element(s):
['Al', 'Ti']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8781', '0.80422245', '0.83045666']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83045666 0.66091332 0.25      ]]
spacegroup =  194
cell =  [[5.8781, 0, 0], [-2.93905, 5.0905839259853, 0], [0, 0, 4.7273]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:40:45      -35.834916         0.459524
BFGS:    1 13:40:45      -35.852186         0.378657
BFGS:    2 13:40:46      -35.891428         0.193221
BFGS:    3 13:40:46      -35.892004         0.185602
BFGS:    4 13:40:46      -35.897142         0.081710
BFGS:    5 13:40:46      -35.899157         0.063383
BFGS:    6 13:40:46      -35.899981         0.070391
BFGS:    7 13:40:46      -35.900207         0.067840
BFGS:    8 13:40:47      -35.900580         0.058493
BFGS:    9 13:40:47      -35.901150         0.038930
BFGS:   10 13:40:47      -35.901744         0.031435
BFGS:   11 13:40:47      -35.902000         0.012237
BFGS:   12 13:40:48      -35.902036         0.001526
BFGS:   13 13:40:48      -35.902037         0.000183
BFGS:   14 13:40:48      -35.902037         0.000007
BFGS:   15 13:40:48      -35.902037         0.000000
BFGS:   16 13:40:48      -35.902037         0.000000
BFGS:   17 13:40:48      -35.902037         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.089011567313904e-09 eV/Angstrom
Maximum stress component: 6.469393844897995e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83422984 0.66845969 0.25      ]
 [0.33154031 0.16577016 0.25      ]
 [0.83422984 0.16577016 0.25      ]
 [0.16577015 0.33154031 0.75      ]
 [0.66845969 0.83422985 0.75      ]
 [0.16577015 0.83422985 0.75      ]]
cellpar =  Cell([[5.850907192448306, 9.42665759214089e-19, -6.126459165445123e-38], [-2.925453596224153, 5.0670342638453185, 1.028164888326492e-37], [1.0111830424640055e-36, 6.913959979251906e-36, 4.80215601497888]])
forces =  [[-6.00983326e-32  2.08186731e-32  9.86519047e-33]
 [ 6.61081659e-32 -3.12280097e-32 -9.86519047e-33]
 [-5.93260144e-26  2.08901157e-09 -7.39889285e-33]
 [-1.80913709e-09 -1.04450578e-09 -2.46629762e-33]
 [ 1.80913709e-09 -1.04450578e-09  4.93259524e-33]
 [-2.43158798e-25 -2.08901157e-09 -2.97597384e-47]
 [ 1.80913709e-09  1.04450578e-09 -4.31602083e-33]
 [-1.80913709e-09  1.04450578e-09  3.38232640e-47]]
stress =  [ 2.17080597e-11  2.17080597e-11 -6.46939384e-11  1.68853123e-34
 -2.92462189e-34  3.08970192e-27]
energy per atom =  -4.4877546623838125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0