element(s):
['Cu']
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:
['3.6146']
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 =  225
cell =  [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:09:04      -14.159998         0.003393
BFGS:    1 15:09:04      -14.159998         0.003021
BFGS:    2 15:09:04      -14.160000         0.000002
BFGS:    3 15:09:04      -14.160000         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.835618294163e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.03232068e-40 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6150002075272702, 8.879348598542179e-34, -6.35873145415264e-36], [9.944961288431956e-34, 3.6150002075272702, -5.8603052157972866e-24], [-5.369074392008858e-44, -5.860305215797287e-24, 3.6150002075272702]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.83561829e-11 -6.83561829e-11 -6.83561829e-11 -9.39867257e-29
 -3.43875011e-35 -5.73857480e-53]
energy per atom =  -3.5400000133728966
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0