 19, "value": 0},
-            {"id": 20, "value": 0},
-            {"id": 21, "value": 0},
-            {"id": 22, "value": 0},
-            {"id": 23, "value": 0},
-            {"id": 24, "value": 0},
-            {"id": 25, "value": 0},
-            {"id": 26, "value": 0},
-            {"id": 27, "value": 0},
-            {"id": 28, "value": 0},
-            {"id": 29, "value": 0},
-            {"id": 30, "value": 0},
-            {"id": 31, "value": 0},
-            {"id": 32, "value": 0},
-            {"id": 33, "value": 0},
-            {"id": 34, "value": 0},
-            {"id": 35, "value": 0},
-            {"id": 36, "value": 1},
-            {"id": 37, "value": 1},
-            {"id": 38, "value": 1},
-            {"id": 39, "value": 1},
-            {"id": 40, "value": 1},
-            {"id": 41, "value": 1},
-            {"id": 42, "value": 1},
-            {"id": 43, "value": 1},
-            {"id": 44, "value": 1},
-            {"id": 45, "value": 1},
-            {"id": 46, "value": 1},
-            {"id": 47, "value": 1},
-            {"id": 48, "value": 1},
-            {"id": 49, "value": 1},
-            {"id": 50, "value": 1},
-            {"id": 51, "value": 1},
-            {"id": 52, "value": 1},
-            {"id": 53, "value": 1},
-            {"id": 54, "value": 1},
-            {"id": 55, "value": 1},
-            {"id": 56, "value": 1},
-            {"id": 57, "value": 1},
-            {"id": 58, "value": 1},
-            {"id": 59, "value": 1},
-            {"id": 60, "value": 1},
-            {"id": 61, "value": 1},
-            {"id": 62, "value": 1},
-            {"id": 63, "value": 1},
-            {"id": 64, "value": 1},
-            {"id": 65, "value": 1},
-            {"id": 66, "value": 1},
-            {"id": 67, "value": 1},
-            {"id": 68, "value": 1},
-            {"id": 69, "value": 1},
-            {"id": 70, "value": 1},
-            {"id": 71, "value": 1},
-            {"id": 72, "value": 1},
-            {"id": 73, "value": 1},
-        ],
-        "constraints": [],
-    },
-    "lattice": {
-        "a": 21.509344266,
-        "b": 10.754672133,
-        "c": 20,
-        "alpha": 90,
-        "beta": 90,
-        "gamma": 60,
-        "units": {"length": "angstrom", "angle": "degree"},
-        "type": "TRI",
-    },
-}