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_2016_AlCu__SM_566399258279_001
==== 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 10:09:20      -13.442930         0.064768
BFGS:    1 10:09:20      -13.443101         0.058961
BFGS:    2 10:09:20      -13.443937         0.000453
BFGS:    3 10:09:20      -13.443937         0.000003
BFGS:    4 10:09:20      -13.443937         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.574582455705569e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.81426148e-40]]
cellpar =  Cell([[4.049493289158939, 9.198348765655819e-40, 4.902194182021371e-34], [6.341401006142346e-35, 4.049493289158939, 9.188696624645176e-24], [5.10609591719434e-35, 9.188696624772003e-24, 4.049493289158939]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.57458246e-12 -8.57458246e-12 -8.57458246e-12  4.69026019e-27
 -3.78718585e-62  8.24011721e-62]
energy per atom =  -3.360984235524709
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0