Traceback (most recent call last):
  File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 290, in <module>
    main()
  File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 255, in main
    a, c, energy = getLatticeConstant(elem, model)
  File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 163, in getLatticeConstant
    cache
  File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 119, in searchLatticeConstants
    xtol = FMIN_XTOL,
  File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 381, in fmin
    res = _minimize_neldermead(func, x0, args, callback=callback, **opts)
  File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 439, in _minimize_neldermead
    fsim[0] = func(x0)
  File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 289, in function_wrapper
    return function(*(wrapper_args + args))
  File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 106, in getEnergy
    energy = atoms.get_potential_energy() / nAtoms
  File "/usr/local/lib/python2.7/dist-packages/ase/atoms.py", line 681, in get_potential_energy
    energy = self._calc.get_potential_energy(self)
  File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 414, in get_potential_energy
    energy = self.get_property('energy', atoms)
  File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 459, in get_property
    self.calculate(atoms, [name], system_changes)
  File "/usr/local/lib/python2.7/dist-packages/kimpy/calculator.py", line 300, in calculate
    self.update_kim_and_neigh(atoms)
  File "/usr/local/lib/python2.7/dist-packages/kimpy/calculator.py", line 173, in update_kim_and_neigh
    cell.ravel(), pbc, self.cutoff, coords, particle_code)
MemoryError: std::bad_alloc
Command exited with non-zero status 1
{"usertime":18.06,"memmax":22448636,"memavg":0}