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 15:39:17      -14.874571         0.271667
BFGS:    1 15:39:17      -14.877436         0.218378
BFGS:    2 15:39:17      -14.880798         0.086873
BFGS:    3 15:39:17      -14.881387         0.000371
BFGS:    4 15:39:17      -14.881387         0.000059
BFGS:    5 15:39:17      -14.881387         0.000000
BFGS:    6 15:39:17      -14.881387         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2222530385493888e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.06542657e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.49945459e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.49945459e-34]]
cellpar =  Cell([[3.853260950696387, 7.464251664567208e-33, 3.730021189005215e-32], [-1.9709221476910084e-32, 3.853260950696387, 2.4222425582238765e-18], [1.7840525997978558e-32, 2.422242558223904e-18, 3.853260950696387]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.22225304e-11 -2.22225304e-11 -2.22225304e-11  4.41941433e-27
  3.89139125e-35 -7.35281460e-51]
energy per atom =  -3.7203466539530696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0