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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 15:56:59      -24.249728         0.098384
BFGS:    1 15:56:59      -24.250051         0.086973
BFGS:    2 15:56:59      -24.251082         0.027242
BFGS:    3 15:56:59      -24.251094         0.026940
BFGS:    4 15:56:59      -24.252690         0.017178
BFGS:    5 15:56:59      -24.254143         0.016564
BFGS:    6 15:56:59      -24.255757         0.022529
BFGS:    7 15:56:59      -24.257883         0.041266
BFGS:    8 15:56:59      -24.260799         0.062431
BFGS:    9 15:56:59      -24.264578         0.080167
BFGS:   10 15:56:59      -24.269048         0.090214
BFGS:   11 15:57:00      -24.273726         0.090727
BFGS:   12 15:57:00      -24.277973         0.081234
BFGS:   13 15:57:00      -24.281114         0.058776
BFGS:   14 15:57:00      -24.282575         0.021381
BFGS:   15 15:57:00      -24.282658         0.006312
BFGS:   16 15:57:00      -24.282664         0.000882
BFGS:   17 15:57:00      -24.282664         0.000001
BFGS:   18 15:57:00      -24.282664         0.000000
BFGS:   19 15:57:00      -24.282664         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.082198539615635e-12 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([[4.310813537590955, 4.856456497940171e-37, -2.041360661626568e-32], [-1.4747080894601716e-37, 4.310813537590957, 3.4285705082691964e-17], [4.7282260536524376e-32, 2.855512383014699e-17, 4.310813537593263]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.99468611e-12 1.99468611e-12 2.08219854e-12 1.33046009e-27
 8.29109701e-35 2.70574119e-50]
energy per atom =  -6.0706660533591865
===============================================
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.