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:
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
==== 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 13:57:49      -17.969524        1.1297
BFGS:    1 13:57:49      -18.021150        0.9990
BFGS:    2 13:57:49      -18.138515        0.5524
BFGS:    3 13:57:49      -18.182932        0.0244
BFGS:    4 13:57:49      -18.183016        0.0001
BFGS:    5 13:57:49      -18.183016        0.0000
BFGS:    6 13:57:49      -18.183016        0.0000
BFGS:    7 13:57:49      -18.183016        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1790447510564395e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.59798494e-33]]
cellpar =  Cell([[3.55832075231449, -1.4969121041734349e-34, 5.316735056703344e-33], [-8.928767786057964e-33, 3.55832075231449, -3.180244100331024e-17], [8.403829041925172e-33, -3.180244100331024e-17, 3.55832075231449]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.17904475e-13 -3.17904475e-13 -3.17904475e-13 -4.59793152e-29
  1.01404923e-35  8.51037083e-52]
energy per atom =  -4.54575392339635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0