element(s):
['Co', 'Fe']
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:
['4.1168', '0.73625146']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.1168, 0, 0], [0, 4.1168, 0], [0, 0, 3.031]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:42:14      -16.985211         1.380262
BFGS:    1 14:42:14      -17.047432         1.257556
BFGS:    2 14:42:14      -17.171937         0.909291
BFGS:    3 14:42:14      -17.246274         0.508119
BFGS:    4 14:42:14      -17.267746         0.113407
BFGS:    5 14:42:14      -17.268306         0.109406
BFGS:    6 14:42:14      -17.268893         0.129476
BFGS:    7 14:42:14      -17.271054         0.161226
BFGS:    8 14:42:14      -17.273519         0.146742
BFGS:    9 14:42:14      -17.275538         0.076516
BFGS:   10 14:42:14      -17.276139         0.020193
BFGS:   11 14:42:14      -17.276194         0.001894
BFGS:   12 14:42:14      -17.276195         0.000179
BFGS:   13 14:42:14      -17.276195         0.000010
BFGS:   14 14:42:14      -17.276195         0.000000
BFGS:   15 14:42:14      -17.276195         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.990406415448649e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [1.11412379e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.030292457445543, 3.6750261529561787e-34, 6.50340991521811e-33], [2.509973109839876e-34, 4.030292457445543, -5.0962104866547185e-19], [5.434280290028943e-33, -3.6440328270944304e-19, 2.8411207550334074]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.99040642e-11 -9.99040642e-11 -1.28394550e-11 -4.47878238e-27
  6.72781783e-35 -8.57669543e-52]
energy per atom =  -4.319048801008558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0