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 16:56:56      -22.539105         0.461283
BFGS:    1 16:56:56      -22.542381         0.461897
BFGS:    2 16:56:56      -22.568287         0.459408
BFGS:    3 16:56:56      -22.595501         0.441265
BFGS:    4 16:56:57      -22.623632         0.410438
BFGS:    5 16:56:57      -22.651560         0.363456
BFGS:    6 16:56:57      -22.678546         0.373687
BFGS:    7 16:56:57      -22.703935         0.412966
BFGS:    8 16:56:57      -22.727176         0.444217
BFGS:    9 16:56:57      -22.747836         0.465126
BFGS:   10 16:56:57      -22.765612         0.472750
BFGS:   11 16:56:57      -22.780323         0.463134
BFGS:   12 16:56:57      -22.791905         0.430407
BFGS:   13 16:56:57      -22.800421         0.363398
BFGS:   14 16:56:57      -22.805774         0.267540
BFGS:   15 16:56:57      -22.809918         0.227921
BFGS:   16 16:56:57      -22.816195         0.087406
BFGS:   17 16:56:57      -22.817523         0.014218
BFGS:   18 16:56:57      -22.817613         0.003684
BFGS:   19 16:56:57      -22.817615         0.000213
BFGS:   20 16:56:57      -22.817615         0.000004
BFGS:   21 16:56:57      -22.817615         0.000000
BFGS:   22 16:56:57      -22.817615         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8804980928805517e-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]
 [7.99924209e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.67538352e-33 5.00000000e-01]]
cellpar =  Cell([[4.343654166213919, -3.709577444792489e-36, -1.1939979036295328e-32], [2.77152700000239e-35, 4.343654166213919, 2.8301770930866304e-16], [3.275076782599631e-32, 2.1115538575629636e-16, 4.343654166094555]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.88049809e-11  1.88049809e-11  6.99137150e-12 -2.48905029e-27
 -8.90735692e-44 -2.02258211e-59]
energy per atom =  -5.704403794602861
===============================================
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.