element(s):
['Co', 'Ti']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.6462']
Parameter values for parameter set 1:
['3.8418']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6462, 0, 0], [0, 3.6462, 0], [0, 0, 3.6462]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:46      -18.526547         0.516556
BFGS:    1 15:55:46      -18.537177         0.443960
BFGS:    2 15:55:46      -18.568266         0.021439
BFGS:    3 15:55:46      -18.568343         0.000979
BFGS:    4 15:55:46      -18.568343         0.000002
BFGS:    5 15:55:46      -18.568343         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0936400557346006e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.21795077e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.21795077e-16]
 [0.00000000e+00 1.21795077e-16 1.21795077e-16]]
cellpar =  Cell([[3.6962511129626536, 2.9485271849128785e-37, 1.2983296031421355e-33], [5.687181471424674e-33, 3.6962511129626536, -8.941472829290097e-18], [-3.3762004294563214e-34, -8.941472829290103e-18, 3.6962511129626536]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.09364006e-11 -2.09364006e-11 -2.09364006e-11  2.71335200e-27
 -9.02188990e-34  9.83158675e-50]
energy per atom =  -4.6420857664319755
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8418, 0, 0], [0, 3.8418, 0], [0, 0, 3.8418]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:49      -18.260954         1.292782
BFGS:    1 15:55:49      -18.328689         1.151676
BFGS:    2 15:55:49      -18.471778         0.752125
BFGS:    3 15:55:49      -18.552484         0.315915
BFGS:    4 15:55:49      -18.568197         0.031143
BFGS:    5 15:55:49      -18.568343         0.001110
BFGS:    6 15:55:49      -18.568343         0.000004
BFGS:    7 15:55:49      -18.568343         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.338145887085556e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ti']
basis =  [[3.70227966e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [0.00000000e+00 1.00000000e+00 1.00000000e+00]]
cellpar =  Cell([[3.6962511129468014, -4.363412905676148e-33, 2.3436073977706328e-33], [-1.5564688664591753e-32, 3.6962511129468014, -9.4388091952721e-18], [-1.980488570214055e-33, -9.438809195272094e-18, 3.6962511129468014]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.33814589e-11 -3.33814589e-11 -3.33814589e-11 -3.73637636e-29
  2.25547248e-34  2.26134637e-52]
energy per atom =  -4.6420857664319675
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0