Traceback (most recent call last): File "/scratch/08773/bwaters/jobs/jobs/a7c93b35-61ae-4a8a-9254-0a4283f87006-007/TE_329558241498_001-and-SM_606253546840_000-1753833940/staged_job_files/repository/te/ElasticConstantsCrystal_A_cF4_225_a_Si__TE_329558241498_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/08773/bwaters/jobs/jobs/a7c93b35-61ae-4a8a-9254-0a4283f87006-007/TE_329558241498_001-and-SM_606253546840_000-1753833940/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":707.20,"usertime":310.56,"systime":111.19,"memmax":282208,"memavg":0}