element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6765']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6765, 0, 0], [0, 3.6765, 0], [0, 0, 3.6765]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:58:33      -13.243747        0.6018
BFGS:    1 13:58:33      -13.258527        0.5443
BFGS:    2 13:58:33      -13.315604        0.2187
BFGS:    3 13:58:33      -13.326847        0.0057
BFGS:    4 13:58:33      -13.326854        0.0002
BFGS:    5 13:58:33      -13.326855        0.0000
BFGS:    6 13:58:33      -13.326855        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.692022042120187e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.81874865e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.762079861481563, -1.7590432720481116e-32, 9.698985541806824e-34], [-8.280558907199806e-33, 3.762079861481563, -1.0599740760115286e-17], [-1.1098346521821732e-33, -1.0599740760115285e-17, 3.762079861481563]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.69202204e-13 -5.69202204e-13 -5.69202204e-13 -1.83207220e-30
 -2.90297425e-34  3.97987483e-52]
energy per atom =  -3.331713625940817
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0