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 14:50:42      -47.045712         0.429037
BFGS:    1 14:50:42      -47.053453         0.412901
BFGS:    2 14:50:42      -47.105499         0.280973
BFGS:    3 14:50:42      -47.137731         0.148774
BFGS:    4 14:50:42      -47.150138         0.016698
BFGS:    5 14:50:42      -47.150297         0.000030
BFGS:    6 14:50:42      -47.150297         0.000000
Minimization converged after 6 steps.
Maximum force component: 3.0805447143002467e-31 eV/Angstrom
Maximum stress component: 3.9580593925594846e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 3.91831450e-39 3.91831450e-39]
 [1.90208810e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.70197740e-38 0.00000000e+00]
 [5.64367389e-37 5.00000000e-01 0.00000000e+00]
 [4.53544904e-37 1.50910704e-35 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.381024990413793, -4.134055829038916e-35, 3.956788728279806e-36], [-9.53253124870252e-34, 6.381024990413793, 5.519926424913717e-19], [1.8155062885460503e-34, 5.519926424913715e-19, 6.381024990413793]])
forces =  [[-1.91239452e-69  1.28014657e-35  1.10739496e-54]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.55435046e-33  6.55435046e-33 -9.83152568e-33]
 [ 6.55435046e-33 -6.55435046e-33 -6.55435046e-33]
 [ 6.55435046e-33 -6.55435046e-33 -1.06508195e-32]
 [-6.55435046e-33  5.73505665e-33 -6.55435046e-33]
 [ 4.58804532e-32 -6.55435046e-32 -5.89891541e-32]
 [ 4.58804532e-32 -7.37364426e-32 -1.52388648e-31]
 [-2.08919921e-32 -6.55435046e-33 -3.08054471e-31]
 [ 6.55435046e-32 -8.19293807e-32  1.24532659e-31]]
stress =  [ 3.95805939e-10  3.95805939e-10  3.95805939e-10  1.43714238e-26
  2.52265769e-35 -4.67301901e-52]
energy per atom =  -3.92919138211337
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0