element(s):
['Co', 'Ti']
AFLOW prototype label:
A3B_hP8_194_h_c
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:
['5.2544', '0.89776188', '0.83505739']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.83505739 0.67011478 0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.2544, 0, 0], [-2.6272, 4.550443881645, 0], [0, 0, 4.7172]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:54:42      -36.308747         1.806231
BFGS:    1 14:54:42      -36.370251         1.753381
BFGS:    2 14:54:42      -36.481009         1.649125
BFGS:    3 14:54:42      -36.581345         1.542320
BFGS:    4 14:54:43      -36.671578         1.433286
BFGS:    5 14:54:43      -36.752061         1.322307
BFGS:    6 14:54:43      -36.823142         1.208655
BFGS:    7 14:54:43      -36.885123         1.091959
BFGS:    8 14:54:43      -36.938340         0.972319
BFGS:    9 14:54:43      -36.983180         0.849712
BFGS:   10 14:54:43      -37.020098         0.723986
BFGS:   11 14:54:43      -37.049630         0.594902
BFGS:   12 14:54:43      -37.072451         0.462277
BFGS:   13 14:54:43      -37.089488         0.376880
BFGS:   14 14:54:43      -37.102181         0.425414
BFGS:   15 14:54:43      -37.112950         0.452265
BFGS:   16 14:54:43      -37.125405         0.443735
BFGS:   17 14:54:43      -37.143118         0.379593
BFGS:   18 14:54:43      -37.165768         0.231013
BFGS:   19 14:54:43      -37.179210         0.109252
BFGS:   20 14:54:43      -37.180893         0.032238
BFGS:   21 14:54:43      -37.181071         0.012939
BFGS:   22 14:54:43      -37.181094         0.009410
BFGS:   23 14:54:43      -37.181106         0.005434
BFGS:   24 14:54:43      -37.181114         0.001461
BFGS:   25 14:54:43      -37.181116         0.000372
BFGS:   26 14:54:43      -37.181116         0.000061
BFGS:   27 14:54:43      -37.181116         0.000005
BFGS:   28 14:54:43      -37.181116         0.000000
BFGS:   29 14:54:43      -37.181116         0.000000
Minimization converged after 29 steps.
Maximum force component: 7.725368840832915e-10 eV/Angstrom
Maximum stress component: 3.040455720166327e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Ti', 'Ti']
basis =  [[0.83823876 0.67647752 0.25      ]
 [0.3235225  0.16176126 0.25      ]
 [0.83823876 0.16176126 0.25      ]
 [0.16176125 0.3235225  0.75      ]
 [0.67647751 0.83823876 0.75      ]
 [0.16176125 0.83823876 0.75      ]
 [0.33333334 0.66666668 0.25      ]
 [0.66666667 0.33333334 0.75      ]]
cellpar =  Cell([[5.244261907405307, -3.699032276919985e-18, 3.0737737028833626e-38], [-2.6221309537026536, 4.541664035912032, -1.0055762073223396e-37], [3.355447703149721e-36, 2.498856258182262e-36, 4.219221030740623]])
forces =  [[ 6.82792890e-27  7.72536884e-10 -1.44906036e-47]
 [-6.69036567e-10 -3.86268442e-10  1.38682438e-31]
 [ 6.69036567e-10 -3.86268442e-10 -1.38682438e-31]
 [-1.42388922e-25 -7.72536884e-10  1.44906036e-47]
 [ 6.69036567e-10  3.86268442e-10 -1.38682438e-31]
 [-6.69036567e-10  3.86268442e-10  1.38682438e-31]
 [-4.84803890e-32  9.33005522e-33  1.38682438e-31]
 [ 1.18507618e-31 -9.33005522e-32 -1.38682438e-31]]
stress =  [ 1.24090010e-11  1.24090010e-11 -3.04045572e-10 -1.71530720e-33
  3.71374902e-34 -1.70145006e-27]
energy per atom =  -4.647639459979812
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0