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_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== 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 12:38:11      -34.971968         1.439444
BFGS:    1 12:38:11      -35.092571         1.342730
BFGS:    2 12:38:11      -35.280609         1.138901
BFGS:    3 12:38:11      -35.410935         1.013500
BFGS:    4 12:38:11      -35.516402         0.975345
BFGS:    5 12:38:11      -35.605565         0.947802
BFGS:    6 12:38:11      -35.678726         0.929519
BFGS:    7 12:38:11      -35.733642         0.917266
BFGS:    8 12:38:11      -35.775477         0.904576
BFGS:    9 12:38:11      -35.809371         0.887316
BFGS:   10 12:38:12      -35.839229         0.861478
BFGS:   11 12:38:12      -35.867163         0.820322
BFGS:   12 12:38:12      -35.893246         0.763079
BFGS:   13 12:38:12      -35.917756         0.690250
BFGS:   14 12:38:12      -35.940541         0.595229
BFGS:   15 12:38:12      -35.961210         0.484602
BFGS:   16 12:38:12      -35.979409         0.405512
BFGS:   17 12:38:12      -35.994780         0.275511
BFGS:   18 12:38:12      -36.004751         0.190920
BFGS:   19 12:38:12      -36.009767         0.095436
BFGS:   20 12:38:12      -36.011383         0.018547
BFGS:   21 12:38:12      -36.011456         0.008307
BFGS:   22 12:38:12      -36.011475         0.003486
BFGS:   23 12:38:12      -36.011480         0.001936
BFGS:   24 12:38:12      -36.011480         0.000380
BFGS:   25 12:38:12      -36.011480         0.000029
BFGS:   26 12:38:12      -36.011480         0.000001
BFGS:   27 12:38:12      -36.011480         0.000000
BFGS:   28 12:38:12      -36.011480         0.000000
Minimization converged after 28 steps.
Maximum force component: 8.349750082065595e-11 eV/Angstrom
Maximum stress component: 4.3182136087054367e-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      ]
 [0.82946053 0.65892107 0.25      ]
 [0.34107893 0.17053947 0.25      ]
 [0.82946053 0.17053947 0.25      ]
 [0.17053947 0.34107894 0.75      ]
 [0.65892106 0.82946053 0.75      ]
 [0.17053947 0.82946053 0.75      ]]
cellpar =  Cell([[5.379202930223568, -1.1329794042614118e-17, 1.6525688377368992e-36], [-2.689601465111784, 4.658526389685303, 8.40689096897914e-36], [-1.6124353730812363e-36, -7.71475150259902e-36, 4.072720589281091]])
forces =  [[ 1.54708855e-31 -1.14841542e-31 -1.80086552e-67]
 [-2.98367078e-31  2.10542827e-31  3.25632126e-67]
 [-1.47969678e-26 -8.34975008e-11 -1.33867085e-31]
 [ 7.23109569e-11  4.17487504e-11  6.69335427e-32]
 [-7.23109569e-11  4.17487504e-11  1.00400314e-31]
 [ 1.47969678e-26  8.34975008e-11  1.33867085e-31]
 [-7.23109569e-11 -4.17487504e-11 -6.69335427e-32]
 [ 7.23109569e-11 -4.17487504e-11 -1.00400314e-31]]
stress =  [-2.55822074e-11 -2.55822074e-11 -4.31821361e-11 -2.16553910e-33
 -7.50164748e-34  9.86372209e-28]
energy per atom =  -2.768166637788567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0