element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6201', '0.81967923']
model name:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.6201, 0, 0], [0, 4.6201, 0], [0, 0, 3.787]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:25      -22.275096         0.118149
BFGS:    1 15:56:25      -22.275502         0.110883
BFGS:    2 15:56:25      -22.279828         0.202152
BFGS:    3 15:56:25      -22.280461         0.211232
BFGS:    4 15:56:25      -22.287826         0.279751
BFGS:    5 15:56:25      -22.294585         0.321628
BFGS:    6 15:56:25      -22.300637         0.346331
BFGS:    7 15:56:25      -22.306252         0.354351
BFGS:    8 15:56:25      -22.311606         0.346535
BFGS:    9 15:56:25      -22.316994         0.321843
BFGS:   10 15:56:25      -22.322566         0.280446
BFGS:   11 15:56:25      -22.328254         0.224277
BFGS:   12 15:56:25      -22.333655         0.156801
BFGS:   13 15:56:25      -22.337925         0.086292
BFGS:   14 15:56:25      -22.339555         0.015244
BFGS:   15 15:56:25      -22.339597         0.003317
BFGS:   16 15:56:25      -22.339604         0.000865
BFGS:   17 15:56:25      -22.339605         0.000254
BFGS:   18 15:56:25      -22.339605         0.000030
BFGS:   19 15:56:25      -22.339605         0.000001
BFGS:   20 15:56:25      -22.339605         0.000000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.123626634468133e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [3.50551396e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.43001590e-33 5.00000000e-01]]
cellpar =  Cell([[4.309725389197592, -1.449286222625293e-35, 5.464281399013897e-32], [8.624068963681807e-36, 4.309725389197591, 4.6000706877028104e-17], [-3.240898515833725e-32, 3.648158745040327e-17, 4.309725346611895]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.63933744e-10  2.63933744e-10 -5.12362663e-10  2.35606409e-25
  8.29528499e-35 -2.97492752e-50]
energy per atom =  -5.5849012241883145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.