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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_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 16:52:51      -32.833453         0.943931
BFGS:    1 16:52:51      -32.881462         0.814512
BFGS:    2 16:52:51      -32.997605         0.348599
BFGS:    3 16:52:51      -33.024893         0.168976
BFGS:    4 16:52:51      -33.025769         0.167952
BFGS:    5 16:52:51      -33.028077         0.138938
BFGS:    6 16:52:52      -33.029891         0.086495
BFGS:    7 16:52:52      -33.030804         0.041821
BFGS:    8 16:52:52      -33.030975         0.034514
BFGS:    9 16:52:52      -33.031047         0.033773
BFGS:   10 16:52:52      -33.031259         0.029490
BFGS:   11 16:52:52      -33.031599         0.032438
BFGS:   12 16:52:52      -33.032007         0.030458
BFGS:   13 16:52:52      -33.032207         0.013547
BFGS:   14 16:52:53      -33.032245         0.001895
BFGS:   15 16:52:53      -33.032247         0.000160
BFGS:   16 16:52:53      -33.032247         0.000008
BFGS:   17 16:52:53      -33.032247         0.000000
BFGS:   18 16:52:53      -33.032247         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.966388015292953e-09 eV/Angstrom
Maximum stress component: 1.5390834155830566e-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 1.90595441e-33 6.45093266e-01]
 [2.15303545e-34 4.76488602e-34 3.54906734e-01]
 [5.00000000e-01 5.00000000e-01 1.45093266e-01]
 [5.00000000e-01 5.00000000e-01 8.54906734e-01]]
cellpar =  Cell([[3.233537903683859, -2.536985988624355e-36, 8.440798020785394e-33], [1.288327258975342e-37, 3.2335379036838594, 3.6869124957301125e-18], [-2.5100066845014263e-32, 1.2937709273117485e-17, 11.354430710399798]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.96410796e-33  2.24060399e-27  1.96638802e-09]
 [-9.96410796e-33 -2.24062392e-27 -1.96638802e-09]
 [-2.49102699e-32  2.24060399e-27  1.96638802e-09]
 [ 4.98205398e-33 -2.24062392e-27 -1.96638802e-09]]
stress =  [-5.79968432e-12 -5.79968432e-12 -1.53908342e-10 -1.37089620e-25
  4.18231953e-42  3.72528607e-57]
energy per atom =  -5.505374420591875
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0