element(s):
['Al', 'Co']
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:
['5.1188', '0.88215988', '0.83576263']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83576263 0.67152526 0.25      ]]
spacegroup =  194
cell =  [[5.1188, 0, 0], [-2.5594, 4.4330108368918, 0], [0, 0, 4.5156]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:39:06      -33.192131         0.913292
BFGS:    1 12:39:06      -33.206024         0.904087
BFGS:    2 12:39:06      -33.253970         0.864178
BFGS:    3 12:39:06      -33.295689         0.813988
BFGS:    4 12:39:06      -33.332569         0.759077
BFGS:    5 12:39:07      -33.365566         0.697987
BFGS:    6 12:39:07      -33.395270         0.629242
BFGS:    7 12:39:07      -33.422012         0.551484
BFGS:    8 12:39:07      -33.445958         0.463670
BFGS:    9 12:39:07      -33.467192         0.365252
BFGS:   10 12:39:07      -33.485795         0.317695
BFGS:   11 12:39:08      -33.501928         0.338790
BFGS:   12 12:39:08      -33.515939         0.350541
BFGS:   13 12:39:08      -33.528556         0.345336
BFGS:   14 12:39:08      -33.539836         0.306565
BFGS:   15 12:39:08      -33.548315         0.242044
BFGS:   16 12:39:08      -33.554866         0.159964
BFGS:   17 12:39:08      -33.558462         0.149275
BFGS:   18 12:39:09      -33.563174         0.124068
BFGS:   19 12:39:09      -33.567665         0.089735
BFGS:   20 12:39:09      -33.570233         0.055547
BFGS:   21 12:39:09      -33.570735         0.013234
BFGS:   22 12:39:09      -33.570767         0.001745
BFGS:   23 12:39:09      -33.570768         0.000184
BFGS:   24 12:39:09      -33.570768         0.000016
BFGS:   25 12:39:09      -33.570768         0.000003
BFGS:   26 12:39:09      -33.570768         0.000000
BFGS:   27 12:39:10      -33.570768         0.000000
BFGS:   28 12:39:10      -33.570768         0.000000
Minimization converged after 28 steps.
Maximum force component: 5.184174919256937e-10 eV/Angstrom
Maximum stress component: 5.384739112326881e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83848808 0.67697616 0.25      ]
 [0.32302384 0.16151192 0.25      ]
 [0.83848808 0.16151192 0.25      ]
 [0.16151192 0.32302384 0.75      ]
 [0.67697616 0.83848808 0.75      ]
 [0.16151192 0.83848808 0.75      ]]
cellpar =  Cell([[5.2343517068839835, 8.715175832492339e-18, 1.6364163240551748e-38], [-2.6171758534419918, 4.5330815505039705, -1.8544717851147709e-38], [-1.5646777418010405e-36, -5.03811293762558e-37, 4.139474834111846]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.60717852e-69  5.17496137e-70 -4.25191389e-33]
 [-5.01656242e-27  5.18417492e-10 -8.50382777e-33]
 [-4.48962718e-10 -2.59208746e-10  1.70076555e-32]
 [ 4.48962718e-10 -2.59208746e-10 -2.12595694e-32]
 [-2.88096427e-26 -5.18417492e-10  2.55114833e-32]
 [ 4.48962718e-10  2.59208746e-10 -1.70076555e-32]
 [-4.48962718e-10  2.59208746e-10  1.70076555e-32]]
stress =  [2.07377367e-11 2.07377367e-11 5.38473911e-11 8.75831211e-34
 3.14706868e-48 3.52584014e-27]
energy per atom =  -4.1963460182053565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0