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_CaiYe_1996_AlCu__MO_942551040047_005
==== 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 17:49:20       -7.004181        0.0331
BFGS:    1 17:49:20       -7.004223        0.0259
BFGS:    2 17:49:21       -7.004289        0.0002
BFGS:    3 17:49:21       -7.004289        0.0000
BFGS:    4 17:49:21       -7.004289        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4591104678390145e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.872389366272425, 7.15498182065204e-33, -5.2343146717584005e-34], [8.583414436083167e-33, 2.8723893662724254, 8.502486634172933e-22], [1.0671687131444506e-32, 8.502486634087105e-22, 2.872389366272425]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.45911047e-12  2.45911047e-12  2.45911047e-12  5.43295402e-28
 -2.48990392e-34 -2.55358439e-50]
energy per atom =  -3.502144529814233
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0