element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233', '3.4789978', '0.65461215']
model name:
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.65461215]]
spacegroup =  139
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 11.2476]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:52:49      -32.454273         0.829044
BFGS:    1 16:52:49      -32.491226         0.700678
BFGS:    2 16:52:49      -32.578301         0.165002
BFGS:    3 16:52:49      -32.583564         0.088876
BFGS:    4 16:52:49      -32.583848         0.086112
BFGS:    5 16:52:50      -32.585089         0.048179
BFGS:    6 16:52:50      -32.585677         0.027455
BFGS:    7 16:52:50      -32.585896         0.020047
BFGS:    8 16:52:50      -32.585926         0.024601
BFGS:    9 16:52:50      -32.585953         0.026510
BFGS:   10 16:52:50      -32.586041         0.031370
BFGS:   11 16:52:50      -32.586354         0.045869
BFGS:   12 16:52:51      -32.589526         0.155785
BFGS:   13 16:52:51      -32.599637         0.222462
BFGS:   14 16:52:51      -32.615772         0.318612
BFGS:   15 16:52:51      -32.627350         0.421601
BFGS:   16 16:52:51      -32.635880         0.464139
BFGS:   17 16:52:51      -32.646600         0.440397
BFGS:   18 16:52:51      -32.659424         0.358060
BFGS:   19 16:52:51      -32.673500         0.276389
BFGS:   20 16:52:51      -32.685879         0.124866
BFGS:   21 16:52:52      -32.689068         0.080390
BFGS:   22 16:52:52      -32.691996         0.051081
BFGS:   23 16:52:52      -32.692431         0.018322
BFGS:   24 16:52:52      -32.692485         0.000891
BFGS:   25 16:52:52      -32.692486         0.000092
BFGS:   26 16:52:52      -32.692486         0.000003
BFGS:   27 16:52:52      -32.692486         0.000000
BFGS:   28 16:52:52      -32.692486         0.000000
Minimization converged after 28 steps.
Maximum force component: 6.113823530361731e-10 eV/Angstrom
Maximum stress component: 2.7310577296097783e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.64457269e-33 6.80650340e-33 6.48787949e-01]
 [5.50708895e-33 0.00000000e+00 3.51212051e-01]
 [5.00000000e-01 5.00000000e-01 1.48787949e-01]
 [5.00000000e-01 5.00000000e-01 8.51212051e-01]]
cellpar =  Cell([[3.395452553096276, -9.339554053784755e-36, -2.0076860197787786e-32], [-1.0319285500019919e-35, 3.3954525530962774, 3.0741155460068585e-18], [-1.2049333548774163e-33, 6.541876431504198e-18, 10.496667133729291]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.01817996e-44 -3.81034071e-28 -6.11382353e-10]
 [-7.01817996e-44  3.81023608e-28  6.11382353e-10]
 [ 7.01817996e-44 -3.81028839e-28 -6.11382353e-10]
 [-7.01817996e-44  3.81028839e-28  6.11382353e-10]]
stress =  [ 2.73105773e-11  2.73105773e-11  2.33756033e-11 -2.87524100e-26
 -8.64592327e-35  1.09974139e-49]
energy per atom =  -5.4487476115968585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0