Traceback (most recent call last): File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 154, in get_lattice_constant xtol=1e-8, File "/usr/local/lib/python3.6/dist-packages/scipy/optimize/optimize.py", line 443, in fmin res = _minimize_neldermead(func, x0, args, callback=callback, **opts) File "/usr/local/lib/python3.6/dist-packages/scipy/optimize/optimize.py", line 602, in _minimize_neldermead fxr = func(xr) File "/usr/local/lib/python3.6/dist-packages/scipy/optimize/optimize.py", line 327, in function_wrapper return function(*(wrapper_args + args)) File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 70, in energy "".format(a, min_allowed_latconst)) RuntimeError: Attempted to evaluate energy at lattice spacing ([-1.]) below the minimum allowed value (1.1286632665533576). This may mean that the model does not possess close-range repulsive forces to prevent system collapse. During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 254, in model=model, symbol=symbol, lattice=lattice, maxiter=500 File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 168, in get_lattice_constant "relaxation".format(max_init_guess, ".1f") RuntimeError: Exceeded maximum of 10.0 for initial lattice constant guess for relaxation Command exited with non-zero status 1 {"usertime":1.83,"memmax":113668,"memavg":0}