Traceback (most recent call last): File "/anvil/scratch/x-bwaters/jobs/jobs/d7a14bd8-4fa9-4a48-a141-0bbab196303a-007/TE_794756490150_001-and-SM_606253546840_000-1753834916/staged_job_files/repository/te/ElasticConstantsCrystal_A_hP2_194_c_Si__TE_794756490150_001/../../td/ElasticConstantsCrystal__TD_034002468289_001/runner", line 58, in test( File "/usr/local/lib/python3.10/dist-packages/kim_tools/test_driver/core.py", line 578, in __call__ self._calculate(**kwargs) File "/anvil/scratch/x-bwaters/jobs/jobs/d7a14bd8-4fa9-4a48-a141-0bbab196303a-007/TE_794756490150_001-and-SM_606253546840_000-1753834916/staged_job_files/repository/td/ElasticConstantsCrystal__TD_034002468289_001/test_driver/test_driver.py", line 315, in _calculate assert extrap_err_undef, ( AssertionError: Unexpectedly got a NaN extrapolation error. This should only happen if a user asked for a single strain step Command exited with non-zero status 1 {"realtime":280.87,"usertime":227.51,"systime":88.07,"memmax":290484,"memavg":0}