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:
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
==== 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 09:18:56      -22.539105        0.4613
BFGS:    1 09:18:56      -22.542381        0.4619
BFGS:    2 09:18:56      -22.568287        0.4594
BFGS:    3 09:18:56      -22.595501        0.4413
BFGS:    4 09:18:56      -22.623632        0.4104
BFGS:    5 09:18:56      -22.651560        0.3635
BFGS:    6 09:18:56      -22.678546        0.3737
BFGS:    7 09:18:56      -22.703935        0.4130
BFGS:    8 09:18:56      -22.727176        0.4442
BFGS:    9 09:18:56      -22.747836        0.4651
BFGS:   10 09:18:56      -22.765612        0.4728
BFGS:   11 09:18:56      -22.780323        0.4631
BFGS:   12 09:18:56      -22.791905        0.4304
BFGS:   13 09:18:56      -22.800421        0.3634
BFGS:   14 09:18:56      -22.805774        0.2675
BFGS:   15 09:18:56      -22.809918        0.2279
BFGS:   16 09:18:56      -22.816195        0.0874
BFGS:   17 09:18:56      -22.817523        0.0142
BFGS:   18 09:18:56      -22.817613        0.0037
BFGS:   19 09:18:56      -22.817615        0.0002
BFGS:   20 09:18:56      -22.817615        0.0000
BFGS:   21 09:18:56      -22.817615        0.0000
BFGS:   22 09:18:56      -22.817615        0.0000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8804677475042437e-11 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]
 [2.97971768e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.343654166213919, -1.2200188510366328e-36, -1.1259712564110193e-32], [-1.1557541458698591e-35, 4.343654166213918, -3.3829390857915995e-16], [2.112448428084792e-32, -2.396584041955178e-16, 4.343654166094554]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.88046775e-11  1.88046775e-11  6.99106804e-12 -1.18988091e-27
 -5.74531022e-44  2.58837992e-59]
energy per atom =  -5.704403794602863
===============================================
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.