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:
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_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 17:49:21       -7.022970        0.0566
BFGS:    1 17:49:21       -7.023092        0.0446
BFGS:    2 17:49:21       -7.023288        0.0017
BFGS:    3 17:49:21       -7.023288        0.0000
BFGS:    4 17:49:21       -7.023288        0.0000
BFGS:    5 17:49:21       -7.023288        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3524913707271102e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8701709926640864, 3.579185901776462e-34, -2.261665912213017e-33], [-4.115100674314721e-33, 2.870170992664087, -1.3800290008296803e-21], [4.1019496499321175e-34, -1.3800290008296801e-21, 2.8701709926640864]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.35249137e-13 -1.35249137e-13 -1.35249137e-13  3.46155550e-29
 -9.97501733e-34  1.63900333e-49]
energy per atom =  -3.511643927291297
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0