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_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_001
==== 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 16:05:13       -6.966924         0.003058
BFGS:    1 16:05:13       -6.966924         0.002365
BFGS:    2 16:05:13       -6.966925         0.000001
BFGS:    3 16:05:13       -6.966925         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.976578782616225e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.875223138415234, -1.406624131401194e-33, 3.06672535387842e-35], [-1.4289313328609458e-33, 2.8752231384152345, -4.142711149148412e-24], [-1.4888951988735693e-35, -4.142711148902801e-24, 2.875223138415234]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.97657878e-11 3.97657878e-11 3.97657878e-11 1.93903291e-28
 2.48499832e-34 5.37379522e-52]
energy per atom =  -3.4834624441743367
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0