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:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_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 13:47:53      -32.519341        0.6478
BFGS:    1 13:47:53      -32.554834        0.6118
BFGS:    2 13:47:53      -32.701550        0.4214
BFGS:    3 13:47:53      -32.758173        0.0998
BFGS:    4 13:47:53      -32.758475        0.0707
BFGS:    5 13:47:53      -32.758592        0.0661
BFGS:    6 13:47:53      -32.759826        0.0460
BFGS:    7 13:47:53      -32.759922        0.0437
BFGS:    8 13:47:53      -32.760095        0.0363
BFGS:    9 13:47:53      -32.760355        0.0314
BFGS:   10 13:47:53      -32.760805        0.0332
BFGS:   11 13:47:53      -32.761156        0.0208
BFGS:   12 13:47:53      -32.761272        0.0059
BFGS:   13 13:47:53      -32.761286        0.0009
BFGS:   14 13:47:53      -32.761286        0.0001
BFGS:   15 13:47:53      -32.761286        0.0000
BFGS:   16 13:47:53      -32.761286        0.0000
BFGS:   17 13:47:53      -32.761286        0.0000
BFGS:   18 13:47:53      -32.761286        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.638402599409093e-09 eV/Angstrom
Maximum stress component: 2.5719578571395757e-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 9.61663200e-33 6.45517469e-01]
 [8.43464626e-34 8.65496880e-33 3.54482531e-01]
 [5.00000000e-01 5.00000000e-01 1.45517469e-01]
 [5.00000000e-01 5.00000000e-01 8.54482531e-01]]
cellpar =  Cell([[3.204331736603714, -6.888935191642496e-38, 8.747790794248798e-33], [-2.3636403380063096e-37, 3.2043317366037143, -1.9847603172003354e-17], [2.8886980552196e-32, -7.037102439051144e-17, 10.905556572226407]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.96223285e-32  1.05722316e-26 -1.63840260e-09]
 [-2.96223285e-32 -1.05722266e-26  1.63840260e-09]
 [ 1.97482190e-32  1.05722118e-26 -1.63840260e-09]
 [-1.97482190e-32 -1.05722217e-26  1.63840260e-09]]
stress =  [-2.38347010e-10 -2.38347010e-10 -2.57195786e-10  1.03306369e-25
 -1.05817235e-33  4.69922925e-49]
energy per atom =  -5.460214375565106
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0