element(s):
['Al', 'Co']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.9525']
Parameter values for parameter set 1:
['2.8121']
model name:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9525, 0, 0], [0, 2.9525, 0], [0, 0, 2.9525]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:59       -8.798544         1.008353
BFGS:    1 12:16:59       -8.837890         0.809782
BFGS:    2 12:16:59       -8.899966         0.020759
BFGS:    3 12:16:59       -8.899999         0.002923
BFGS:    4 12:16:59       -8.900000         0.000009
BFGS:    5 12:16:59       -8.900000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.003716441645368e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8590385482243117, 3.506083203150667e-33, -1.1619893602571364e-33], [6.594281662459696e-34, 2.8590385482243117, 1.6212427159092518e-19], [9.248848239685902e-34, 1.621242715909195e-19, 2.8590385482243117]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.00371644e-10 -3.00371644e-10 -3.00371644e-10  6.21548799e-27
 -5.91443432e-59  5.71907205e-60]
energy per atom =  -4.449999919804188
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8121, 0, 0], [0, 2.8121, 0], [0, 0, 2.8121]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:17:02       -8.869631         0.624079
BFGS:    1 12:17:02       -8.883936         0.446963
BFGS:    2 12:17:02       -8.899900         0.033939
BFGS:    3 12:17:02       -8.899999         0.002068
BFGS:    4 12:17:02       -8.900000         0.000010
BFGS:    5 12:17:02       -8.900000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8324317351545707e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8590385482404534, 1.8025262372675513e-34, -2.0689943537636227e-33], [7.230714569339426e-34, 2.8590385482404534, 1.6827598422805497e-19], [-2.3125928561577863e-33, 1.6827598422804866e-19, 2.8590385482404534]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.83243174e-10 -2.83243174e-10 -2.83243174e-10  1.53720475e-25
  3.57985896e-60  6.78617327e-60]
energy per atom =  -4.449999919804186
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0