Traceback (most recent call last): File "/scratch.global/bwaters/jobs/7a87bcdb-0cda-4a4d-be8f-daa7f3c05496-007/TE_164647909782_001-and-SM_503555646986_000-1753834381/staged_job_files/repository/te/ElasticConstantsCrystal_A_cI16_206_c_Si__TE_164647909782_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 "/scratch.global/bwaters/jobs/7a87bcdb-0cda-4a4d-be8f-daa7f3c05496-007/TE_164647909782_001-and-SM_503555646986_000-1753834381/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":429.15,"usertime":301.68,"systime":447.82,"memmax":301476,"memavg":0}