element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:44      -14.874571         0.271667
BFGS:    1 15:30:44      -14.877436         0.218378
BFGS:    2 15:30:44      -14.880798         0.086873
BFGS:    3 15:30:44      -14.881387         0.000371
BFGS:    4 15:30:44      -14.881387         0.000059
BFGS:    5 15:30:44      -14.881387         0.000000
BFGS:    6 15:30:44      -14.881387         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2221867802104426e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.02103380e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.99636396e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.99818198e-35]]
cellpar =  Cell([[3.8532609506963875, -7.530311180932497e-33, -3.993099924685799e-35], [-2.707102943853351e-33, 3.8532609506963875, 2.4229864987311956e-18], [1.6929842252200746e-32, 2.42298649873118e-18, 3.8532609506963875]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.22218678e-11 -2.22218678e-11 -2.22218678e-11  8.71351163e-27
 -1.38360578e-34  2.69069107e-50]
energy per atom =  -3.720346653953068
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0