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_MendelevKramerOtt_2009_CuZr__MO_600021860456_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 12:12:46      -32.764040         0.982625
BFGS:    1 12:12:46      -32.826867         0.833343
BFGS:    2 12:12:46      -32.971707         0.337225
BFGS:    3 12:12:46      -33.000153         0.125445
BFGS:    4 12:12:46      -33.000655         0.108021
BFGS:    5 12:12:46      -33.002044         0.058959
BFGS:    6 12:12:46      -33.003098         0.046375
BFGS:    7 12:12:46      -33.003566         0.021795
BFGS:    8 12:12:46      -33.003637         0.018311
BFGS:    9 12:12:46      -33.003656         0.018914
BFGS:   10 12:12:46      -33.003696         0.023684
BFGS:   11 12:12:46      -33.003790         0.029512
BFGS:   12 12:12:46      -33.003985         0.033742
BFGS:   13 12:12:46      -33.004274         0.029583
BFGS:   14 12:12:46      -33.004489         0.014691
BFGS:   15 12:12:46      -33.004548         0.004324
BFGS:   16 12:12:46      -33.004557         0.000731
BFGS:   17 12:12:46      -33.004557         0.000076
BFGS:   18 12:12:46      -33.004557         0.000007
BFGS:   19 12:12:46      -33.004557         0.000000
BFGS:   20 12:12:46      -33.004557         0.000000
Minimization converged after 20 steps.
Maximum force component: 3.964220958182528e-10 eV/Angstrom
Maximum stress component: 1.2040500159851626e-10 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]
 [0.00000000e+00 5.74434567e-33 6.46731762e-01]
 [1.64773635e-34 2.87217284e-33 3.53268238e-01]
 [5.00000000e-01 5.00000000e-01 1.46731762e-01]
 [5.00000000e-01 5.00000000e-01 8.53268238e-01]]
cellpar =  Cell([[3.2186307220538026, 5.569990099333112e-37, -3.683527877008342e-34], [-1.3693099312851517e-36, 3.218630722053804, 1.8958823266739366e-17], [4.747231417949212e-32, 6.531054377473037e-17, 10.945574064053803]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.23977146e-32  2.36535944e-27  3.96422096e-10]
 [ 2.35556577e-32 -2.36536440e-27 -3.96422096e-10]
 [ 4.95908583e-33  2.36537928e-27  3.96422096e-10]
 [ 1.23977146e-32 -2.36535944e-27 -3.96422096e-10]]
stress =  [ 5.31430151e-11  5.31430151e-11  1.20405002e-10 -6.83482958e-26
 -8.74683115e-35  4.66259339e-50]
energy per atom =  -5.5007595670747795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0