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_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
==== 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 15:56:45      -22.303804         0.312044
BFGS:    1 15:56:45      -22.306209         0.299433
BFGS:    2 15:56:45      -22.319394         0.135519
BFGS:    3 15:56:45      -22.320082         0.145271
BFGS:    4 15:56:45      -22.328130         0.439069
BFGS:    5 15:56:45      -22.351690         0.510321
BFGS:    6 15:56:46      -22.380998         0.547852
BFGS:    7 15:56:46      -22.416209         0.567200
BFGS:    8 15:56:46      -22.457884         0.571795
BFGS:    9 15:56:46      -22.504556         0.562282
BFGS:   10 15:56:46      -22.550193         0.532467
BFGS:   11 15:56:46      -22.584512         0.428626
BFGS:   12 15:56:46      -22.608477         0.289585
BFGS:   13 15:56:46      -22.621672         0.131278
BFGS:   14 15:56:46      -22.624815         0.003112
BFGS:   15 15:56:46      -22.624815         0.003446
BFGS:   16 15:56:46      -22.624816         0.000009
BFGS:   17 15:56:46      -22.624816         0.000000
BFGS:   18 15:56:46      -22.624816         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.598530574160748e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr', 'Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[4.324415841892986, -1.6287351262316919e-34, 8.78977336193089e-32], [7.534508058691401e-35, 4.324415841892987, 6.246336929154175e-17], [4.11826595373189e-34, 5.640567521176279e-17, 4.324415842433181]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.59853057e-11 -4.59853057e-11  4.25619141e-11  5.17157523e-27
  3.08963262e-35 -5.96932114e-52]
energy per atom =  -5.656204064101521
===============================================
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.