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:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== 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 09:07:11      -35.388499        2.0339
BFGS:    1 09:07:11      -35.462327        2.0005
BFGS:    2 09:07:11      -35.580916        1.9376
BFGS:    3 09:07:11      -35.690315        1.8680
BFGS:    4 09:07:11      -35.791267        1.7918
BFGS:    5 09:07:11      -35.884385        1.7089
BFGS:    6 09:07:11      -35.970167        1.6194
BFGS:    7 09:07:11      -36.049016        1.5232
BFGS:    8 09:07:11      -36.121249        1.4202
BFGS:    9 09:07:11      -36.187112        1.3106
BFGS:   10 09:07:11      -36.246789        1.1941
BFGS:   11 09:07:11      -36.300414        1.0709
BFGS:   12 09:07:11      -36.348079        0.9410
BFGS:   13 09:07:11      -36.389854        0.8045
BFGS:   14 09:07:11      -36.425799        0.6614
BFGS:   15 09:07:11      -36.455993        0.5123
BFGS:   16 09:07:11      -36.480569        0.4024
BFGS:   17 09:07:11      -36.499797        0.4146
BFGS:   18 09:07:11      -36.514256        0.4103
BFGS:   19 09:07:11      -36.525391        0.3753
BFGS:   20 09:07:11      -36.533879        0.3091
BFGS:   21 09:07:11      -36.545562        0.1728
BFGS:   22 09:07:11      -36.551427        0.1032
BFGS:   23 09:07:11      -36.553237        0.0859
BFGS:   24 09:07:11      -36.554090        0.0563
BFGS:   25 09:07:11      -36.554722        0.0346
BFGS:   26 09:07:11      -36.554979        0.0172
BFGS:   27 09:07:11      -36.555023        0.0031
BFGS:   28 09:07:11      -36.555025        0.0004
BFGS:   29 09:07:11      -36.555025        0.0000
BFGS:   30 09:07:11      -36.555025        0.0000
BFGS:   31 09:07:11      -36.555025        0.0000
BFGS:   32 09:07:11      -36.555025        0.0000
BFGS:   33 09:07:11      -36.555025        0.0000
Minimization converged after 33 steps.
Maximum force component: 5.393056899588074e-10 eV/Angstrom
Maximum stress component: 6.590219449014614e-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      ]
 [0.83028684 0.66057369 0.25      ]
 [0.33942631 0.16971316 0.25      ]
 [0.83028684 0.16971316 0.25      ]
 [0.16971316 0.33942632 0.75      ]
 [0.66057368 0.83028684 0.75      ]
 [0.16971316 0.83028684 0.75      ]]
cellpar =  Cell([[5.142895832712499, 8.006404939073055e-18, 9.872178201690736e-38], [-2.5714479163562496, 4.453878440146149, -6.7171306031628294e-37], [-2.4077178676897935e-36, -1.0791361779224298e-35, 3.9870194494716786]])
forces =  [[-1.69042894e-31 -1.46395441e-31  1.72113142e-68]
 [ 8.45214471e-32  1.46395441e-31 -1.88337674e-68]
 [ 6.84721953e-26 -5.39305690e-10 -6.55250786e-32]
 [ 4.67052428e-10  2.69652845e-10 -6.55250786e-32]
 [-4.67052428e-10  2.69652845e-10 -6.55250786e-32]
 [ 4.96969637e-26  5.39305690e-10  3.27625393e-31]
 [-4.67052428e-10 -2.69652845e-10 -6.55250786e-32]
 [ 4.67052428e-10 -2.69652845e-10  6.55250786e-32]]
stress =  [-3.67974653e-11 -3.67974653e-11  6.59021945e-11 -5.78432251e-34
 -1.00187405e-33  1.83006843e-26]
energy per atom =  -4.5693781078157025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0