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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 15:43:41       -8.771132        1.0551
BFGS:    1 15:43:41       -8.812719        0.9537
BFGS:    2 15:43:41       -8.919928        0.6402
BFGS:    3 15:43:41       -8.983818        0.3516
BFGS:    4 15:43:41       -9.006851        0.0916
BFGS:    5 15:43:41       -9.007141        0.1092
BFGS:    6 15:43:42       -9.007865        0.1346
BFGS:    7 15:43:42       -9.009886        0.1763
BFGS:    8 15:43:42       -9.014375        0.2205
BFGS:    9 15:43:42       -9.018465        0.2117
BFGS:   10 15:43:42       -9.022535        0.1451
BFGS:   11 15:43:42       -9.026124        0.0338
BFGS:   12 15:43:42       -9.026399        0.0015
BFGS:   13 15:43:42       -9.026400        0.0001
BFGS:   14 15:43:42       -9.026400        0.0000
BFGS:   15 15:43:42       -9.026400        0.0000
BFGS:   16 15:43:43       -9.026400        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.283080377928807e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[7.24101376e-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([[4.5031994918601805, -1.4302740294449885e-35, 2.2964160952234475e-32], [-1.5839456873804122e-35, 4.503199491860181, -9.626804856510147e-18], [-1.237011508741338e-32, -6.738720665847193e-18, 2.8325871474766964]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.28308038e-11 -5.28308038e-11  2.73455658e-11  2.04227199e-26
 -6.03943081e-34 -1.68705144e-49]
energy per atom =  -3.008800162068866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0