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_Mendelev_2019_CuZr__MO_945018740343_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 15:56:19      -22.649890         0.659039
BFGS:    1 15:56:19      -22.657299         0.610529
BFGS:    2 15:56:19      -22.682784         0.319515
BFGS:    3 15:56:19      -22.688302         0.211144
BFGS:    4 15:56:19      -22.689730         0.209915
BFGS:    5 15:56:19      -22.703131         0.132134
BFGS:    6 15:56:19      -22.708140         0.046400
BFGS:    7 15:56:19      -22.708656         0.010360
BFGS:    8 15:56:20      -22.708687         0.000718
BFGS:    9 15:56:20      -22.708687         0.000110
BFGS:   10 15:56:20      -22.708687         0.000014
BFGS:   11 15:56:20      -22.708687         0.000000
BFGS:   12 15:56:20      -22.708687         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.427153596947859e-10 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]
 [1.51162231e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.28756636e-36 5.00000000e-01]]
cellpar =  Cell([[4.552968736058338, -8.62633482364486e-37, 2.494453669814817e-32], [-1.9778732451708623e-36, 4.552968736058338, -3.7093582951594103e-19], [-1.3589215829010458e-33, -3.0627424907925417e-19, 3.968517651643798]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.42715360e-10 -3.42715360e-10 -3.72998764e-11  2.81277343e-26
  1.11767983e-29 -1.71873578e-45]
energy per atom =  -5.677171800796854
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0