element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6669']
model name:
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6669, 0, 0], [0, 3.6669, 0], [0, 0, 3.6669]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:56      -17.904977         0.453993
BFGS:    1 16:40:56      -17.913169         0.387875
BFGS:    2 16:40:56      -17.934246         0.026151
BFGS:    3 16:40:56      -17.934335         0.001363
BFGS:    4 16:40:56      -17.934335         0.000004
BFGS:    5 16:40:56      -17.934335         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.236972206477299e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.88587596e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.65883404e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6281695021547353, -4.5802161181418055e-33, -3.9548661639385665e-33], [-9.873542948566784e-33, 3.6281695021547353, -2.7290218735772505e-20], [1.950926403416502e-34, -2.7290218735777946e-20, 3.6281695021547353]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.23697221e-11 -6.23697221e-11 -6.23697221e-11 -3.86694133e-28
 -1.17045666e-34 -1.60687418e-51]
energy per atom =  -4.483583840278337
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0