Traceback (most recent call last): File "/scratch/08773/bwaters/jobs/jobs/6748e8d6-5c7e-489b-a40d-d4a707eb124b-007/TE_594176935620_001-and-SM_503555646986_000-1753835335/staged_job_files/repository/te/ElasticConstantsCrystal_A_hP58_164_2d3i3j_Si__TE_594176935620_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/6748e8d6-5c7e-489b-a40d-d4a707eb124b-007/TE_594176935620_001-and-SM_503555646986_000-1753835335/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":10856.08,"usertime":497.28,"systime":797.95,"memmax":356300,"memavg":0}