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_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
==== 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 15:44:40       -9.973047        1.2202
BFGS:    1 15:44:41      -10.030309        1.0934
BFGS:    2 15:44:41      -10.131496        0.2816
BFGS:    3 15:44:41      -10.135673        0.1281
BFGS:    4 15:44:41      -10.135936        0.0819
BFGS:    5 15:44:41      -10.136136        0.0511
BFGS:    6 15:44:41      -10.136502        0.0458
BFGS:    7 15:44:41      -10.136652        0.0227
BFGS:    8 15:44:41      -10.136684        0.0053
BFGS:    9 15:44:41      -10.136686        0.0006
BFGS:   10 15:44:41      -10.136686        0.0000
BFGS:   11 15:44:41      -10.136686        0.0000
BFGS:   12 15:44:41      -10.136686        0.0000
BFGS:   13 15:44:41      -10.136686        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9293806272952124e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[8.32409697e-50 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([[4.017609182960259, -3.102598932961016e-36, 3.469910597806515e-32], [3.3603503369384675e-36, 4.017609182960259, 1.1556172473973549e-17], [9.208660546426242e-33, 7.991933985507665e-18, 2.825409093350643]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.26938409e-11 -2.26938409e-11 -2.92938063e-11 -1.60834234e-27
  2.67453097e-44 -2.41553522e-60]
energy per atom =  -3.378895253092763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0