element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:40      -13.442930         0.064768
BFGS:    1 16:12:40      -13.443101         0.058961
BFGS:    2 16:12:40      -13.443937         0.000453
BFGS:    3 16:12:40      -13.443937         0.000003
BFGS:    4 16:12:40      -13.443937         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.574853024712075e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.049493289158938, 1.888427941621794e-39, -1.216616835180675e-40], [1.9358383806646786e-39, 4.049493289158938, 1.2575043863010547e-36], [1.204805235593391e-40, 1.257516729915973e-36, 4.049493289158938]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.57485302e-12 -8.57485302e-12 -8.57485302e-12 -4.55523565e-31
 -5.01103958e-34  6.81768275e-54]
energy per atom =  -3.3609842355247084
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0