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:
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_001
==== 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 16:18:06      -33.015991         0.470941
BFGS:    1 16:18:06      -33.024364         0.441568
BFGS:    2 16:18:06      -33.056747         0.210182
BFGS:    3 16:18:06      -33.057986         0.165356
BFGS:    4 16:18:06      -33.059156         0.135588
BFGS:    5 16:18:06      -33.063551         0.124645
BFGS:    6 16:18:06      -33.067561         0.159368
BFGS:    7 16:18:06      -33.070726         0.162123
BFGS:    8 16:18:06      -33.072247         0.139024
BFGS:    9 16:18:06      -33.073717         0.102486
BFGS:   10 16:18:06      -33.075695         0.083351
BFGS:   11 16:18:06      -33.077430         0.054566
BFGS:   12 16:18:06      -33.078110         0.016607
BFGS:   13 16:18:06      -33.078197         0.003991
BFGS:   14 16:18:06      -33.078201         0.000447
BFGS:   15 16:18:06      -33.078201         0.000050
BFGS:   16 16:18:06      -33.078201         0.000014
BFGS:   17 16:18:06      -33.078201         0.000002
BFGS:   18 16:18:06      -33.078201         0.000000
BFGS:   19 16:18:06      -33.078201         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.2685195834603045e-09 eV/Angstrom
Maximum stress component: 3.1505840111495246e-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]
 [3.34242127e-33 1.50824685e-32 6.52796157e-01]
 [0.00000000e+00 5.65592569e-33 3.47203843e-01]
 [5.00000000e-01 5.00000000e-01 1.52796157e-01]
 [5.00000000e-01 5.00000000e-01 8.47203843e-01]]
cellpar =  Cell([[3.268948089796896, -3.616415940532875e-37, -9.053622199322462e-32], [1.2224268276934704e-36, 3.268948089796897, 3.441262010577471e-17], [-1.5343263351024752e-32, 1.182408705359063e-16, 10.782901509558622]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.65085920e-42 -3.58412500e-26 -3.26851958e-09]
 [-4.65085920e-42  3.58412513e-26  3.26851958e-09]
 [ 4.65085920e-42 -3.58412437e-26 -3.26851958e-09]
 [-4.65085920e-42  3.58412450e-26  3.26851958e-09]]
stress =  [5.74356850e-11 5.74356850e-11 3.15058401e-10 6.55135213e-26
 1.74842412e-34 3.88228143e-50]
energy per atom =  -5.513033495241888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0