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Duplicate
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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 dataset

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@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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