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 09:18:56      -22.303804        0.3120
BFGS:    1 09:18:56      -22.306209        0.2994
BFGS:    2 09:18:56      -22.319394        0.1355
BFGS:    3 09:18:56      -22.320082        0.1453
BFGS:    4 09:18:56      -22.328130        0.4391
BFGS:    5 09:18:56      -22.351690        0.5103
BFGS:    6 09:18:56      -22.380998        0.5479
BFGS:    7 09:18:56      -22.416209        0.5672
BFGS:    8 09:18:56      -22.457884        0.5718
BFGS:    9 09:18:56      -22.504556        0.5623
BFGS:   10 09:18:56      -22.550193        0.5325
BFGS:   11 09:18:56      -22.584512        0.4286
BFGS:   12 09:18:56      -22.608477        0.2896
BFGS:   13 09:18:56      -22.621672        0.1313
BFGS:   14 09:18:56      -22.624815        0.0031
BFGS:   15 09:18:56      -22.624815        0.0034
BFGS:   16 09:18:56      -22.624816        0.0000
BFGS:   17 09:18:56      -22.624816        0.0000
BFGS:   18 09:18:56      -22.624816        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.5985506866352046e-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]
 [1.80474618e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.324415841892987, -9.85686775816313e-35, -2.3379398002146638e-32], [1.348785300576386e-34, 4.324415841892986, 6.781010270818252e-20], [2.781491791914786e-33, 2.1128090345606344e-18, 4.324415842433179]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.59855069e-11 -4.59855069e-11  4.25614281e-11 -4.46680963e-27
  1.44182855e-34 -2.68904739e-50]
energy per atom =  -5.656204064101524
===============================================
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.