element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2717']
model name:
EAM_Mendelev_2019_CuZr__MO_945018740343_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2717, 0, 0], [0, 3.2717, 0], [0, 0, 3.2717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:30:28      -10.038281         0.089862
BFGS:    1 12:30:29      -10.038613         0.082619
BFGS:    2 12:30:29      -10.040930         0.031654
BFGS:    3 12:30:29      -10.041622         0.020806
BFGS:    4 12:30:29      -10.042454         0.009349
BFGS:    5 12:30:29      -10.042115         0.036583
BFGS:    6 12:30:29      -10.042517         0.004913
BFGS:    7 12:30:30      -10.042531         0.002254
BFGS:    8 12:30:30      -10.042535         0.000363
BFGS:    9 12:30:30      -10.042535         0.000021
BFGS:   10 12:30:30      -10.042535         0.000000
BFGS:   11 12:30:30      -10.042535         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.592193778479791e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.193687378820223, -2.3026327123745182e-32, 1.363477603201636e-32], [-2.0291170376106958e-32, 3.193687378820223, 4.752541641774811e-18], [1.8266448641772018e-32, 4.752541641774799e-18, 3.193687378820223]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.59219378e-12 -7.59219378e-12 -7.59219378e-12  1.03058191e-27
  6.59985418e-30 -6.94609102e-46]
energy per atom =  -5.021267415360487
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0