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The dataset generation failed
Error code: DatasetGenerationError
Exception: ArrowNotImplementedError
Message: Cannot write struct type 'atoms_info' with no child field to Parquet. Consider adding a dummy child field.
Traceback: Traceback (most recent call last):
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
writer.write_table(table)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 642, in write_table
self._build_writer(inferred_schema=pa_table.schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 457, in _build_writer
self.pa_writer = self._WRITER_CLASS(self.stream, schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/pyarrow/parquet/core.py", line 1010, in __init__
self.writer = _parquet.ParquetWriter(
File "pyarrow/_parquet.pyx", line 2157, in pyarrow._parquet.ParquetWriter.__cinit__
File "pyarrow/error.pxi", line 154, in pyarrow.lib.pyarrow_internal_check_status
File "pyarrow/error.pxi", line 91, in pyarrow.lib.check_status
pyarrow.lib.ArrowNotImplementedError: Cannot write struct type 'atoms_info' with no child field to Parquet. Consider adding a dummy child field.
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1847, in _prepare_split_single
num_examples, num_bytes = writer.finalize()
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 661, in finalize
self._build_writer(self.schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 457, in _build_writer
self.pa_writer = self._WRITER_CLASS(self.stream, schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/pyarrow/parquet/core.py", line 1010, in __init__
self.writer = _parquet.ParquetWriter(
File "pyarrow/_parquet.pyx", line 2157, in pyarrow._parquet.ParquetWriter.__cinit__
File "pyarrow/error.pxi", line 154, in pyarrow.lib.pyarrow_internal_check_status
File "pyarrow/error.pxi", line 91, in pyarrow.lib.check_status
pyarrow.lib.ArrowNotImplementedError: Cannot write struct type 'atoms_info' with no child field to Parquet. Consider adding a dummy child field.
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1456, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1055, in convert_to_parquet
builder.download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 894, in download_and_prepare
self._download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 970, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1702, in _prepare_split
for job_id, done, content in self._prepare_split_single(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1858, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
@module string | @class string | atoms_json string | atoms_info dict | mp_id list |
|---|---|---|---|---|
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[10], "int64", [8, 8, 8, 8, 8, 8, 8, 8, 8, 8]]}, "positions": {"__ndarray__": [[10, 3], "float64", [4.40802864852, 2.593967695355995, 5.82250117555, 0.42949378048500003, 2.210572420073995, 5.777425457076995, 1.8838750353499951, 5.165298822866, 3.0111557670169944, 3.0761473176010004, 0.33956... | {} | [
"mp-1180064"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6... | {} | [
"mp-1244913"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22... | {} | [
"mp-1245006"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14... | {} | [
"mp-1244933"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[12], "int64", [41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41]]}, "positions": {"__ndarray__": [[12, 3], "float64", [-0.9932883164829993, -0.421354789482, 3.13782545538, 1.6359322824080036, 0.510809653557996, 2.123441688829994, -1.024995269856003, 4.587478108774002, 0.8338756995799939, -0.... | {} | [
"mp-1094120"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14... | {} | [
"mp-1244990"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13... | {} | [
"mp-1244953"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [14, 14, 14, 14, 14, 14, 14, 14]]}, "positions": {"__ndarray__": [[8, 3], "float64", [3.022197186476604, 3.567840260528228, 2.0565256999860897, 0.9641419931964551, 1.1379408102319997, 6.495987068210221, 0.7085583936966134, 0.8178375395746957, 2.8148878301329914, -0.33550543098... | {} | [
"mp-1120447"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[12], "int64", [8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8]]}, "positions": {"__ndarray__": [[12, 3], "float64", [1.999684171848995, 3.6935332043709996, 3.93966004836, 2.759324543462, 1.3536270336049998, 7.863320114243999, 1.080980175696, 0.41870440648999996, 1.926339449898, 3.682757813294995, 4.60... | {} | [
"mp-1180008"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6... | {} | [
"mp-1244964"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30... | {} | [
"mp-1244987"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [37, 37, 37, 37, 37, 37, 37, 37]]}, "positions": {"__ndarray__": [[8, 3], "float64", [2.2041556049010005, 6.932481442652, 2.0623775736809997, 5.219898764530006, 5.901974182150001, 6.89319284733299, 6.683361725861996, 5.016378082662002, 2.372962964064991, 3.8216181727539915, 1.... | {} | [
"mp-1179802"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22... | {} | [
"mp-1244924"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[80], "int64", [6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6]]}, "positions": {"__ndarray__": [[8... | {} | [
"mp-1197903"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14... | {} | [
"mp-1244971"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6... | {} | [
"mp-1245190"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30... | {} | [
"mp-1245266"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13... | {} | [
"mp-1245067"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14... | {} | [
"mp-1245041"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22... | {} | [
"mp-1245170"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14... | {} | [
"mp-1245242"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13... | {} | [
"mp-1245129"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13... | {} | [
"mp-1245152"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22... | {} | [
"mp-1245164"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26... | {} | [
"mp-1245108"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30... | {} | [
"mp-1245093"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30... | {} | [
"mp-1245184"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13... | {} | [
"mp-1245307"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [37, 37, 37, 37, 37, 37, 37, 37]]}, "positions": {"__ndarray__": [[8, 3], "float64", [-0.19148742997200774, 2.3660749771560003, 9.298095536478, -0.5217993441060045, 6.383586982311003, 1.4028018093179895, 0.15186364884399994, -1.658121231165, 6.64240485708, 3.8938132162420005, ... | {} | [
"mp-656615"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [14, 14, 14, 14, 14, 14, 14, 14]]}, "positions": {"__ndarray__": [[8, 3], "float64", [3.2516806289629954, 2.4636167815170023, 1.0703861979669926, 0.9108187268240031, 0.3751052103169986, 0.49628624657399784, -1.6479138045370043, -0.6447585418870032, 2.9577844605339996, 1.322882... | {} | [
"mp-644693"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [37, 37, 37, 37, 37, 37, 37, 37]]}, "positions": {"__ndarray__": [[8, 3], "float64", [-1.4771224250619992, 2.5599418673999996, 6.599329318400001, 0.7478008416040046, -0.7199523153900054, 1.8032172479999917, 0.5838065975919999, -2.09827469532001, 6.182801408000001, 5.4222917569... | {} | [
"mp-640416"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [14, 14, 14, 14, 14, 14, 14, 14]]}, "positions": {"__ndarray__": [[8, 3], "float64", [1.3202784961739982, 2.194289847255995, -7.905892997403, 0.4281084005350041, -1.1161316406669977, -8.100786255400992, -1.8530920634100017, -0.7703431211450054, -6.541373119938, 1.4160463322810... | {} | [
"mp-988210"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [14, 14, 14, 14, 14, 14, 14, 14]]}, "positions": {"__ndarray__": [[8, 3], "float64", [1.1575706219129982, 1.775660051786995, -7.905892997403, 0.31010650724800415, -1.4197377732899974, -8.100786255400992, -2.3288010909990016, -1.9942910943260053, -6.541373119938, 0.174074972678... | {} | [
"mp-1403870"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[100], "int64", [22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22... | {} | [
"mp-1245320"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[12], "int64", [5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5]]}, "positions": {"__ndarray__": [[12, 3], "float64", [2.8335751840389753, 0.21878546779494723, 4.210205626051514, -1.215819199139195, 0.8963618226508774, 1.9504341493923998, 2.1010339289159554, -1.3282416290792916, 6.593172136662957, -0.84... | {} | [
"mp-632401"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [14, 14, 14, 14, 14, 14, 14, 14]]}, "positions": {"__ndarray__": [[8, 3], "float64", [1.3777531133110021, -0.9618278904390047, 5.51849730074, 2.0712733301129997, 0.12830648005399986, 1.6754616626, -0.6367843385009999, 1.8898619986889997, 4.42193648458, -0.09223190540699788, 1.... | {} | [
"mp-676011"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[1], "int64", [29]]}, "positions": {"__ndarray__": [[1, 3], "float64", [-10.579528849671, -1.11910605, -13.80616967877]]}, "initial_magmoms": {"__ndarray__": [[1], "float64", [-0.10300000000000001]]}, "cell": {"__ndarray__": [[3, 3], "float64", [0.0, -2.2382121, 0.0, -11.3198294, 0.0, 2.394... | {} | [
"mp-1056079"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[25], "int64", [74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74]]}, "positions": {"__ndarray__": [[25, 3], "float64", [-4.533564, -1.3167214999999994, 1.2375995, -4.765650236384994, -1.3167214999999994, -16.138729244083983, -0.850718763615,... | {} | [
"mp-1191581"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[1], "int64", [8]]}, "positions": {"__ndarray__": [[1, 3], "float64", [0.760183, 0.5158155, 2.3000635]]}, "initial_magmoms": {"__ndarray__": [[1], "float64", [0.001]]}, "cell": {"__ndarray__": [[3, 3], "float64", [1.520366, 0.0, 0.0, 0.0, 3.095662, 0.0, 0.0, 1.031631, 4.600127]]}, "pbc": {"... | {} | [
"mp-1056831"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[20], "int64", [74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74]]}, "positions": {"__ndarray__": [[20, 3], "float64", [1.3188549537475311, 1.299933625, 14.210172251442405, 5.899068076252469, 1.299933625, 0.12082518855759561, -1.253812735316322, 1.299933625, 13... | {} | [
"mp-1178801"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[8], "int64", [6, 6, 6, 6, 6, 6, 6, 6]]}, "positions": {"__ndarray__": [[8, 3], "float64", [3.273177920474302, 2.8443199193023507, 2.844319902419853, 1.451227410474302, 1.5882668793023504, 1.5882668674198537, 2.362202450474302, -0.17676410569764922, 4.609351337419853, 0.5402519404743019, -1... | {} | [
"mp-1182029"
] |
pymatgen.io.ase | MSONAtoms | {"numbers": {"__ndarray__": [[30], "int64", [92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92]]}, "positions": {"__ndarray__": [[30, 3], "float64", [4.094815889859552, 0.0, 0.0, 1.2991258498595466, 5.078224145, 5.078224145, 1.5139552832584753, 1.1174... | {} | [
"mp-43"
] |
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