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 14:40:44       -7.756184        0.0316
BFGS:    1 14:40:44       -7.756222        0.0253
BFGS:    2 14:40:44       -7.756307        0.0019
BFGS:    3 14:40:44       -7.756307        0.0036
BFGS:    4 14:40:44       -7.756307        0.0000
BFGS:    5 14:40:44       -7.756307        0.0000
BFGS:    6 14:40:44       -7.756307        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.011489286227438e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Au']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2046581713301734, -1.0256743189929215e-32, 1.4581615669506188e-32], [1.0256676269673173e-32, 3.2046581713301734, -5.869111402154636e-20], [1.0526150425318629e-32, -5.869111402154638e-20, 3.2046581713301734]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.01148929e-11 -6.01148929e-11 -6.01148929e-11  4.00446156e-26
 -3.00052358e-34  6.66249858e-50]
energy per atom =  -3.8781537201583585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0