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 13:48:09      -32.454273        0.8290
BFGS:    1 13:48:09      -32.491226        0.7007
BFGS:    2 13:48:09      -32.578301        0.1650
BFGS:    3 13:48:09      -32.583564        0.0889
BFGS:    4 13:48:09      -32.583848        0.0861
BFGS:    5 13:48:09      -32.585089        0.0482
BFGS:    6 13:48:09      -32.585677        0.0275
BFGS:    7 13:48:09      -32.585896        0.0200
BFGS:    8 13:48:09      -32.585926        0.0246
BFGS:    9 13:48:09      -32.585953        0.0265
BFGS:   10 13:48:09      -32.586041        0.0314
BFGS:   11 13:48:09      -32.586354        0.0459
BFGS:   12 13:48:09      -32.589526        0.1558
BFGS:   13 13:48:09      -32.599637        0.2225
BFGS:   14 13:48:09      -32.615772        0.3186
BFGS:   15 13:48:09      -32.627350        0.4216
BFGS:   16 13:48:09      -32.635880        0.4641
BFGS:   17 13:48:09      -32.646600        0.4404
BFGS:   18 13:48:09      -32.659424        0.3581
BFGS:   19 13:48:09      -32.673500        0.2764
BFGS:   20 13:48:09      -32.685879        0.1249
BFGS:   21 13:48:09      -32.689068        0.0804
BFGS:   22 13:48:09      -32.691996        0.0511
BFGS:   23 13:48:10      -32.692431        0.0183
BFGS:   24 13:48:10      -32.692485        0.0009
BFGS:   25 13:48:10      -32.692486        0.0001
BFGS:   26 13:48:10      -32.692486        0.0000
BFGS:   27 13:48:10      -32.692486        0.0000
BFGS:   28 13:48:10      -32.692486        0.0000
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