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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 13:14:31      -35.869186         1.015962
BFGS:    1 13:14:31      -35.904978         0.966506
BFGS:    2 13:14:31      -36.000984         0.778635
BFGS:    3 13:14:31      -36.057723         0.566802
BFGS:    4 13:14:31      -36.079432         0.340128
BFGS:    5 13:14:31      -36.083595         0.283208
BFGS:    6 13:14:31      -36.095947         0.205186
BFGS:    7 13:14:31      -36.101699         0.246578
BFGS:    8 13:14:31      -36.105536         0.237007
BFGS:    9 13:14:31      -36.110405         0.207543
BFGS:   10 13:14:31      -36.121816         0.260131
BFGS:   11 13:14:31      -36.133584         0.294157
BFGS:   12 13:14:31      -36.145226         0.295143
BFGS:   13 13:14:32      -36.156406         0.273300
BFGS:   14 13:14:32      -36.166509         0.229122
BFGS:   15 13:14:32      -36.174593         0.154715
BFGS:   16 13:14:32      -36.178393         0.029560
BFGS:   17 13:14:32      -36.178750         0.014673
BFGS:   18 13:14:32      -36.178859         0.001977
BFGS:   19 13:14:32      -36.178860         0.000191
BFGS:   20 13:14:32      -36.178860         0.000003
BFGS:   21 13:14:32      -36.178860         0.000000
BFGS:   22 13:14:32      -36.178860         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.6403784884729557e-13 eV/Angstrom
Maximum stress component: 5.2016193089338406e-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]
 [0.00000000e+00 0.00000000e+00 6.51971128e-01]
 [1.99928079e-34 3.72926598e-33 3.48028872e-01]
 [5.00000000e-01 5.00000000e-01 1.51971128e-01]
 [5.00000000e-01 5.00000000e-01 8.48028872e-01]]
cellpar =  Cell([[3.3051950983649614, 4.927866500156479e-35, -1.2325235780865542e-31], [3.369649172152725e-36, 3.305195098364961, 6.077272156281807e-17], [-4.478261479630603e-33, 1.916848209629793e-16, 10.113821737229442]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.26337085e-47 -3.12933957e-30 -1.64037849e-13]
 [-7.26337085e-47  3.14970941e-30  1.64037849e-13]
 [ 1.01849187e-32 -3.12933957e-30 -1.64037849e-13]
 [ 1.01849187e-32  3.14970941e-30  1.64037849e-13]]
stress =  [-4.98270347e-11 -4.98270347e-11 -5.20161931e-11  4.36231021e-26
  3.68729653e-34 -3.34863623e-49]
energy per atom =  -6.029809948849684
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0