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 13:14:20      -32.454273         0.829044
BFGS:    1 13:14:20      -32.491226         0.700678
BFGS:    2 13:14:20      -32.578301         0.165002
BFGS:    3 13:14:20      -32.583564         0.088876
BFGS:    4 13:14:20      -32.583848         0.086112
BFGS:    5 13:14:20      -32.585089         0.048179
BFGS:    6 13:14:20      -32.585677         0.027455
BFGS:    7 13:14:20      -32.585896         0.020047
BFGS:    8 13:14:20      -32.585926         0.024601
BFGS:    9 13:14:20      -32.585953         0.026510
BFGS:   10 13:14:20      -32.586041         0.031370
BFGS:   11 13:14:20      -32.586354         0.045869
BFGS:   12 13:14:20      -32.589526         0.155785
BFGS:   13 13:14:20      -32.599637         0.222462
BFGS:   14 13:14:20      -32.615772         0.318612
BFGS:   15 13:14:20      -32.627350         0.421601
BFGS:   16 13:14:20      -32.635880         0.464139
BFGS:   17 13:14:20      -32.646600         0.440397
BFGS:   18 13:14:20      -32.659424         0.358060
BFGS:   19 13:14:20      -32.673500         0.276389
BFGS:   20 13:14:20      -32.685879         0.124866
BFGS:   21 13:14:20      -32.689068         0.080390
BFGS:   22 13:14:20      -32.691996         0.051081
BFGS:   23 13:14:20      -32.692431         0.018322
BFGS:   24 13:14:20      -32.692485         0.000891
BFGS:   25 13:14:20      -32.692486         0.000092
BFGS:   26 13:14:20      -32.692486         0.000003
BFGS:   27 13:14:20      -32.692486         0.000000
BFGS:   28 13:14:20      -32.692486         0.000000
Minimization converged after 28 steps.
Maximum force component: 6.113795919700749e-10 eV/Angstrom
Maximum stress component: 2.7310421565749386e-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]
 [4.73409044e-34 0.00000000e+00 6.48787949e-01]
 [0.00000000e+00 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([[3.3954525530962765, -1.8529591892990448e-35, -2.9908739293757826e-32], [-2.1212343755392984e-35, 3.3954525530962765, -1.3963902981563038e-16], [-7.652092839463292e-33, -4.634524671898744e-16, 10.496667133729293]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.23152300e-33  2.69938426e-26 -6.11379592e-10]
 [ 4.57758262e-33 -2.69938426e-26  6.11379592e-10]
 [ 9.15516525e-33  2.69938426e-26 -6.11379592e-10]
 [-9.15516525e-33 -2.69938426e-26  6.11379592e-10]]
stress =  [ 2.73104216e-11  2.73104216e-11  2.33754895e-11  1.86407541e-26
 -2.59377698e-34 -2.06840411e-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