element(s):
['Al']
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:
['3.233']
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 =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:15:35       -6.601872         0.233573
BFGS:    1 11:15:36       -6.604026         0.196856
BFGS:    2 11:15:36       -6.609266         0.002253
BFGS:    3 11:15:36       -6.609267         0.000019
BFGS:    4 11:15:37       -6.609267         0.000000
BFGS:    5 11:15:37       -6.609267         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.598774471716091e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.199011772400413, -4.074850231115081e-34, -9.422658689051359e-34], [-8.106796428740883e-36, 3.199011772400413, 2.6158159645418023e-20], [-8.924302606367652e-34, 2.6158159645417132e-20, 3.199011772400413]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.59877447e-15 2.59877447e-15 2.59877447e-15 1.41683606e-31
 3.01112505e-34 2.85207477e-50]
energy per atom =  -3.304633561118534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0