[CI] Unit test for io.qchem.outputs is failing

[DanielYang59]

Singled out from #3985 for visibility.

The following unit test for io.qchem.outputs is failing, need help:

pymatgen/tests/io/qchem/test_outputs.py

Lines 304 to 316 in 3fee7d5

	@pytest.mark.skip # self._test_property(key, single_outs, multi_outs) fails with
	# ValueError: The truth value of an array with more than one element is ambiguous
	@pytest.mark.skipif(openbabel is None, reason="OpenBabel not installed.")
	def test_all(self):
	single_outs = {file: QCOutput(f"{TEST_FILES_DIR}/molecules/{file}").data for file in single_job_out_names}
	multi_outs = {
	file: QCOutput.multiple_outputs_from_file(f"{TEST_FILES_DIR}/molecules/{file}", keep_sub_files=False)
	for file in multi_job_out_names
	}
	for key in property_list:
	self._test_property(key, single_outs, multi_outs)

It appears the dimension from out_data and SINGLE_JOB_DICT mismatch, with the former having one extra dimension for some reason (i.e. [[a, b, c], ] vs [a, b, c]).