element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tP3_123_e_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1364', '0.69686201']
model name:
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  123
cell =  [[4.1364, 0, 0], [0, 4.1364, 0], [0, 0, 2.8825]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:44:46       -9.816077        0.5951
BFGS:    1 15:44:46       -9.829313        0.5211
BFGS:    2 15:44:46       -9.871136        0.1180
BFGS:    3 15:44:46       -9.872077        0.0602
BFGS:    4 15:44:46       -9.872213        0.0735
BFGS:    5 15:44:46       -9.872534        0.0920
BFGS:    6 15:44:46       -9.872469        0.1165
BFGS:    7 15:44:46       -9.874258        0.1429
BFGS:    8 15:44:46       -9.876355        0.1224
BFGS:    9 15:44:46       -9.877752        0.0522
BFGS:   10 15:44:46       -9.878334        0.0136
BFGS:   11 15:44:46       -9.878383        0.0004
BFGS:   12 15:44:46       -9.878383        0.0000
BFGS:   13 15:44:46       -9.878383        0.0000
BFGS:   14 15:44:46       -9.878383        0.0000
BFGS:   15 15:44:46       -9.878383        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8082528127573274e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[3.96853701e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.327164695552938, 8.368405394724864e-37, -4.689424350765344e-32], [1.0861807384877241e-35, 4.327164695552938, -2.7668977997056638e-17], [1.4666554273747627e-32, -1.8563943404915144e-17, 2.8299805557686746]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.80825281e-12  2.80825281e-12 -1.20329672e-12 -1.46628202e-28
 -1.00654590e-33 -1.07503730e-49]
energy per atom =  -3.2927944647357177
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0