element(s):
['Al', 'Ti']
AFLOW prototype label:
AB2_cF12_216_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4686']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.4686, 0, 0], [0, 6.4686, 0], [0, 0, 6.4686]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:58:37      -47.045712         0.429037
BFGS:    1 13:58:37      -47.053453         0.412901
BFGS:    2 13:58:37      -47.105499         0.280973
BFGS:    3 13:58:37      -47.137731         0.148774
BFGS:    4 13:58:37      -47.150138         0.016698
BFGS:    5 13:58:37      -47.150297         0.000030
BFGS:    6 13:58:37      -47.150297         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.9663051367873923e-31 eV/Angstrom
Maximum stress component: 3.9580630168146815e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[6.381024990413795, 7.843061034893293e-38, -8.349666422306173e-33], [8.053558015666101e-38, 6.381024990413795, -6.7679189383724304e-18], [1.1444282882167374e-33, -6.767918938372441e-18, 6.381024990413795]])
forces =  [[ 3.27717523e-33  3.47587673e-51 -3.27717523e-33]
 [-1.17559670e-66 -6.55435046e-33 -6.55435046e-33]
 [ 6.55435046e-33  4.91576284e-33 -8.19293807e-33]
 [-3.27717523e-33  3.27717523e-33 -1.31087009e-32]
 [ 6.34952700e-33  9.83152568e-33  1.31087009e-32]
 [ 1.31087009e-32 -6.55435046e-33  1.31087009e-32]
 [ 1.31087009e-32  6.55435046e-33  1.31087009e-32]
 [ 6.55435046e-33  9.83152568e-33  1.31087009e-32]
 [-9.83152568e-32 -1.44195710e-31 -1.61400880e-31]
 [ 5.72481548e-32  6.55435046e-33  2.94945771e-32]
 [-1.39279947e-31 -1.96630514e-31 -6.55435046e-33]
 [ 3.29141742e-65 -1.72051699e-32  1.83521813e-31]]
stress =  [ 3.95806302e-10  3.95806302e-10  3.95806302e-10  1.75773760e-25
 -1.89199326e-35  2.10063694e-51]
energy per atom =  -3.929191382113371
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0