element(s):
['Cu']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8755']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:15       -6.851182         0.100601
BFGS:    1 16:05:15       -6.851569         0.078617
BFGS:    2 16:05:15       -6.852171         0.000665
BFGS:    3 16:05:15       -6.852171         0.000004
BFGS:    4 16:05:15       -6.852171         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6945995969212935e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8661062261094603, -3.914338852888135e-37, -6.308856626571275e-34], [-7.13981321510885e-34, 2.8661062261094608, -2.601310607499807e-21], [4.343162198218865e-34, -2.601310607499975e-21, 2.8661062261094603]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.69459960e-11  1.69459960e-11  1.69459960e-11  1.81998057e-27
 -6.25208182e-35 -1.61207056e-51]
energy per atom =  -3.4260855010130884
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0