element(s):
['Al', 'Au']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2082']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2082, 0, 0], [0, 3.2082, 0], [0, 0, 3.2082]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:17:29       -7.756184         0.031628
BFGS:    1 11:17:29       -7.756222         0.025280
BFGS:    2 11:17:29       -7.756307         0.001868
BFGS:    3 11:17:29       -7.756307         0.003608
BFGS:    4 11:17:29       -7.756307         0.000048
BFGS:    5 11:17:29       -7.756307         0.000001
BFGS:    6 11:17:29       -7.756307         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.011656075192509e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Au']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2046581713301725, 2.5640535598908513e-33, 5.00088424097172e-33], [7.692505142791845e-33, 3.2046581713301725, -7.06652259475982e-20], [1.3102185757146756e-32, -7.066522594760077e-20, 3.2046581713301725]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.01165608e-11 -6.01165608e-11 -6.01165608e-11  1.07081319e-26
  0.00000000e+00  1.58249049e-59]
energy per atom =  -3.878153720158359
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0